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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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608498 |
5kpe ![]() ![]() |
30128 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 4.314 -17.798 -5.392 2 H2 MET 1 2H MET 1 4.646 -17.407 -3.783 3 H3 MET 1 3H MET 1 5.582 -18.556 -4.575 4 HA MET 1 HA MET 1 6.381 -16.892 -6.111 5 HB2 MET 1 2HB MET 1 5.921 -14.501 -5.668 6 HB3 MET 1 3HB MET 1 4.421 -15.372 -5.950 7 HG2 MET 1 2HG MET 1 3.926 -15.383 -3.570 8 HG3 MET 1 3HG MET 1 5.483 -14.634 -3.210 9 HE1 MET 1 1HE MET 1 4.430 -12.663 -1.797 10 HE2 MET 1 2HE MET 1 2.853 -13.429 -2.002 11 HE3 MET 1 3HE MET 1 3.049 -11.713 -2.346 12 H GLN 2 H GLN 2 8.501 -16.574 -5.654 13 HA GLN 2 HA GLN 2 9.414 -16.004 -2.902 14 HB2 GLN 2 2HB GLN 2 11.664 -16.446 -3.730 15 HB3 GLN 2 3HB GLN 2 10.604 -17.766 -4.222 16 HG2 GLN 2 2HG GLN 2 10.421 -16.683 -6.498 17 HG3 GLN 2 3HG GLN 2 11.616 -15.497 -5.973 18 HE21 GLN 2 1HE2 GLN 2 11.076 -18.842 -6.824 19 HE22 GLN 2 2HE2 GLN 2 12.739 -19.265 -7.027 20 H ASP 3 H ASP 3 8.311 -14.418 -5.566 21 HA ASP 3 HA ASP 3 10.148 -12.174 -5.720 22 HB2 ASP 3 2HB ASP 3 7.450 -12.609 -7.088 23 HB3 ASP 3 3HB ASP 3 8.667 -11.417 -7.546 24 H ILE 4 H ILE 4 9.564 -12.050 -3.268 25 HA ILE 4 HA ILE 4 7.047 -10.974 -2.449 26 HB ILE 4 HB ILE 4 9.704 -11.089 -0.950 27 HG12 ILE 4 2HG1 ILE 4 8.939 -13.347 -1.630 28 HG13 ILE 4 3HG1 ILE 4 8.854 -13.154 0.115 29 HG21 ILE 4 1HG2 ILE 4 8.379 -10.870 1.122 30 HG22 ILE 4 2HG2 ILE 4 6.908 -10.679 0.166 31 HG23 ILE 4 3HG2 ILE 4 8.182 -9.461 0.079 32 HD11 ILE 4 1HD1 ILE 4 6.533 -13.046 -1.809 33 HD12 ILE 4 2HD1 ILE 4 6.423 -12.826 -0.058 34 HD13 ILE 4 3HD1 ILE 4 6.954 -14.369 -0.725 35 H VAL 5 H VAL 5 10.180 -9.612 -3.348 36 HA VAL 5 HA VAL 5 9.812 -6.949 -2.383 37 HB VAL 5 HB VAL 5 11.562 -7.815 -4.734 38 HG11 VAL 5 1HG1 VAL 5 11.353 -5.373 -4.500 39 HG12 VAL 5 2HG1 VAL 5 12.995 -5.904 -4.131 40 HG13 VAL 5 3HG1 VAL 5 11.889 -5.479 -2.820 41 HG21 VAL 5 1HG2 VAL 5 12.033 -9.266 -2.798 42 HG22 VAL 5 2HG2 VAL 5 12.301 -7.845 -1.786 43 HG23 VAL 5 3HG2 VAL 5 13.396 -8.192 -3.127 44 H GLU 6 H GLU 6 9.329 -8.499 -5.537 45 HA GLU 6 HA GLU 6 8.447 -6.253 -7.009 46 HB2 GLU 6 2HB GLU 6 9.210 -8.747 -7.734 47 HB3 GLU 6 3HB GLU 6 7.476 -9.032 -7.745 48 HG2 GLU 6 2HG GLU 6 8.985 -6.966 -9.386 49 HG3 GLU 6 3HG GLU 6 8.332 -8.485 -9.983 50 H ALA 7 H ALA 7 6.747 -8.832 -5.280 51 HA ALA 7 HA ALA 7 4.098 -8.061 -5.891 52 HB1 ALA 7 1HB ALA 7 5.119 -9.725 -3.570 53 HB2 ALA 7 2HB ALA 7 4.699 -10.333 -5.173 54 HB3 ALA 7 3HB ALA 7 3.447 -9.650 -4.131 55 H ALA 8 H ALA 8 6.307 -7.145 -3.278 56 HA ALA 8 HA ALA 8 4.370 -5.918 -1.579 57 HB1 ALA 8 1HB ALA 8 7.363 -5.473 -1.697 58 HB2 ALA 8 2HB ALA 8 6.537 -6.708 -0.744 59 HB3 ALA 8 3HB ALA 8 6.293 -4.999 -0.374 60 H LYS 9 H LYS 9 6.498 -4.750 -4.154 61 HA LYS 9 HA LYS 9 6.007 -1.990 -3.974 62 HB2 LYS 9 2HB LYS 9 7.773 -2.884 -5.432 63 HB3 LYS 9 3HB LYS 9 6.575 -3.708 -6.427 64 HG2 LYS 9 2HG LYS 9 5.616 -1.410 -6.975 65 HG3 LYS 9 3HG LYS 9 7.032 -0.716 -6.179 66 HD2 LYS 9 2HD LYS 9 8.507 -1.807 -7.812 67 HD3 LYS 9 3HD LYS 9 7.121 -2.602 -8.571 68 HE2 LYS 9 2HE LYS 9 6.200 -0.346 -9.144 69 HE3 LYS 9 3HE LYS 9 7.661 0.390 -8.481 70 HZ1 LYS 9 1HZ LYS 9 7.802 0.196 -10.866 71 HZ2 LYS 9 2HZ LYS 9 7.529 -1.469 -10.794 72 HZ3 LYS 9 3HZ LYS 9 8.947 -0.818 -10.147 73 H GLN 10 H GLN 10 4.477 -4.467 -6.024 74 HA GLN 10 HA GLN 10 2.469 -2.891 -7.176 75 HB2 GLN 10 2HB GLN 10 2.579 -5.893 -6.674 76 HB3 GLN 10 3HB GLN 10 1.362 -5.113 -7.689 77 HG2 GLN 10 2HG GLN 10 4.364 -5.113 -8.178 78 HG3 GLN 10 3HG GLN 10 3.174 -6.089 -9.039 79 HE21 GLN 10 1HE2 GLN 10 1.787 -5.072 -10.523 80 HE22 GLN 10 2HE2 GLN 10 2.098 -3.492 -11.145 81 H ALA 11 H ALA 11 2.564 -4.694 -4.170 82 HA ALA 11 HA ALA 11 -0.163 -4.583 -3.461 83 HB1 ALA 11 1HB ALA 11 2.266 -4.811 -1.651 84 HB2 ALA 11 2HB ALA 11 1.419 -6.157 -2.417 85 HB3 ALA 11 3HB ALA 11 0.602 -5.179 -1.197 86 H ALA 12 H ALA 12 2.622 -2.534 -2.616 87 HA ALA 12 HA ALA 12 1.332 -0.808 -0.813 88 HB1 ALA 12 1HB ALA 12 3.770 -0.262 -2.538 89 HB2 ALA 12 2HB ALA 12 3.776 -1.024 -0.943 90 HB3 ALA 12 3HB ALA 12 3.281 0.662 -1.116 91 H ILE 13 H ILE 13 2.096 -0.380 -4.280 92 HA ILE 13 HA ILE 13 0.949 2.179 -4.616 93 HB ILE 13 HB ILE 13 1.344 0.026 -6.753 94 HG12 ILE 13 2HG1 ILE 13 3.280 2.243 -5.914 95 HG13 ILE 13 3HG1 ILE 13 3.450 0.544 -5.492 96 HG21 ILE 13 1HG2 ILE 13 1.390 1.867 -8.388 97 HG22 ILE 13 2HG2 ILE 13 1.135 3.046 -7.099 98 HG23 ILE 13 3HG2 ILE 13 -0.130 1.885 -7.497 99 HD11 ILE 13 1HD1 ILE 13 4.926 1.157 -7.312 100 HD12 ILE 13 2HD1 ILE 13 3.555 1.678 -8.290 101 HD13 ILE 13 3HD1 ILE 13 3.734 -0.024 -7.852 102 H ALA 14 H ALA 14 -0.384 -1.104 -4.990 103 HA ALA 14 HA ALA 14 -2.888 -0.437 -6.142 104 HB1 ALA 14 1HB ALA 14 -3.579 -2.711 -5.494 105 HB2 ALA 14 2HB ALA 14 -2.132 -2.862 -4.490 106 HB3 ALA 14 3HB ALA 14 -1.976 -2.701 -6.239 107 H ILE 15 H ILE 15 -1.814 -0.663 -2.780 108 HA ILE 15 HA ILE 15 -4.306 -0.344 -1.487 109 HB ILE 15 HB ILE 15 -1.448 0.282 -0.645 110 HG12 ILE 15 2HG1 ILE 15 -3.413 -1.867 0.280 111 HG13 ILE 15 3HG1 ILE 15 -2.112 -2.110 -0.876 112 HG21 ILE 15 1HG2 ILE 15 -2.831 1.890 0.585 113 HG22 ILE 15 2HG2 ILE 15 -2.202 0.658 1.677 114 HG23 ILE 15 3HG2 ILE 15 -3.882 0.588 1.145 115 HD11 ILE 15 1HD1 ILE 15 -0.469 -1.642 0.897 116 HD12 ILE 15 2HD1 ILE 15 -1.516 -3.007 1.279 117 HD13 ILE 15 3HD1 ILE 15 -1.791 -1.447 2.053 118 H PHE 16 H PHE 16 -1.927 2.069 -2.672 119 HA PHE 16 HA PHE 16 -3.427 4.389 -1.934 120 HB2 PHE 16 2HB PHE 16 -1.260 4.058 -4.052 121 HB3 PHE 16 3HB PHE 16 -1.920 5.611 -3.543 122 HD1 PHE 16 HD1 PHE 16 -1.748 6.171 -0.990 123 HD2 PHE 16 HD2 PHE 16 0.627 3.191 -2.925 124 HE1 PHE 16 HE1 PHE 16 -0.105 6.281 0.835 125 HE2 PHE 16 HE2 PHE 16 2.252 3.303 -1.098 126 HZ PHE 16 HZ PHE 16 1.893 4.846 0.784 127 H GLN 17 H GLN 17 -3.495 2.272 -4.760 128 HA GLN 17 HA GLN 17 -5.124 3.883 -6.452 129 HB2 GLN 17 2HB GLN 17 -4.853 0.854 -6.363 130 HB3 GLN 17 3HB GLN 17 -5.664 1.752 -7.647 131 HG2 GLN 17 2HG GLN 17 -3.523 2.847 -8.207 132 HG3 GLN 17 3HG GLN 17 -2.722 1.920 -6.941 133 HE21 GLN 17 1HE2 GLN 17 -1.329 0.880 -8.362 134 HE22 GLN 17 2HE2 GLN 17 -1.851 -0.318 -9.485 135 H LEU 18 H LEU 18 -5.836 1.593 -3.841 136 HA LEU 18 HA LEU 18 -8.677 1.641 -4.223 137 HB2 LEU 18 2HB LEU 18 -7.059 0.811 -1.789 138 HB3 LEU 18 3HB LEU 18 -8.801 0.621 -1.938 139 HG LEU 18 HG LEU 18 -6.617 -0.869 -3.437 140 HD11 LEU 18 1HD1 LEU 18 -7.221 -1.767 -1.257 141 HD12 LEU 18 2HD1 LEU 18 -7.719 -2.862 -2.543 142 HD13 LEU 18 3HD1 LEU 18 -8.921 -1.852 -1.732 143 HD21 LEU 18 1HD2 LEU 18 -8.282 -0.257 -5.130 144 HD22 LEU 18 2HD2 LEU 18 -9.576 -0.923 -4.129 145 HD23 LEU 18 3HD2 LEU 18 -8.330 -1.985 -4.795 146 H TRP 19 H TRP 19 -6.402 3.588 -2.306 147 HA TRP 19 HA TRP 19 -8.284 4.890 -0.637 148 HB2 TRP 19 2HB TRP 19 -5.535 5.771 -1.578 149 HB3 TRP 19 3HB TRP 19 -6.474 6.670 -0.390 150 HD1 TRP 19 HD1 TRP 19 -6.986 3.079 0.343 151 HE1 TRP 19 HE1 TRP 19 -5.432 2.309 2.232 152 HE3 TRP 19 HE3 TRP 19 -3.835 7.102 0.487 153 HZ2 TRP 19 HZ2 TRP 19 -3.182 3.274 3.624 154 HZ3 TRP 19 HZ3 TRP 19 -2.011 7.111 2.146 155 HH2 TRP 19 HH2 TRP 19 -1.693 5.233 3.684 156 H LYS 20 H LYS 20 -7.265 5.556 -3.927 157 HA LYS 20 HA LYS 20 -8.870 8.007 -4.099 158 HB2 LYS 20 2HB LYS 20 -7.945 8.247 -6.355 159 HB3 LYS 20 3HB LYS 20 -6.653 7.971 -5.190 160 HG2 LYS 20 2HG LYS 20 -6.561 5.585 -5.888 161 HG3 LYS 20 3HG LYS 20 -7.814 5.901 -7.087 162 HD2 LYS 20 2HD LYS 20 -5.636 5.880 -8.166 163 HD3 LYS 20 3HD LYS 20 -6.305 7.511 -8.223 164 HE2 LYS 20 2HE LYS 20 -4.842 8.183 -6.353 165 HE3 LYS 20 3HE LYS 20 -4.210 6.536 -6.244 166 HZ1 LYS 20 1HZ LYS 20 -3.945 8.332 -8.597 167 HZ2 LYS 20 2HZ LYS 20 -3.323 6.770 -8.479 168 HZ3 LYS 20 3HZ LYS 20 -2.724 7.993 -7.482 169 H ASN 21 H ASN 21 -9.015 4.609 -5.001 170 HA ASN 21 HA ASN 21 -11.771 4.772 -5.876 171 HB2 ASN 21 2HB ASN 21 -10.504 5.475 -7.935 172 HB3 ASN 21 3HB ASN 21 -9.640 3.949 -7.905 173 HD21 ASN 21 1HD2 ASN 21 -10.727 2.053 -8.553 174 HD22 ASN 21 2HD2 ASN 21 -12.250 2.101 -9.372 175 HA PRO 22 HA PRO 22 -10.539 0.821 -3.719 176 HB2 PRO 22 2HB PRO 22 -12.847 0.496 -2.261 177 HB3 PRO 22 3HB PRO 22 -11.546 1.606 -1.774 178 HG2 PRO 22 2HG PRO 22 -14.116 2.237 -3.202 179 HG3 PRO 22 3HG PRO 22 -13.341 3.091 -1.848 180 HD2 PRO 22 2HD PRO 22 -13.116 3.967 -4.415 181 HD3 PRO 22 3HD PRO 22 -11.823 4.194 -3.221 182 H THR 23 H THR 23 -12.805 1.472 -6.090 183 HA THR 23 HA THR 23 -13.821 -1.263 -6.366 184 HB THR 23 HB THR 23 -15.209 -0.250 -8.207 185 HG1 THR 23 HG1 THR 23 -15.156 2.121 -8.280 186 HG21 THR 23 1HG2 THR 23 -16.135 -0.311 -5.912 187 HG22 THR 23 2HG2 THR 23 -16.660 1.143 -6.763 188 HG23 THR 23 3HG2 THR 23 -15.376 1.246 -5.557 189 H ASP 24 H ASP 24 -10.945 0.078 -7.101 190 HA ASP 24 HA ASP 24 -10.604 -0.318 -9.892 191 HB2 ASP 24 2HB ASP 24 -9.060 1.037 -8.378 192 HB3 ASP 24 3HB ASP 24 -8.409 -0.486 -7.781 193 HA PRO 25 HA PRO 25 -10.932 -4.818 -9.694 194 HB2 PRO 25 2HB PRO 25 -10.389 -5.408 -12.335 195 HB3 PRO 25 3HB PRO 25 -11.934 -4.712 -11.797 196 HG2 PRO 25 2HG PRO 25 -9.547 -3.292 -12.963 197 HG3 PRO 25 3HG PRO 25 -11.270 -3.117 -13.378 198 HD2 PRO 25 2HD PRO 25 -10.059 -1.349 -11.742 199 HD3 PRO 25 3HD PRO 25 -11.746 -1.837 -11.472 200 H GLU 26 H GLU 26 -8.076 -3.328 -11.207 201 HA GLU 26 HA GLU 26 -6.475 -5.704 -11.241 202 HB2 GLU 26 2HB GLU 26 -5.513 -2.817 -11.387 203 HB3 GLU 26 3HB GLU 26 -4.654 -4.249 -11.960 204 HG2 GLU 26 2HG GLU 26 -7.173 -3.015 -13.130 205 HG3 GLU 26 3HG GLU 26 -5.562 -3.033 -13.847 206 H ALA 27 H ALA 27 -6.604 -2.811 -9.213 207 HA ALA 27 HA ALA 27 -4.479 -3.311 -7.476 208 HB1 ALA 27 1HB ALA 27 -5.563 -1.114 -7.728 209 HB2 ALA 27 2HB ALA 27 -5.512 -1.602 -6.033 210 HB3 ALA 27 3HB ALA 27 -7.021 -1.730 -6.947 211 H GLN 28 H GLN 28 -7.985 -3.862 -6.953 212 HA GLN 28 HA GLN 28 -7.763 -4.991 -4.377 213 HB2 GLN 28 2HB GLN 28 -10.100 -5.592 -4.590 214 HB3 GLN 28 3HB GLN 28 -9.869 -4.021 -5.348 215 HG2 GLN 28 2HG GLN 28 -9.825 -5.142 -7.578 216 HG3 GLN 28 3HG GLN 28 -10.145 -6.681 -6.787 217 HE21 GLN 28 1HE2 GLN 28 -11.645 -3.545 -5.994 218 HE22 GLN 28 2HE2 GLN 28 -13.240 -4.019 -6.455 219 H GLU 29 H GLU 29 -7.593 -6.444 -7.595 220 HA GLU 29 HA GLU 29 -8.043 -9.153 -6.820 221 HB2 GLU 29 2HB GLU 29 -8.427 -8.357 -9.137 222 HB3 GLU 29 3HB GLU 29 -6.700 -8.065 -9.329 223 HG2 GLU 29 2HG GLU 29 -6.346 -10.543 -8.887 224 HG3 GLU 29 3HG GLU 29 -8.093 -10.734 -8.972 225 H LEU 30 H LEU 30 -5.098 -7.299 -7.672 226 HA LEU 30 HA LEU 30 -3.323 -9.480 -7.393 227 HB2 LEU 30 2HB LEU 30 -1.521 -7.912 -7.672 228 HB3 LEU 30 3HB LEU 30 -2.819 -7.479 -8.756 229 HG LEU 30 HG LEU 30 -3.397 -5.690 -6.847 230 HD11 LEU 30 1HD1 LEU 30 -1.752 -6.428 -5.211 231 HD12 LEU 30 2HD1 LEU 30 -1.399 -4.788 -5.741 232 HD13 LEU 30 3HD1 LEU 30 -0.443 -6.136 -6.358 233 HD21 LEU 30 1HD2 LEU 30 -1.094 -5.303 -8.786 234 HD22 LEU 30 2HD2 LEU 30 -1.997 -4.013 -7.985 235 HD23 LEU 30 3HD2 LEU 30 -2.811 -5.071 -9.135 236 H LEU 31 H LEU 31 -4.407 -6.966 -5.137 237 HA LEU 31 HA LEU 31 -2.786 -7.555 -2.908 238 HB2 LEU 31 2HB LEU 31 -5.637 -6.479 -3.002 239 HB3 LEU 31 3HB LEU 31 -4.662 -6.534 -1.540 240 HG LEU 31 HG LEU 31 -4.026 -4.890 -4.018 241 HD11 LEU 31 1HD1 LEU 31 -5.934 -3.971 -2.806 242 HD12 LEU 31 2HD1 LEU 31 -4.522 -2.929 -2.646 243 HD13 LEU 31 3HD1 LEU 31 -5.005 -3.973 -1.303 244 HD21 LEU 31 1HD2 LEU 31 -1.992 -5.628 -2.877 245 HD22 LEU 31 2HD2 LEU 31 -2.596 -4.966 -1.355 246 HD23 LEU 31 3HD2 LEU 31 -2.235 -3.891 -2.709 247 H ASN 32 H ASN 32 -5.760 -9.049 -4.080 248 HA ASN 32 HA ASN 32 -6.297 -10.616 -1.738 249 HB2 ASN 32 2HB ASN 32 -8.016 -9.869 -3.444 250 HB3 ASN 32 3HB ASN 32 -7.342 -11.038 -4.571 251 HD21 ASN 32 1HD2 ASN 32 -9.541 -11.857 -4.589 252 HD22 ASN 32 2HD2 ASN 32 -10.066 -12.951 -3.358 253 H LYS 33 H LYS 33 -4.363 -11.023 -4.594 254 HA LYS 33 HA LYS 33 -4.081 -13.901 -4.425 255 HB2 LYS 33 2HB LYS 33 -2.675 -11.818 -6.149 256 HB3 LYS 33 3HB LYS 33 -2.478 -13.562 -6.332 257 HG2 LYS 33 2HG LYS 33 -4.787 -13.822 -6.999 258 HG3 LYS 33 3HG LYS 33 -5.146 -12.139 -6.612 259 HD2 LYS 33 2HD LYS 33 -4.935 -12.458 -9.042 260 HD3 LYS 33 3HD LYS 33 -3.678 -11.380 -8.433 261 HE2 LYS 33 2HE LYS 33 -2.035 -13.206 -8.542 262 HE3 LYS 33 3HE LYS 33 -3.294 -14.331 -9.057 263 HZ1 LYS 33 1HZ LYS 33 -1.972 -13.518 -10.920 264 HZ2 LYS 33 2HZ LYS 33 -2.425 -11.929 -10.573 265 HZ3 LYS 33 3HZ LYS 33 -3.588 -13.050 -11.066 266 H ILE 34 H ILE 34 -2.133 -11.040 -3.574 267 HA ILE 34 HA ILE 34 0.205 -12.747 -2.935 268 HB ILE 34 HB ILE 34 1.584 -10.724 -3.084 269 HG12 ILE 34 2HG1 ILE 34 -1.053 -9.243 -3.520 270 HG13 ILE 34 3HG1 ILE 34 0.129 -8.969 -2.251 271 HG21 ILE 34 1HG2 ILE 34 1.365 -10.296 -5.500 272 HG22 ILE 34 2HG2 ILE 34 -0.260 -10.987 -5.494 273 HG23 ILE 34 3HG2 ILE 34 1.137 -12.008 -5.140 274 HD11 ILE 34 1HD1 ILE 34 0.474 -8.337 -5.182 275 HD12 ILE 34 2HD1 ILE 34 1.706 -8.114 -3.935 276 HD13 ILE 34 3HD1 ILE 34 0.202 -7.200 -3.863 277 H LEU 35 H LEU 35 -1.879 -10.263 -1.479 278 HA LEU 35 HA LEU 35 -0.634 -10.649 1.174 279 HB2 LEU 35 2HB LEU 35 -2.844 -8.697 0.395 280 HB3 LEU 35 3HB LEU 35 -1.914 -8.699 1.887 281 HG LEU 35 HG LEU 35 -0.918 -7.938 -0.889 282 HD11 LEU 35 1HD1 LEU 35 -1.266 -6.253 1.606 283 HD12 LEU 35 2HD1 LEU 35 -2.292 -6.221 0.169 284 HD13 LEU 35 3HD1 LEU 35 -0.611 -5.707 0.056 285 HD21 LEU 35 1HD2 LEU 35 0.877 -9.096 0.281 286 HD22 LEU 35 2HD2 LEU 35 0.664 -8.058 1.694 287 HD23 LEU 35 3HD2 LEU 35 1.227 -7.374 0.165 288 H SER 36 H SER 36 -2.405 -10.608 2.993 289 HA SER 36 HA SER 36 -4.218 -12.776 2.724 290 HB2 SER 36 2HB SER 36 -4.090 -10.583 4.845 291 HB3 SER 36 3HB SER 36 -5.014 -12.079 4.986 292 HG SER 36 HG SER 36 -2.477 -12.657 4.334 293 HA PRO 37 HA PRO 37 -7.850 -10.688 0.937 294 HB2 PRO 37 2HB PRO 37 -9.437 -12.547 2.694 295 HB3 PRO 37 3HB PRO 37 -9.529 -12.300 0.937 296 HG2 PRO 37 2HG PRO 37 -8.400 -14.504 1.896 297 HG3 PRO 37 3HG PRO 37 -7.690 -13.666 0.496 298 HD2 PRO 37 2HD PRO 37 -6.795 -13.597 3.378 299 HD3 PRO 37 3HD PRO 37 -5.816 -13.734 1.898 300 H ASP 38 H ASP 38 -7.344 -11.094 4.351 301 HA ASP 38 HA ASP 38 -9.284 -9.350 5.444 302 HB2 ASP 38 2HB ASP 38 -6.508 -9.918 6.574 303 HB3 ASP 38 3HB ASP 38 -7.941 -9.438 7.480 304 H VAL 39 H VAL 39 -6.056 -8.823 4.100 305 HA VAL 39 HA VAL 39 -5.614 -6.206 5.125 306 HB VAL 39 HB VAL 39 -4.285 -7.611 2.762 307 HG11 VAL 39 1HG1 VAL 39 -2.445 -5.936 3.053 308 HG12 VAL 39 2HG1 VAL 39 -3.451 -5.069 4.218 309 HG13 VAL 39 3HG1 VAL 39 -3.961 -5.199 2.532 310 HG21 VAL 39 1HG2 VAL 39 -3.958 -8.783 4.922 311 HG22 VAL 39 2HG2 VAL 39 -3.335 -7.297 5.643 312 HG23 VAL 39 3HG2 VAL 39 -2.443 -8.088 4.340 313 H LEU 40 H LEU 40 -6.667 -7.352 1.863 314 HA LEU 40 HA LEU 40 -6.887 -4.811 0.657 315 HB2 LEU 40 2HB LEU 40 -8.042 -5.893 -1.139 316 HB3 LEU 40 3HB LEU 40 -6.897 -7.058 -0.512 317 HG LEU 40 HG LEU 40 -9.099 -7.849 0.891 318 HD11 LEU 40 1HD1 LEU 40 -11.117 -7.827 -0.489 319 HD12 LEU 40 2HD1 LEU 40 -10.316 -6.791 -1.675 320 HD13 LEU 40 3HD1 LEU 40 -10.627 -6.194 -0.044 321 HD21 LEU 40 1HD2 LEU 40 -9.431 -9.620 -0.739 322 HD22 LEU 40 2HD2 LEU 40 -7.718 -9.299 -0.481 323 HD23 LEU 40 3HD2 LEU 40 -8.515 -8.706 -1.941 324 H ASP 41 H ASP 41 -9.034 -6.603 2.749 325 HA ASP 41 HA ASP 41 -11.436 -5.172 2.203 326 HB2 ASP 41 2HB ASP 41 -11.383 -7.528 3.092 327 HB3 ASP 41 3HB ASP 41 -10.807 -6.903 4.637 328 H GLN 42 H GLN 42 -9.156 -5.144 4.996 329 HA GLN 42 HA GLN 42 -10.393 -3.000 6.362 330 HB2 GLN 42 2HB GLN 42 -8.310 -2.823 7.676 331 HB3 GLN 42 3HB GLN 42 -8.829 -4.495 7.513 332 HG2 GLN 42 2HG GLN 42 -7.110 -4.938 5.879 333 HG3 GLN 42 3HG GLN 42 -6.669 -3.234 5.805 334 HE21 GLN 42 1HE2 GLN 42 -4.527 -3.695 6.317 335 HE22 GLN 42 2HE2 GLN 42 -4.023 -4.143 7.907 336 H VAL 43 H VAL 43 -7.992 -3.028 3.760 337 HA VAL 43 HA VAL 43 -7.256 -0.290 3.858 338 HB VAL 43 HB VAL 43 -7.130 -2.307 1.575 339 HG11 VAL 43 1HG1 VAL 43 -7.346 -0.085 0.538 340 HG12 VAL 43 2HG1 VAL 43 -5.703 -0.691 0.326 341 HG13 VAL 43 3HG1 VAL 43 -6.039 0.538 1.550 342 HG21 VAL 43 1HG2 VAL 43 -4.922 -1.080 3.285 343 HG22 VAL 43 2HG2 VAL 43 -4.690 -2.261 1.993 344 HG23 VAL 43 3HG2 VAL 43 -5.567 -2.715 3.454 345 H ARG 44 H ARG 44 -9.804 -2.019 1.981 346 HA ARG 44 HA ARG 44 -10.550 0.258 0.441 347 HB2 ARG 44 2HB ARG 44 -12.395 -1.037 -0.430 348 HB3 ARG 44 3HB ARG 44 -10.990 -2.092 -0.303 349 HG2 ARG 44 2HG ARG 44 -11.890 -3.160 1.672 350 HG3 ARG 44 3HG ARG 44 -13.203 -1.992 1.764 351 HD2 ARG 44 2HD ARG 44 -14.076 -2.879 -0.402 352 HD3 ARG 44 3HD ARG 44 -12.818 -4.125 -0.355 353 HE ARG 44 HE ARG 44 -13.878 -4.618 1.963 354 HH11 ARG 44 1HH1 ARG 44 -15.740 -3.673 -0.865 355 HH12 ARG 44 2HH1 ARG 44 -17.166 -4.512 -0.353 356 HH21 ARG 44 1HH2 ARG 44 -15.727 -5.760 2.592 357 HH22 ARG 44 2HH2 ARG 44 -17.161 -5.699 1.612 358 H GLU 45 H GLU 45 -11.671 -0.973 3.563 359 HA GLU 45 HA GLU 45 -14.061 0.514 3.849 360 HB2 GLU 45 2HB GLU 45 -12.117 -0.290 6.064 361 HB3 GLU 45 3HB GLU 45 -13.811 0.145 6.282 362 HG2 GLU 45 2HG GLU 45 -12.778 -2.293 4.816 363 HG3 GLU 45 3HG GLU 45 -13.406 -2.280 6.454 364 H HIS 46 H HIS 46 -10.736 1.193 4.937 365 HA HIS 46 HA HIS 46 -11.259 3.837 5.913 366 HB2 HIS 46 2HB HIS 46 -8.631 2.414 5.325 367 HB3 HIS 46 3HB HIS 46 -8.753 3.971 6.142 368 HD1 HIS 46 HD1 HIS 46 -8.398 0.511 6.902 369 HD2 HIS 46 HD2 HIS 46 -10.497 3.655 8.605 370 HE1 HIS 46 HE1 HIS 46 -8.943 -0.225 9.234 371 HE2 HIS 46 HE2 HIS 46 -10.204 1.699 10.251 372 H ALA 47 H ALA 47 -10.432 2.500 2.849 373 HA ALA 47 HA ALA 47 -9.189 4.689 1.570 374 HB1 ALA 47 1HB ALA 47 -10.804 2.411 0.379 375 HB2 ALA 47 2HB ALA 47 -9.070 2.388 0.715 376 HB3 ALA 47 3HB ALA 47 -9.720 3.479 -0.508 377 H ARG 48 H ARG 48 -12.564 3.625 1.816 378 HA ARG 48 HA ARG 48 -13.797 5.600 0.233 379 HB2 ARG 48 2HB ARG 48 -14.892 4.157 2.684 380 HB3 ARG 48 3HB ARG 48 -15.863 5.066 1.522 381 HG2 ARG 48 2HG ARG 48 -15.216 3.465 -0.254 382 HG3 ARG 48 3HG ARG 48 -14.270 2.549 0.924 383 HD2 ARG 48 2HD ARG 48 -16.458 1.498 0.549 384 HD3 ARG 48 3HD ARG 48 -16.317 2.081 2.211 385 HE ARG 48 HE ARG 48 -17.588 3.961 0.410 386 HH11 ARG 48 1HH1 ARG 48 -18.184 1.238 2.565 387 HH12 ARG 48 2HH1 ARG 48 -19.854 1.631 2.800 388 HH21 ARG 48 1HH2 ARG 48 -19.779 4.465 0.740 389 HH22 ARG 48 2HH2 ARG 48 -20.762 3.465 1.762 390 H GLU 49 H GLU 49 -12.678 5.604 3.560 391 HA GLU 49 HA GLU 49 -14.007 8.007 4.400 392 HB2 GLU 49 2HB GLU 49 -11.682 6.510 5.687 393 HB3 GLU 49 3HB GLU 49 -12.658 7.763 6.463 394 HG2 GLU 49 2HG GLU 49 -14.660 6.305 6.229 395 HG3 GLU 49 3HG GLU 49 -13.643 5.049 5.517 396 H LEU 50 H LEU 50 -10.748 7.193 3.236 397 HA LEU 50 HA LEU 50 -9.617 9.817 3.620 398 HB2 LEU 50 2HB LEU 50 -8.620 7.504 1.909 399 HB3 LEU 50 3HB LEU 50 -7.683 8.928 2.348 400 HG LEU 50 HG LEU 50 -8.694 6.805 4.284 401 HD11 LEU 50 1HD1 LEU 50 -5.878 7.342 3.324 402 HD12 LEU 50 2HD1 LEU 50 -6.892 5.964 2.887 403 HD13 LEU 50 3HD1 LEU 50 -6.359 6.165 4.553 404 HD21 LEU 50 1HD2 LEU 50 -7.360 7.939 6.000 405 HD22 LEU 50 2HD2 LEU 50 -8.620 8.996 5.375 406 HD23 LEU 50 3HD2 LEU 50 -6.948 9.221 4.855 407 H GLN 51 H GLN 51 -11.235 8.124 1.011 408 HA GLN 51 HA GLN 51 -10.886 10.046 -1.064 409 HB2 GLN 51 2HB GLN 51 -11.575 7.709 -1.494 410 HB3 GLN 51 3HB GLN 51 -13.065 7.969 -0.593 411 HG2 GLN 51 2HG GLN 51 -13.748 9.657 -2.322 412 HG3 GLN 51 3HG GLN 51 -12.307 9.243 -3.244 413 HE21 GLN 51 1HE2 GLN 51 -12.195 7.196 -4.252 414 HE22 GLN 51 2HE2 GLN 51 -13.602 6.225 -4.505 415 H LYS 52 H LYS 52 -13.282 9.552 1.491 416 HA LYS 52 HA LYS 52 -15.044 11.700 0.744 417 HB2 LYS 52 2HB LYS 52 -15.751 9.643 1.995 418 HB3 LYS 52 3HB LYS 52 -14.835 10.202 3.387 419 HG2 LYS 52 2HG LYS 52 -16.325 12.181 3.559 420 HG3 LYS 52 3HG LYS 52 -17.226 11.610 2.158 421 HD2 LYS 52 2HD LYS 52 -18.533 10.972 4.033 422 HD3 LYS 52 3HD LYS 52 -17.742 9.492 3.498 423 HE2 LYS 52 2HE LYS 52 -16.841 11.219 5.833 424 HE3 LYS 52 3HE LYS 52 -17.776 9.733 5.972 425 HZ1 LYS 52 1HZ LYS 52 -15.507 9.260 6.414 426 HZ2 LYS 52 2HZ LYS 52 -14.992 10.013 4.995 427 HZ3 LYS 52 3HZ LYS 52 -15.880 8.577 4.912 428 H GLN 53 H GLN 53 -12.219 11.389 2.802 429 HA GLN 53 HA GLN 53 -12.262 13.983 3.984 430 HB2 GLN 53 2HB GLN 53 -10.043 12.001 3.365 431 HB3 GLN 53 3HB GLN 53 -9.664 13.593 4.005 432 HG2 GLN 53 2HG GLN 53 -11.455 11.584 5.404 433 HG3 GLN 53 3HG GLN 53 -9.727 11.768 5.717 434 HE21 GLN 53 1HE2 GLN 53 -8.985 13.661 6.741 435 HE22 GLN 53 2HE2 GLN 53 -10.042 14.695 7.631 436 H GLY 54 H GLY 54 -11.212 12.671 0.898 437 HA2 GLY 54 2HA GLY 54 -10.910 13.719 -1.132 438 HA3 GLY 54 3HA GLY 54 -11.131 15.289 -0.366 439 H ILE 55 H ILE 55 -8.867 12.852 0.765 440 HA ILE 55 HA ILE 55 -6.624 14.621 0.702 441 HB ILE 55 HB ILE 55 -6.658 11.581 1.091 442 HG12 ILE 55 2HG1 ILE 55 -6.609 13.800 3.192 443 HG13 ILE 55 3HG1 ILE 55 -8.018 12.833 2.781 444 HG21 ILE 55 1HG2 ILE 55 -4.411 12.380 0.457 445 HG22 ILE 55 2HG2 ILE 55 -4.428 11.869 2.144 446 HG23 ILE 55 3HG2 ILE 55 -4.457 13.588 1.746 447 HD11 ILE 55 1HD1 ILE 55 -7.042 12.060 4.832 448 HD12 ILE 55 2HD1 ILE 55 -5.474 11.837 4.061 449 HD13 ILE 55 3HD1 ILE 55 -6.842 10.821 3.594 450 H HIS 56 H HIS 56 -6.184 15.303 -1.375 451 HA HIS 56 HA HIS 56 -5.725 13.401 -3.524 452 HB2 HIS 56 2HB HIS 56 -6.650 15.729 -3.934 453 HB3 HIS 56 3HB HIS 56 -5.090 16.394 -3.453 454 HD1 HIS 56 HD1 HIS 56 -6.759 14.439 -6.198 455 HD2 HIS 56 HD2 HIS 56 -3.103 16.234 -5.428 456 HE1 HIS 56 HE1 HIS 56 -5.493 14.339 -8.360 457 HE2 HIS 56 HE2 HIS 56 -3.245 15.364 -7.848 458 H PHE 57 H PHE 57 -3.980 12.176 -3.252 459 HA PHE 57 HA PHE 57 -1.385 13.398 -2.503 460 HB2 PHE 57 2HB PHE 57 -0.668 10.996 -2.040 461 HB3 PHE 57 3HB PHE 57 -1.881 11.638 -0.941 462 HD1 PHE 57 HD1 PHE 57 -1.316 9.263 -3.748 463 HD2 PHE 57 HD2 PHE 57 -4.109 10.679 -0.824 464 HE1 PHE 57 HE1 PHE 57 -2.792 7.357 -4.220 465 HE2 PHE 57 HE2 PHE 57 -5.570 8.764 -1.303 466 HZ PHE 57 HZ PHE 57 -4.915 7.104 -3.001 467 H GLU 58 H GLU 58 0.473 12.520 -3.713 468 HA GLU 58 HA GLU 58 -0.120 11.521 -6.410 469 HB2 GLU 58 2HB GLU 58 0.038 14.216 -6.120 470 HB3 GLU 58 3HB GLU 58 1.765 13.892 -6.205 471 HG2 GLU 58 2HG GLU 58 -0.212 12.958 -8.316 472 HG3 GLU 58 3HG GLU 58 0.586 14.528 -8.373 473 H VAL 59 H VAL 59 1.124 9.806 -6.603 474 HA VAL 59 HA VAL 59 3.246 9.143 -4.805 475 HB VAL 59 HB VAL 59 2.404 7.716 -7.383 476 HG11 VAL 59 1HG1 VAL 59 3.445 5.699 -6.385 477 HG12 VAL 59 2HG1 VAL 59 3.990 6.664 -5.011 478 HG13 VAL 59 3HG1 VAL 59 4.626 6.989 -6.625 479 HG21 VAL 59 1HG2 VAL 59 1.015 6.250 -5.966 480 HG22 VAL 59 2HG2 VAL 59 0.491 7.929 -5.827 481 HG23 VAL 59 3HG2 VAL 59 1.449 7.196 -4.537 482 H LYS 60 H LYS 60 5.199 10.079 -4.972 483 HA LYS 60 HA LYS 60 6.181 11.126 -7.531 484 HB2 LYS 60 2HB LYS 60 7.393 11.442 -4.749 485 HB3 LYS 60 3HB LYS 60 7.825 12.354 -6.195 486 HG2 LYS 60 2HG LYS 60 5.236 12.515 -4.610 487 HG3 LYS 60 3HG LYS 60 6.478 13.761 -4.780 488 HD2 LYS 60 2HD LYS 60 4.637 12.728 -6.981 489 HD3 LYS 60 3HD LYS 60 4.519 14.288 -6.165 490 HE2 LYS 60 2HE LYS 60 6.691 14.960 -7.124 491 HE3 LYS 60 3HE LYS 60 6.835 13.391 -7.922 492 HZ1 LYS 60 1HZ LYS 60 6.031 15.084 -9.429 493 HZ2 LYS 60 2HZ LYS 60 4.711 15.396 -8.421 494 HZ3 LYS 60 3HZ LYS 60 4.847 13.900 -9.188 495 H ARG 61 H ARG 61 7.280 9.003 -4.905 496 HA ARG 61 HA ARG 61 9.289 7.719 -6.667 497 HB2 ARG 61 2HB ARG 61 10.505 9.458 -5.433 498 HB3 ARG 61 3HB ARG 61 9.768 8.968 -3.915 499 HG2 ARG 61 2HG ARG 61 12.035 8.187 -3.912 500 HG3 ARG 61 3HG ARG 61 10.991 6.778 -4.092 501 HD2 ARG 61 2HD ARG 61 12.876 6.534 -5.577 502 HD3 ARG 61 3HD ARG 61 11.446 6.833 -6.564 503 HE ARG 61 HE ARG 61 12.316 8.867 -7.216 504 HH11 ARG 61 1HH1 ARG 61 14.377 7.539 -4.666 505 HH12 ARG 61 2HH1 ARG 61 15.646 8.684 -4.938 506 HH21 ARG 61 1HH2 ARG 61 14.011 10.376 -7.525 507 HH22 ARG 61 2HH2 ARG 61 15.442 10.283 -6.549 508 H VAL 62 H VAL 62 9.293 5.534 -6.400 509 HA VAL 62 HA VAL 62 8.185 4.308 -3.926 510 HB VAL 62 HB VAL 62 7.940 3.176 -6.764 511 HG11 VAL 62 1HG1 VAL 62 8.214 1.382 -5.094 512 HG12 VAL 62 2HG1 VAL 62 6.570 1.371 -5.739 513 HG13 VAL 62 3HG1 VAL 62 6.889 2.050 -4.139 514 HG21 VAL 62 1HG2 VAL 62 5.505 3.501 -6.532 515 HG22 VAL 62 2HG2 VAL 62 6.365 5.039 -6.417 516 HG23 VAL 62 3HG2 VAL 62 5.755 4.260 -4.956 517 H GLU 63 H GLU 63 9.823 3.323 -2.886 518 HA GLU 63 HA GLU 63 11.937 1.907 -4.418 519 HB2 GLU 63 2HB GLU 63 12.287 3.640 -1.925 520 HB3 GLU 63 3HB GLU 63 13.532 2.556 -2.548 521 HG2 GLU 63 2HG GLU 63 13.596 3.841 -4.651 522 HG3 GLU 63 3HG GLU 63 12.340 4.916 -4.031 523 H VAL 64 H VAL 64 11.411 -0.173 -4.091 524 HA VAL 64 HA VAL 64 10.579 -1.079 -1.410 525 HB VAL 64 HB VAL 64 8.985 -1.656 -3.167 526 HG11 VAL 64 1HG1 VAL 64 10.416 -1.710 -5.147 527 HG12 VAL 64 2HG1 VAL 64 9.524 -3.225 -5.006 528 HG13 VAL 64 3HG1 VAL 64 11.230 -3.165 -4.558 529 HG21 VAL 64 1HG2 VAL 64 9.261 -3.220 -1.282 530 HG22 VAL 64 2HG2 VAL 64 10.454 -4.137 -2.205 531 HG23 VAL 64 3HG2 VAL 64 8.777 -4.066 -2.754 532 H THR 65 H THR 65 11.767 -2.519 -0.290 533 HA THR 65 HA THR 65 14.205 -3.740 -1.340 534 HB THR 65 HB THR 65 14.956 -1.447 -0.716 535 HG1 THR 65 HG1 THR 65 16.643 -2.101 0.656 536 HG21 THR 65 1HG2 THR 65 13.981 -2.096 2.095 537 HG22 THR 65 2HG2 THR 65 13.248 -0.914 1.008 538 HG23 THR 65 3HG2 THR 65 14.884 -0.655 1.620 539 H THR 66 H THR 66 15.227 -5.105 0.429 540 HA THR 66 HA THR 66 13.147 -6.316 2.128 541 HB THR 66 HB THR 66 14.879 -8.192 2.405 542 HG1 THR 66 HG1 THR 66 16.147 -6.848 0.227 543 HG21 THR 66 1HG2 THR 66 14.438 -9.177 0.194 544 HG22 THR 66 2HG2 THR 66 13.966 -7.598 -0.436 545 HG23 THR 66 3HG2 THR 66 12.985 -8.380 0.807 546 H ASP 67 H ASP 67 13.534 -6.773 4.258 547 HA ASP 67 HA ASP 67 15.750 -5.542 5.723 548 HB2 ASP 67 2HB ASP 67 14.172 -3.743 5.842 549 HB3 ASP 67 3HB ASP 67 12.801 -4.834 5.971 550 H GLY 68 H GLY 68 16.438 -7.654 5.993 551 HA2 GLY 68 2HA GLY 68 16.575 -9.791 6.793 552 HA3 GLY 68 3HA GLY 68 15.322 -9.372 7.958 553 H ASN 69 H ASN 69 13.484 -10.513 7.752 554 HA ASN 69 HA ASN 69 12.807 -11.870 5.221 555 HB2 ASN 69 2HB ASN 69 11.483 -12.117 7.960 556 HB3 ASN 69 3HB ASN 69 11.184 -13.147 6.567 557 HD21 ASN 69 1HD2 ASN 69 12.733 -14.704 5.997 558 HD22 ASN 69 2HD2 ASN 69 13.958 -15.205 7.101 559 H THR 70 H THR 70 12.037 -9.026 6.916 560 HA THR 70 HA THR 70 9.253 -8.830 5.957 561 HB THR 70 HB THR 70 10.845 -7.020 7.834 562 HG1 THR 70 HG1 THR 70 9.291 -9.315 8.217 563 HG21 THR 70 1HG2 THR 70 8.654 -6.062 8.469 564 HG22 THR 70 2HG2 THR 70 7.857 -7.055 7.248 565 HG23 THR 70 3HG2 THR 70 8.986 -5.790 6.755 566 H VAL 71 H VAL 71 8.862 -7.745 4.098 567 HA VAL 71 HA VAL 71 11.016 -6.225 2.811 568 HB VAL 71 HB VAL 71 9.833 -7.945 1.517 569 HG11 VAL 71 1HG1 VAL 71 7.523 -7.731 0.777 570 HG12 VAL 71 2HG1 VAL 71 7.332 -6.283 1.769 571 HG13 VAL 71 3HG1 VAL 71 7.625 -7.846 2.537 572 HG21 VAL 71 1HG2 VAL 71 10.844 -6.088 0.280 573 HG22 VAL 71 2HG2 VAL 71 9.342 -5.168 0.403 574 HG23 VAL 71 3HG2 VAL 71 9.389 -6.659 -0.542 575 H ASN 72 H ASN 72 11.070 -4.042 2.737 576 HA ASN 72 HA ASN 72 8.784 -2.478 3.802 577 HB2 ASN 72 2HB ASN 72 11.772 -1.862 3.766 578 HB3 ASN 72 3HB ASN 72 10.547 -0.694 4.244 579 HD21 ASN 72 1HD2 ASN 72 10.750 -4.185 5.095 580 HD22 ASN 72 2HD2 ASN 72 10.903 -3.902 6.787 581 H VAL 73 H VAL 73 7.771 -1.088 2.442 582 HA VAL 73 HA VAL 73 9.118 -0.269 -0.074 583 HB VAL 73 HB VAL 73 6.114 -0.170 0.465 584 HG11 VAL 73 1HG1 VAL 73 6.872 1.395 -1.277 585 HG12 VAL 73 2HG1 VAL 73 5.944 0.084 -2.008 586 HG13 VAL 73 3HG1 VAL 73 7.705 0.088 -2.121 587 HG21 VAL 73 1HG2 VAL 73 6.846 -2.514 0.526 588 HG22 VAL 73 2HG2 VAL 73 7.664 -2.310 -1.022 589 HG23 VAL 73 3HG2 VAL 73 5.907 -2.195 -0.936 590 H THR 74 H THR 74 10.102 1.569 0.439 591 HA THR 74 HA THR 74 8.832 3.699 1.984 592 HB THR 74 HB THR 74 11.559 3.578 0.621 593 HG1 THR 74 HG1 THR 74 10.621 2.441 2.880 594 HG21 THR 74 1HG2 THR 74 10.502 5.532 2.703 595 HG22 THR 74 2HG2 THR 74 10.859 5.916 1.016 596 HG23 THR 74 3HG2 THR 74 12.163 5.466 2.122 597 H VAL 75 H VAL 75 7.295 4.723 0.839 598 HA VAL 75 HA VAL 75 7.841 5.609 -1.929 599 HB VAL 75 HB VAL 75 6.116 3.914 -2.024 600 HG11 VAL 75 1HG1 VAL 75 5.351 3.918 0.304 601 HG12 VAL 75 2HG1 VAL 75 3.987 4.014 -0.808 602 HG13 VAL 75 3HG1 VAL 75 4.527 5.460 0.048 603 HG21 VAL 75 1HG2 VAL 75 4.212 5.158 -3.018 604 HG22 VAL 75 2HG2 VAL 75 5.770 5.796 -3.543 605 HG23 VAL 75 3HG2 VAL 75 4.836 6.657 -2.320 606 H GLU 76 H GLU 76 8.077 7.720 -2.073 607 HA GLU 76 HA GLU 76 7.101 9.583 -0.037 608 HB2 GLU 76 2HB GLU 76 9.415 9.816 -0.882 609 HB3 GLU 76 3HB GLU 76 8.822 9.992 -2.527 610 HG2 GLU 76 2HG GLU 76 9.414 12.176 -1.729 611 HG3 GLU 76 3HG GLU 76 7.657 12.110 -1.830 612 H LEU 77 H LEU 77 5.239 10.721 -0.304 613 HA LEU 77 HA LEU 77 4.155 11.152 -3.030 614 HB2 LEU 77 2HB LEU 77 2.424 10.681 -0.560 615 HB3 LEU 77 3HB LEU 77 1.862 10.997 -2.190 616 HG LEU 77 HG LEU 77 3.067 8.731 -2.785 617 HD11 LEU 77 1HD1 LEU 77 4.253 8.407 -0.679 618 HD12 LEU 77 2HD1 LEU 77 3.132 7.081 -0.982 619 HD13 LEU 77 3HD1 LEU 77 2.719 8.334 0.191 620 HD21 LEU 77 1HD2 LEU 77 1.043 7.456 -2.268 621 HD22 LEU 77 2HD2 LEU 77 0.647 9.052 -2.902 622 HD23 LEU 77 3HD2 LEU 77 0.500 8.731 -1.171 623 H GLU 78 H GLU 78 3.572 13.222 -3.457 624 HA GLU 78 HA GLU 78 3.595 15.250 -1.345 625 HB2 GLU 78 2HB GLU 78 3.248 15.368 -4.362 626 HB3 GLU 78 3HB GLU 78 2.921 16.766 -3.341 627 HG2 GLU 78 2HG GLU 78 5.253 16.701 -2.517 628 HG3 GLU 78 3HG GLU 78 5.580 15.333 -3.591 629 H GLU 79 H GLU 79 1.807 15.318 -0.115 630 HA GLU 79 HA GLU 79 -0.851 14.773 -1.270 631 HB2 GLU 79 2HB GLU 79 -0.119 15.094 1.671 632 HB3 GLU 79 3HB GLU 79 -1.644 14.504 1.011 633 HG2 GLU 79 2HG GLU 79 -0.216 12.597 -0.019 634 HG3 GLU 79 3HG GLU 79 1.044 13.105 1.102 635 H THR 80 H THR 80 -1.835 16.541 -2.032 636 HA THR 80 HA THR 80 -1.496 19.185 -0.832 637 HB THR 80 HB THR 80 -3.365 18.342 -3.100 638 HG1 THR 80 HG1 THR 80 -1.007 18.018 -3.447 639 HG21 THR 80 1HG2 THR 80 -3.956 20.532 -2.083 640 HG22 THR 80 2HG2 THR 80 -3.330 20.733 -3.720 641 HG23 THR 80 3HG2 THR 80 -2.296 21.092 -2.337 642 H THR 81 H THR 81 -2.474 19.290 1.074 643 HA THR 81 HA THR 81 -5.357 18.810 1.310 644 HB THR 81 HB THR 81 -4.364 16.773 2.226 645 HG1 THR 81 HG1 THR 81 -5.012 18.048 4.617 646 HG21 THR 81 1HG2 THR 81 -2.853 16.782 4.181 647 HG22 THR 81 2HG2 THR 81 -2.781 18.544 4.127 648 HG23 THR 81 3HG2 THR 81 -2.106 17.592 2.801 649 H GLY 82 H GLY 82 -6.373 20.357 2.450 650 HA2 GLY 82 2HA GLY 82 -6.773 22.336 3.529 651 HA3 GLY 82 3HA GLY 82 -5.179 22.214 4.264 652 H GLY 83 H GLY 83 -5.302 22.096 0.814 653 HA2 GLY 83 2HA GLY 83 -4.836 23.660 -0.834 654 HA3 GLY 83 3HA GLY 83 -4.791 24.936 0.367 655 H THR 84 H THR 84 -2.860 22.616 1.645 656 HA THR 84 HA THR 84 -0.390 23.787 0.502 657 HB THR 84 HB THR 84 0.669 22.978 2.683 658 HG1 THR 84 HG1 THR 84 -1.128 21.516 3.199 659 HG21 THR 84 1HG2 THR 84 -1.550 25.031 2.966 660 HG22 THR 84 2HG2 THR 84 0.075 25.357 2.362 661 HG23 THR 84 3HG2 THR 84 -0.157 24.858 4.040 662 H THR 85 H THR 85 0.730 22.467 -0.809 663 HA THR 85 HA THR 85 0.448 19.561 -0.716 664 HB THR 85 HB THR 85 2.357 21.142 -2.493 665 HG1 THR 85 HG1 THR 85 -0.406 20.579 -2.867 666 HG21 THR 85 1HG2 THR 85 2.054 19.221 -4.028 667 HG22 THR 85 2HG2 THR 85 0.972 18.450 -2.866 668 HG23 THR 85 3HG2 THR 85 2.680 18.677 -2.469 669 H THR 86 H THR 86 1.673 18.419 0.690 670 HA THR 86 HA THR 86 4.413 19.350 1.373 671 HB THR 86 HB THR 86 2.883 19.799 3.288 672 HG1 THR 86 HG1 THR 86 4.108 18.083 4.720 673 HG21 THR 86 1HG2 THR 86 1.855 17.930 4.542 674 HG22 THR 86 2HG2 THR 86 2.408 16.792 3.313 675 HG23 THR 86 3HG2 THR 86 1.201 18.015 2.903 676 H ASN 87 H ASN 87 5.920 17.671 1.794 677 HA ASN 87 HA ASN 87 5.444 15.154 0.443 678 HB2 ASN 87 2HB ASN 87 7.866 16.276 1.895 679 HB3 ASN 87 3HB ASN 87 7.841 14.655 1.205 680 HD21 ASN 87 1HD2 ASN 87 7.515 14.455 -1.090 681 HD22 ASN 87 2HD2 ASN 87 8.047 15.721 -2.137 682 H THR 88 H THR 88 5.051 13.260 1.351 683 HA THR 88 HA THR 88 5.178 12.829 4.248 684 HB THR 88 HB THR 88 2.638 12.233 2.648 685 HG1 THR 88 HG1 THR 88 2.912 14.502 2.877 686 HG21 THR 88 1HG2 THR 88 2.966 10.800 4.639 687 HG22 THR 88 2HG2 THR 88 1.611 11.906 4.877 688 HG23 THR 88 3HG2 THR 88 3.165 12.240 5.645 689 H THR 89 H THR 89 6.430 11.072 4.322 690 HA THR 89 HA THR 89 6.560 9.164 2.119 691 HB THR 89 HB THR 89 8.260 9.275 4.655 692 HG1 THR 89 HG1 THR 89 8.255 10.855 2.422 693 HG21 THR 89 1HG2 THR 89 8.326 7.091 3.457 694 HG22 THR 89 2HG2 THR 89 9.870 7.937 3.356 695 HG23 THR 89 3HG2 THR 89 8.780 7.934 1.967 696 H TYR 90 H TYR 90 5.333 7.380 2.200 697 HA TYR 90 HA TYR 90 4.471 6.240 4.782 698 HB2 TYR 90 2HB TYR 90 3.519 5.786 1.919 699 HB3 TYR 90 3HB TYR 90 2.989 4.798 3.275 700 HD1 TYR 90 HD1 TYR 90 3.033 8.355 2.057 701 HD2 TYR 90 HD2 TYR 90 1.131 5.461 4.551 702 HE1 TYR 90 HE1 TYR 90 1.205 9.934 2.485 703 HE2 TYR 90 HE2 TYR 90 -0.701 7.031 4.989 704 HH TYR 90 HH TYR 90 -1.104 9.912 3.186 705 H GLU 91 H GLU 91 5.620 4.533 5.513 706 HA GLU 91 HA GLU 91 7.102 2.824 3.599 707 HB2 GLU 91 2HB GLU 91 7.481 3.254 6.590 708 HB3 GLU 91 3HB GLU 91 8.407 2.105 5.622 709 HG2 GLU 91 2HG GLU 91 9.351 3.959 4.303 710 HG3 GLU 91 3HG GLU 91 8.386 5.121 5.223 711 H LEU 92 H LEU 92 5.646 1.327 3.003 712 HA LEU 92 HA LEU 92 3.843 0.081 4.942 713 HB2 LEU 92 2HB LEU 92 4.126 -0.378 1.940 714 HB3 LEU 92 3HB LEU 92 2.932 -1.143 2.978 715 HG LEU 92 HG LEU 92 2.131 1.288 3.516 716 HD11 LEU 92 1HD1 LEU 92 3.625 1.888 0.955 717 HD12 LEU 92 2HD1 LEU 92 4.011 2.507 2.563 718 HD13 LEU 92 3HD1 LEU 92 2.499 2.969 1.785 719 HD21 LEU 92 1HD2 LEU 92 0.623 1.338 1.595 720 HD22 LEU 92 2HD2 LEU 92 0.783 -0.296 2.236 721 HD23 LEU 92 3HD2 LEU 92 1.630 0.156 0.755 722 H ARG 93 H ARG 93 4.730 -1.392 6.139 723 HA ARG 93 HA ARG 93 7.133 -2.856 5.301 724 HB2 ARG 93 2HB ARG 93 6.990 -1.240 7.337 725 HB3 ARG 93 3HB ARG 93 6.026 -2.487 8.115 726 HG2 ARG 93 2HG ARG 93 7.887 -4.000 8.171 727 HG3 ARG 93 3HG ARG 93 8.829 -2.981 7.082 728 HD2 ARG 93 2HD ARG 93 8.725 -1.173 8.881 729 HD3 ARG 93 3HD ARG 93 8.078 -2.408 9.963 730 HE ARG 93 HE ARG 93 10.239 -3.648 9.447 731 HH11 ARG 93 1HH1 ARG 93 10.055 -0.139 9.444 732 HH12 ARG 93 2HH1 ARG 93 11.726 0.079 9.854 733 HH21 ARG 93 1HH2 ARG 93 12.458 -3.337 9.952 734 HH22 ARG 93 2HH2 ARG 93 13.079 -1.728 10.139 735 H PHE 94 H PHE 94 6.365 -4.668 4.299 736 HA PHE 94 HA PHE 94 3.976 -6.055 5.235 737 HB2 PHE 94 2HB PHE 94 5.785 -6.529 2.831 738 HB3 PHE 94 3HB PHE 94 4.307 -7.415 3.154 739 HD1 PHE 94 HD1 PHE 94 5.733 -4.313 1.845 740 HD2 PHE 94 HD2 PHE 94 2.091 -6.270 2.960 741 HE1 PHE 94 HE1 PHE 94 4.429 -2.647 0.577 742 HE2 PHE 94 HE2 PHE 94 0.808 -4.602 1.691 743 HZ PHE 94 HZ PHE 94 1.975 -2.793 0.497 744 H GLU 95 H GLU 95 4.270 -7.398 6.851 745 HA GLU 95 HA GLU 95 6.730 -8.887 7.308 746 HB2 GLU 95 2HB GLU 95 5.329 -7.655 9.097 747 HB3 GLU 95 3HB GLU 95 4.142 -8.939 8.933 748 HG2 GLU 95 2HG GLU 95 7.038 -9.393 9.748 749 HG3 GLU 95 3HG GLU 95 5.721 -9.149 10.894 750 H VAL 96 H VAL 96 6.984 -10.890 6.560 751 HA VAL 96 HA VAL 96 4.821 -12.089 4.968 752 HB VAL 96 HB VAL 96 6.454 -13.058 3.552 753 HG11 VAL 96 1HG1 VAL 96 7.926 -11.170 2.883 754 HG12 VAL 96 2HG1 VAL 96 7.538 -10.350 4.397 755 HG13 VAL 96 3HG1 VAL 96 6.269 -10.652 3.208 756 HG21 VAL 96 1HG2 VAL 96 8.616 -12.463 5.613 757 HG22 VAL 96 2HG2 VAL 96 8.889 -13.171 4.018 758 HG23 VAL 96 3HG2 VAL 96 7.960 -14.057 5.228 759 H ASP 97 H ASP 97 4.385 -14.284 5.005 760 HA ASP 97 HA ASP 97 5.544 -15.994 7.111 761 HB2 ASP 97 2HB ASP 97 3.424 -15.165 8.015 762 HB3 ASP 97 3HB ASP 97 2.580 -15.594 6.534 763 H GLY 98 H GLY 98 6.687 -17.281 5.756 764 HA2 GLY 98 2HA GLY 98 7.113 -19.041 4.359 765 HA3 GLY 98 3HA GLY 98 5.381 -19.296 4.218 766 H ASP 99 H ASP 99 4.295 -18.467 2.460 767 HA ASP 99 HA ASP 99 5.979 -17.540 0.194 768 HB2 ASP 99 2HB ASP 99 4.837 -19.813 0.062 769 HB3 ASP 99 3HB ASP 99 3.284 -18.992 0.107 770 H THR 100 H THR 100 3.418 -16.623 2.289 771 HA THR 100 HA THR 100 2.475 -14.470 0.487 772 HB THR 100 HB THR 100 0.779 -16.224 0.437 773 HG1 THR 100 HG1 THR 100 -0.248 -14.324 0.376 774 HG21 THR 100 1HG2 THR 100 -0.435 -16.963 2.454 775 HG22 THR 100 2HG2 THR 100 0.650 -16.010 3.468 776 HG23 THR 100 3HG2 THR 100 1.276 -17.388 2.556 777 H ILE 101 H ILE 101 1.595 -12.642 1.556 778 HA ILE 101 HA ILE 101 2.988 -12.017 4.071 779 HB ILE 101 HB ILE 101 1.636 -10.191 2.037 780 HG12 ILE 101 2HG1 ILE 101 4.621 -10.694 2.463 781 HG13 ILE 101 3HG1 ILE 101 3.667 -11.398 1.165 782 HG21 ILE 101 1HG2 ILE 101 1.658 -9.196 4.291 783 HG22 ILE 101 2HG2 ILE 101 2.732 -8.322 3.201 784 HG23 ILE 101 3HG2 ILE 101 3.404 -9.439 4.393 785 HD11 ILE 101 1HD1 ILE 101 4.987 -9.527 0.377 786 HD12 ILE 101 2HD1 ILE 101 4.219 -8.454 1.545 787 HD13 ILE 101 3HD1 ILE 101 3.266 -9.170 0.245 788 H ARG 102 H ARG 102 1.885 -11.624 5.936 789 HA ARG 102 HA ARG 102 -1.058 -11.960 5.919 790 HB2 ARG 102 2HB ARG 102 0.871 -12.259 8.260 791 HB3 ARG 102 3HB ARG 102 -0.841 -12.692 8.244 792 HG2 ARG 102 2HG ARG 102 1.349 -14.011 6.606 793 HG3 ARG 102 3HG ARG 102 0.609 -14.664 8.067 794 HD2 ARG 102 2HD ARG 102 -1.538 -14.885 6.928 795 HD3 ARG 102 3HD ARG 102 -0.888 -14.106 5.481 796 HE ARG 102 HE ARG 102 0.680 -16.045 5.339 797 HH11 ARG 102 1HH1 ARG 102 -2.371 -16.474 7.038 798 HH12 ARG 102 2HH1 ARG 102 -2.426 -18.183 6.755 799 HH21 ARG 102 1HH2 ARG 102 0.585 -18.275 4.940 800 HH22 ARG 102 2HH2 ARG 102 -0.738 -19.208 5.555 801 H ARG 103 H ARG 103 1.507 -9.795 6.889 802 HA ARG 103 HA ARG 103 -0.411 -7.984 8.254 803 HB2 ARG 103 2HB ARG 103 2.418 -8.669 9.167 804 HB3 ARG 103 3HB ARG 103 1.344 -7.521 9.956 805 HG2 ARG 103 2HG ARG 103 -0.142 -9.315 10.656 806 HG3 ARG 103 3HG ARG 103 0.758 -10.499 9.704 807 HD2 ARG 103 2HD ARG 103 2.731 -10.175 11.155 808 HD3 ARG 103 3HD ARG 103 1.850 -8.973 12.100 809 HE ARG 103 HE ARG 103 0.335 -10.754 12.798 810 HH11 ARG 103 1HH1 ARG 103 3.400 -11.841 11.446 811 HH12 ARG 103 2HH1 ARG 103 3.339 -13.378 12.239 812 HH21 ARG 103 1HH2 ARG 103 0.309 -12.758 13.866 813 HH22 ARG 103 2HH2 ARG 103 1.589 -13.902 13.613 814 H VAL 104 H VAL 104 -0.029 -5.815 7.986 815 HA VAL 104 HA VAL 104 2.281 -4.869 6.416 816 HB VAL 104 HB VAL 104 0.544 -5.104 4.731 817 HG11 VAL 104 1HG1 VAL 104 -1.307 -3.448 6.487 818 HG12 VAL 104 2HG1 VAL 104 -1.453 -5.178 6.163 819 HG13 VAL 104 3HG1 VAL 104 -1.661 -4.016 4.852 820 HG21 VAL 104 1HG2 VAL 104 0.352 -2.789 3.901 821 HG22 VAL 104 2HG2 VAL 104 1.963 -3.097 4.551 822 HG23 VAL 104 3HG2 VAL 104 0.796 -2.167 5.495 823 H THR 105 H THR 105 3.201 -3.213 7.469 824 HA THR 105 HA THR 105 1.649 -1.678 9.476 825 HB THR 105 HB THR 105 4.688 -1.963 9.299 826 HG1 THR 105 HG1 THR 105 4.139 -3.976 9.821 827 HG21 THR 105 1HG2 THR 105 4.661 -1.213 11.653 828 HG22 THR 105 2HG2 THR 105 2.902 -1.087 11.603 829 HG23 THR 105 3HG2 THR 105 3.889 -0.006 10.616 830 H VAL 106 H VAL 106 0.906 0.082 8.365 831 HA VAL 106 HA VAL 106 2.530 1.432 6.343 832 HB VAL 106 HB VAL 106 -0.285 2.102 7.338 833 HG11 VAL 106 1HG1 VAL 106 1.183 3.073 4.856 834 HG12 VAL 106 2HG1 VAL 106 0.819 4.041 6.287 835 HG13 VAL 106 3HG1 VAL 106 -0.494 3.444 5.269 836 HG21 VAL 106 1HG2 VAL 106 -1.117 0.991 5.292 837 HG22 VAL 106 2HG2 VAL 106 -0.222 -0.146 6.304 838 HG23 VAL 106 3HG2 VAL 106 0.533 0.533 4.859 839 H THR 107 H THR 107 4.076 2.704 7.181 840 HA THR 107 HA THR 107 3.639 4.220 9.674 841 HB THR 107 HB THR 107 6.247 3.762 8.141 842 HG1 THR 107 HG1 THR 107 5.936 1.776 8.824 843 HG21 THR 107 1HG2 THR 107 6.352 5.665 9.717 844 HG22 THR 107 2HG2 THR 107 7.338 4.317 10.291 845 HG23 THR 107 3HG2 THR 107 5.760 4.625 11.019 846 H GLN 108 H GLN 108 2.681 6.175 9.181 847 HA GLN 108 HA GLN 108 3.366 7.645 6.747 848 HB2 GLN 108 2HB GLN 108 0.987 7.499 7.465 849 HB3 GLN 108 3HB GLN 108 1.384 8.344 8.959 850 HG2 GLN 108 2HG GLN 108 2.086 10.324 7.604 851 HG3 GLN 108 3HG GLN 108 1.593 9.469 6.145 852 HE21 GLN 108 1HE2 GLN 108 0.069 11.056 5.593 853 HE22 GLN 108 2HE2 GLN 108 -1.406 11.264 6.469 854 H ASN 109 H ASN 109 5.467 8.259 7.100 855 HA ASN 109 HA ASN 109 6.180 10.035 9.333 856 HB2 ASN 109 2HB ASN 109 7.860 8.753 7.136 857 HB3 ASN 109 3HB ASN 109 8.512 9.821 8.379 858 HD21 ASN 109 1HD2 ASN 109 9.071 6.987 7.783 859 HD22 ASN 109 2HD2 ASN 109 8.792 6.144 9.262 860 H GLY 110 H GLY 110 7.407 12.005 8.795 861 HA2 GLY 110 2HA GLY 110 7.724 13.398 6.517 862 HA3 GLY 110 3HA GLY 110 5.996 13.603 6.817 863 H GLY 111 H GLY 111 9.148 14.625 7.679 864 HA2 GLY 111 2HA GLY 111 8.145 16.722 9.432 865 HA3 GLY 111 3HA GLY 111 9.129 15.508 10.246 866 H SER 112 H SER 112 9.952 18.104 10.249 867 HA SER 112 HA SER 112 11.934 18.474 8.128 868 HB2 SER 112 2HB SER 112 11.167 20.297 10.448 869 HB3 SER 112 3HB SER 112 12.325 20.697 9.177 870 HG SER 112 HG SER 112 10.621 20.463 7.663 871 H LEU 113 H LEU 113 13.163 16.600 8.733 872 HA LEU 113 HA LEU 113 15.074 17.055 10.952 873 HB2 LEU 113 2HB LEU 113 14.457 14.562 9.312 874 HB3 LEU 113 3HB LEU 113 15.832 14.667 10.392 875 HG LEU 113 HG LEU 113 14.133 13.433 11.541 876 HD11 LEU 113 1HD1 LEU 113 13.742 14.728 13.548 877 HD12 LEU 113 2HD1 LEU 113 14.126 16.228 12.701 878 HD13 LEU 113 3HD1 LEU 113 15.373 14.998 12.940 879 HD21 LEU 113 1HD2 LEU 113 12.165 14.075 10.239 880 HD22 LEU 113 2HD2 LEU 113 12.152 15.667 11.002 881 HD23 LEU 113 3HD2 LEU 113 11.854 14.218 11.968 882 H GLU 114 H GLU 114 14.631 17.364 7.632 883 HA GLU 114 HA GLU 114 17.366 17.009 6.722 884 HB2 GLU 114 2HB GLU 114 16.291 17.901 4.512 885 HB3 GLU 114 3HB GLU 114 15.779 16.339 5.119 886 HG2 GLU 114 2HG GLU 114 13.897 17.680 4.231 887 HG3 GLU 114 3HG GLU 114 13.686 17.236 5.922 888 H HIS 115 H HIS 115 17.728 19.042 4.889 889 HA HIS 115 HA HIS 115 17.784 21.578 6.424 890 HB2 HIS 115 2HB HIS 115 20.057 20.352 4.798 891 HB3 HIS 115 3HB HIS 115 20.051 22.018 5.360 892 HD1 HIS 115 HD1 HIS 115 20.685 22.458 7.771 893 HD2 HIS 115 HD2 HIS 115 20.384 18.406 6.895 894 HE1 HIS 115 HE1 HIS 115 21.668 21.260 9.747 895 HE2 HIS 115 HE2 HIS 115 21.442 18.813 9.211 896 H HIS 116 H HIS 116 16.123 22.496 5.365 897 HA HIS 116 HA HIS 116 14.823 23.464 3.834 898 HB2 HIS 116 2HB HIS 116 15.950 25.172 2.360 899 HB3 HIS 116 3HB HIS 116 16.405 25.255 4.051 900 HD1 HIS 116 HD1 HIS 116 18.871 25.062 4.610 901 HD2 HIS 116 HD2 HIS 116 18.109 24.251 0.613 902 HE1 HIS 116 HE1 HIS 116 21.113 24.923 3.514 903 HE2 HIS 116 HE2 HIS 116 20.623 24.242 1.142 904 H HIS 117 H HIS 117 14.313 21.236 3.108 905 HA HIS 117 HA HIS 117 15.349 20.239 0.644 906 HB2 HIS 117 2HB HIS 117 13.685 18.483 0.796 907 HB3 HIS 117 3HB HIS 117 14.314 18.769 2.403 908 HD1 HIS 117 HD1 HIS 117 11.278 17.951 0.926 909 HD2 HIS 117 HD2 HIS 117 12.312 20.807 3.761 910 HE1 HIS 117 HE1 HIS 117 9.158 18.502 2.134 911 HE2 HIS 117 HE2 HIS 117 9.811 20.217 3.867 912 H HIS 118 H HIS 118 14.965 21.063 -1.302 913 HA HIS 118 HA HIS 118 12.971 22.988 -1.902 914 HB2 HIS 118 2HB HIS 118 13.676 22.771 -4.254 915 HB3 HIS 118 3HB HIS 118 15.081 22.848 -3.207 916 HD1 HIS 118 HD1 HIS 118 13.702 20.950 -5.950 917 HD2 HIS 118 HD2 HIS 118 16.229 20.108 -2.767 918 HE1 HIS 118 HE1 HIS 118 14.834 18.793 -6.541 919 HE2 HIS 118 HE2 HIS 118 16.448 18.370 -4.652 920 H HIS 119 H HIS 119 10.837 22.572 -1.999 921 HA HIS 119 HA HIS 119 9.793 19.915 -2.047 922 HB2 HIS 119 2HB HIS 119 8.703 21.661 -0.694 923 HB3 HIS 119 3HB HIS 119 8.351 22.612 -2.132 924 HD1 HIS 119 HD1 HIS 119 7.452 19.272 -0.584 925 HD2 HIS 119 HD2 HIS 119 5.872 22.033 -3.227 926 HE1 HIS 119 HE1 HIS 119 5.186 18.414 -1.159 927 HE2 HIS 119 HE2 HIS 119 4.384 19.960 -2.971 928 H HIS 120 H HIS 120 8.542 22.506 -4.122 929 HA HIS 120 HA HIS 120 8.872 21.599 -6.671 930 HB2 HIS 120 2HB HIS 120 7.902 19.435 -6.243 931 HB3 HIS 120 3HB HIS 120 6.633 20.107 -5.224 932 HD1 HIS 120 HD1 HIS 120 7.613 20.751 -8.876 933 HD2 HIS 120 HD2 HIS 120 4.314 19.761 -6.560 934 HE1 HIS 120 HE1 HIS 120 5.675 20.674 -10.455 935 HE2 HIS 120 HE2 HIS 120 3.664 20.297 -8.991 Start of MODEL 2 1 H1 MET 1 1H MET 1 2.946 -18.059 -1.613 2 H2 MET 1 2H MET 1 4.395 -17.315 -2.059 3 H3 MET 1 3H MET 1 4.028 -18.863 -2.626 4 HA MET 1 HA MET 1 2.234 -18.073 -3.903 5 HB2 MET 1 2HB MET 1 1.651 -16.210 -2.271 6 HB3 MET 1 3HB MET 1 2.986 -15.280 -2.929 7 HG2 MET 1 2HG MET 1 0.614 -16.209 -4.562 8 HG3 MET 1 3HG MET 1 0.737 -14.623 -3.801 9 HE1 MET 1 1HE MET 1 0.195 -13.579 -6.223 10 HE2 MET 1 2HE MET 1 0.206 -15.160 -7.008 11 HE3 MET 1 3HE MET 1 1.200 -13.849 -7.644 12 H GLN 2 H GLN 2 4.816 -15.622 -3.653 13 HA GLN 2 HA GLN 2 6.498 -16.623 -5.737 14 HB2 GLN 2 2HB GLN 2 4.492 -15.865 -7.081 15 HB3 GLN 2 3HB GLN 2 4.698 -14.239 -6.460 16 HG2 GLN 2 2HG GLN 2 5.484 -14.521 -8.801 17 HG3 GLN 2 3HG GLN 2 6.759 -13.972 -7.714 18 HE21 GLN 2 1HE2 GLN 2 5.597 -16.651 -9.639 19 HE22 GLN 2 2HE2 GLN 2 7.067 -17.557 -9.624 20 H ASP 3 H ASP 3 8.015 -14.575 -6.413 21 HA ASP 3 HA ASP 3 9.555 -13.634 -4.428 22 HB2 ASP 3 2HB ASP 3 10.206 -13.341 -6.731 23 HB3 ASP 3 3HB ASP 3 8.834 -12.291 -7.054 24 H ILE 4 H ILE 4 9.327 -12.410 -2.746 25 HA ILE 4 HA ILE 4 6.890 -11.073 -2.091 26 HB ILE 4 HB ILE 4 9.535 -11.307 -0.594 27 HG12 ILE 4 2HG1 ILE 4 8.428 -13.486 -0.919 28 HG13 ILE 4 3HG1 ILE 4 8.351 -13.028 0.776 29 HG21 ILE 4 1HG2 ILE 4 8.357 -10.595 1.437 30 HG22 ILE 4 2HG2 ILE 4 6.889 -10.306 0.502 31 HG23 ILE 4 3HG2 ILE 4 8.328 -9.326 0.211 32 HD11 ILE 4 1HD1 ILE 4 5.996 -12.348 0.467 33 HD12 ILE 4 2HD1 ILE 4 6.275 -14.039 0.052 34 HD13 ILE 4 3HD1 ILE 4 6.094 -12.841 -1.226 35 H VAL 5 H VAL 5 10.010 -9.995 -3.300 36 HA VAL 5 HA VAL 5 10.028 -7.324 -2.371 37 HB VAL 5 HB VAL 5 11.327 -8.451 -4.901 38 HG11 VAL 5 1HG1 VAL 5 12.000 -5.930 -3.337 39 HG12 VAL 5 2HG1 VAL 5 11.278 -5.997 -4.945 40 HG13 VAL 5 3HG1 VAL 5 12.927 -6.570 -4.697 41 HG21 VAL 5 1HG2 VAL 5 12.474 -8.201 -2.096 42 HG22 VAL 5 2HG2 VAL 5 13.357 -8.753 -3.522 43 HG23 VAL 5 3HG2 VAL 5 12.009 -9.703 -2.897 44 H GLU 6 H GLU 6 9.141 -8.602 -5.599 45 HA GLU 6 HA GLU 6 8.053 -6.141 -6.567 46 HB2 GLU 6 2HB GLU 6 9.021 -7.839 -8.087 47 HB3 GLU 6 3HB GLU 6 7.732 -8.965 -7.672 48 HG2 GLU 6 2HG GLU 6 6.075 -7.372 -8.630 49 HG3 GLU 6 3HG GLU 6 7.392 -6.300 -9.097 50 H ALA 7 H ALA 7 6.697 -9.042 -5.047 51 HA ALA 7 HA ALA 7 3.958 -8.635 -5.479 52 HB1 ALA 7 1HB ALA 7 3.588 -10.029 -3.480 53 HB2 ALA 7 2HB ALA 7 5.288 -9.848 -3.038 54 HB3 ALA 7 3HB ALA 7 4.849 -10.708 -4.514 55 H ALA 8 H ALA 8 6.025 -7.505 -2.798 56 HA ALA 8 HA ALA 8 3.983 -6.076 -1.401 57 HB1 ALA 8 1HB ALA 8 5.824 -5.249 -0.011 58 HB2 ALA 8 2HB ALA 8 7.005 -5.873 -1.170 59 HB3 ALA 8 3HB ALA 8 5.960 -6.984 -0.279 60 H LYS 9 H LYS 9 6.383 -5.171 -3.833 61 HA LYS 9 HA LYS 9 6.203 -2.365 -3.684 62 HB2 LYS 9 2HB LYS 9 7.975 -3.429 -4.988 63 HB3 LYS 9 3HB LYS 9 6.797 -4.197 -6.049 64 HG2 LYS 9 2HG LYS 9 6.102 -1.923 -6.850 65 HG3 LYS 9 3HG LYS 9 7.386 -1.219 -5.866 66 HD2 LYS 9 2HD LYS 9 9.088 -2.402 -7.185 67 HD3 LYS 9 3HD LYS 9 7.831 -3.227 -8.111 68 HE2 LYS 9 2HE LYS 9 7.073 -1.051 -9.017 69 HE3 LYS 9 3HE LYS 9 8.335 -0.229 -8.094 70 HZ1 LYS 9 1HZ LYS 9 8.775 -2.223 -10.251 71 HZ2 LYS 9 2HZ LYS 9 9.993 -1.491 -9.342 72 HZ3 LYS 9 3HZ LYS 9 9.029 -0.555 -10.366 73 H GLN 10 H GLN 10 4.560 -4.617 -5.912 74 HA GLN 10 HA GLN 10 2.813 -2.737 -7.096 75 HB2 GLN 10 2HB GLN 10 2.614 -5.776 -6.947 76 HB3 GLN 10 3HB GLN 10 1.635 -4.763 -7.999 77 HG2 GLN 10 2HG GLN 10 4.637 -5.147 -8.143 78 HG3 GLN 10 3HG GLN 10 3.435 -5.752 -9.282 79 HE21 GLN 10 1HE2 GLN 10 2.323 -4.237 -10.601 80 HE22 GLN 10 2HE2 GLN 10 2.977 -2.678 -10.941 81 H ALA 11 H ALA 11 2.579 -4.787 -4.269 82 HA ALA 11 HA ALA 11 -0.159 -4.564 -3.694 83 HB1 ALA 11 1HB ALA 11 1.306 -6.179 -2.555 84 HB2 ALA 11 2HB ALA 11 0.462 -5.163 -1.386 85 HB3 ALA 11 3HB ALA 11 2.162 -4.861 -1.756 86 H ALA 12 H ALA 12 2.634 -2.661 -2.624 87 HA ALA 12 HA ALA 12 1.345 -0.911 -0.875 88 HB1 ALA 12 1HB ALA 12 3.768 -1.270 -0.908 89 HB2 ALA 12 2HB ALA 12 3.383 0.447 -1.028 90 HB3 ALA 12 3HB ALA 12 3.890 -0.453 -2.468 91 H ILE 13 H ILE 13 2.103 -0.549 -4.323 92 HA ILE 13 HA ILE 13 1.198 2.131 -4.651 93 HB ILE 13 HB ILE 13 1.374 -0.044 -6.801 94 HG12 ILE 13 2HG1 ILE 13 3.582 1.889 -5.939 95 HG13 ILE 13 3HG1 ILE 13 3.511 0.198 -5.474 96 HG21 ILE 13 1HG2 ILE 13 1.697 1.825 -8.378 97 HG22 ILE 13 2HG2 ILE 13 1.548 2.984 -7.058 98 HG23 ILE 13 3HG2 ILE 13 0.164 1.994 -7.516 99 HD11 ILE 13 1HD1 ILE 13 3.820 1.228 -8.293 100 HD12 ILE 13 2HD1 ILE 13 3.751 -0.470 -7.810 101 HD13 ILE 13 3HD1 ILE 13 5.087 0.546 -7.272 102 H ALA 14 H ALA 14 -0.318 -1.063 -5.109 103 HA ALA 14 HA ALA 14 -2.800 -0.209 -6.186 104 HB1 ALA 14 1HB ALA 14 -2.141 -2.764 -4.693 105 HB2 ALA 14 2HB ALA 14 -1.986 -2.507 -6.429 106 HB3 ALA 14 3HB ALA 14 -3.583 -2.487 -5.682 107 H ILE 15 H ILE 15 -1.619 -0.526 -2.894 108 HA ILE 15 HA ILE 15 -4.024 -0.355 -1.442 109 HB ILE 15 HB ILE 15 -1.175 0.497 -0.750 110 HG12 ILE 15 2HG1 ILE 15 -2.888 -1.830 0.229 111 HG13 ILE 15 3HG1 ILE 15 -1.593 -1.944 -0.948 112 HG21 ILE 15 1HG2 ILE 15 -2.613 1.968 0.574 113 HG22 ILE 15 2HG2 ILE 15 -1.849 0.770 1.619 114 HG23 ILE 15 3HG2 ILE 15 -3.539 0.579 1.149 115 HD11 ILE 15 1HD1 ILE 15 -1.286 -1.246 1.973 116 HD12 ILE 15 2HD1 ILE 15 0.025 -1.315 0.792 117 HD13 ILE 15 3HD1 ILE 15 -0.875 -2.775 1.194 118 H PHE 16 H PHE 16 -1.859 2.182 -2.725 119 HA PHE 16 HA PHE 16 -3.459 4.366 -1.726 120 HB2 PHE 16 2HB PHE 16 -1.220 4.416 -3.788 121 HB3 PHE 16 3HB PHE 16 -1.910 5.822 -2.974 122 HD1 PHE 16 HD1 PHE 16 -2.039 5.397 -0.235 123 HD2 PHE 16 HD2 PHE 16 0.854 3.792 -2.947 124 HE1 PHE 16 HE1 PHE 16 -0.429 5.152 1.613 125 HE2 PHE 16 HE2 PHE 16 2.432 3.550 -1.105 126 HZ PHE 16 HZ PHE 16 1.813 4.229 1.177 127 H GLN 17 H GLN 17 -3.242 2.613 -4.759 128 HA GLN 17 HA GLN 17 -4.829 4.256 -6.397 129 HB2 GLN 17 2HB GLN 17 -4.449 1.237 -6.387 130 HB3 GLN 17 3HB GLN 17 -5.399 2.070 -7.613 131 HG2 GLN 17 2HG GLN 17 -3.371 3.383 -8.247 132 HG3 GLN 17 3HG GLN 17 -2.439 2.446 -7.077 133 HE21 GLN 17 1HE2 GLN 17 -1.082 1.699 -8.773 134 HE22 GLN 17 2HE2 GLN 17 -1.597 0.479 -9.874 135 H LEU 18 H LEU 18 -5.680 1.734 -4.049 136 HA LEU 18 HA LEU 18 -8.519 2.032 -4.357 137 HB2 LEU 18 2HB LEU 18 -6.880 0.686 -2.179 138 HB3 LEU 18 3HB LEU 18 -8.638 0.677 -2.219 139 HG LEU 18 HG LEU 18 -6.788 -0.607 -4.267 140 HD11 LEU 18 1HD1 LEU 18 -8.695 -1.876 -2.281 141 HD12 LEU 18 2HD1 LEU 18 -6.932 -1.855 -2.172 142 HD13 LEU 18 3HD1 LEU 18 -7.718 -2.724 -3.485 143 HD21 LEU 18 1HD2 LEU 18 -8.812 -1.481 -5.364 144 HD22 LEU 18 2HD2 LEU 18 -8.757 0.278 -5.422 145 HD23 LEU 18 3HD2 LEU 18 -9.826 -0.532 -4.274 146 H TRP 19 H TRP 19 -6.085 3.430 -2.175 147 HA TRP 19 HA TRP 19 -7.881 4.536 -0.293 148 HB2 TRP 19 2HB TRP 19 -4.985 5.044 -0.946 149 HB3 TRP 19 3HB TRP 19 -5.819 6.125 0.166 150 HD1 TRP 19 HD1 TRP 19 -7.059 2.608 0.618 151 HE1 TRP 19 HE1 TRP 19 -5.992 1.592 2.721 152 HE3 TRP 19 HE3 TRP 19 -3.430 6.115 1.473 153 HZ2 TRP 19 HZ2 TRP 19 -3.899 2.190 4.503 154 HZ3 TRP 19 HZ3 TRP 19 -1.935 5.819 3.404 155 HH2 TRP 19 HH2 TRP 19 -2.177 3.895 4.880 156 H LYS 20 H LYS 20 -6.739 5.800 -3.370 157 HA LYS 20 HA LYS 20 -8.272 8.288 -2.992 158 HB2 LYS 20 2HB LYS 20 -7.273 9.061 -5.076 159 HB3 LYS 20 3HB LYS 20 -6.015 8.480 -3.990 160 HG2 LYS 20 2HG LYS 20 -5.869 6.371 -5.276 161 HG3 LYS 20 3HG LYS 20 -7.141 6.945 -6.359 162 HD2 LYS 20 2HD LYS 20 -5.683 8.845 -7.051 163 HD3 LYS 20 3HD LYS 20 -4.408 8.245 -5.986 164 HE2 LYS 20 2HE LYS 20 -4.216 6.198 -7.313 165 HE3 LYS 20 3HE LYS 20 -5.570 6.705 -8.329 166 HZ1 LYS 20 1HZ LYS 20 -4.237 8.625 -9.026 167 HZ2 LYS 20 2HZ LYS 20 -3.493 7.160 -9.424 168 HZ3 LYS 20 3HZ LYS 20 -2.938 8.064 -8.107 169 H ASN 21 H ASN 21 -8.636 5.147 -4.385 170 HA ASN 21 HA ASN 21 -11.297 5.724 -5.360 171 HB2 ASN 21 2HB ASN 21 -9.952 6.430 -7.318 172 HB3 ASN 21 3HB ASN 21 -9.131 4.870 -7.347 173 HD21 ASN 21 1HD2 ASN 21 -10.307 3.048 -8.071 174 HD22 ASN 21 2HD2 ASN 21 -11.760 3.200 -8.985 175 HA PRO 22 HA PRO 22 -10.705 1.488 -3.481 176 HB2 PRO 22 2HB PRO 22 -13.171 1.320 -2.258 177 HB3 PRO 22 3HB PRO 22 -11.815 2.228 -1.562 178 HG2 PRO 22 2HG PRO 22 -14.145 3.262 -3.145 179 HG3 PRO 22 3HG PRO 22 -13.421 3.911 -1.655 180 HD2 PRO 22 2HD PRO 22 -12.860 4.961 -4.101 181 HD3 PRO 22 3HD PRO 22 -11.661 4.930 -2.788 182 H THR 23 H THR 23 -12.750 2.650 -5.888 183 HA THR 23 HA THR 23 -14.143 0.155 -6.468 184 HB THR 23 HB THR 23 -15.263 1.535 -8.239 185 HG1 THR 23 HG1 THR 23 -13.992 3.147 -8.874 186 HG21 THR 23 1HG2 THR 23 -15.234 2.892 -5.508 187 HG22 THR 23 2HG2 THR 23 -16.246 1.517 -5.957 188 HG23 THR 23 3HG2 THR 23 -16.487 3.079 -6.742 189 H ASP 24 H ASP 24 -11.037 0.957 -6.942 190 HA ASP 24 HA ASP 24 -10.753 0.487 -9.782 191 HB2 ASP 24 2HB ASP 24 -9.068 1.833 -8.393 192 HB3 ASP 24 3HB ASP 24 -8.509 0.307 -7.711 193 HA PRO 25 HA PRO 25 -11.513 -3.895 -9.054 194 HB2 PRO 25 2HB PRO 25 -11.359 -4.766 -11.677 195 HB3 PRO 25 3HB PRO 25 -12.763 -3.909 -11.011 196 HG2 PRO 25 2HG PRO 25 -10.500 -2.811 -12.645 197 HG3 PRO 25 3HG PRO 25 -12.245 -2.500 -12.787 198 HD2 PRO 25 2HD PRO 25 -10.588 -0.752 -11.543 199 HD3 PRO 25 3HD PRO 25 -12.264 -0.998 -11.002 200 H GLU 26 H GLU 26 -8.728 -2.934 -11.130 201 HA GLU 26 HA GLU 26 -7.521 -5.553 -10.940 202 HB2 GLU 26 2HB GLU 26 -5.671 -4.584 -12.256 203 HB3 GLU 26 3HB GLU 26 -7.242 -4.309 -12.990 204 HG2 GLU 26 2HG GLU 26 -7.222 -1.987 -12.098 205 HG3 GLU 26 3HG GLU 26 -5.605 -2.271 -11.461 206 H ALA 27 H ALA 27 -7.167 -2.533 -9.207 207 HA ALA 27 HA ALA 27 -4.662 -2.965 -7.971 208 HB1 ALA 27 1HB ALA 27 -5.781 -0.776 -7.947 209 HB2 ALA 27 2HB ALA 27 -5.382 -1.294 -6.308 210 HB3 ALA 27 3HB ALA 27 -7.045 -1.416 -6.895 211 H GLN 28 H GLN 28 -7.945 -3.495 -6.622 212 HA GLN 28 HA GLN 28 -7.102 -4.966 -4.341 213 HB2 GLN 28 2HB GLN 28 -9.539 -5.537 -4.100 214 HB3 GLN 28 3HB GLN 28 -9.224 -3.817 -4.308 215 HG2 GLN 28 2HG GLN 28 -9.778 -4.108 -6.761 216 HG3 GLN 28 3HG GLN 28 -10.321 -5.738 -6.376 217 HE21 GLN 28 1HE2 GLN 28 -10.962 -2.325 -5.966 218 HE22 GLN 28 2HE2 GLN 28 -12.587 -2.490 -5.404 219 H GLU 29 H GLU 29 -7.736 -5.918 -7.625 220 HA GLU 29 HA GLU 29 -8.247 -8.693 -7.290 221 HB2 GLU 29 2HB GLU 29 -8.866 -7.415 -9.314 222 HB3 GLU 29 3HB GLU 29 -7.177 -7.144 -9.688 223 HG2 GLU 29 2HG GLU 29 -8.272 -9.950 -9.559 224 HG3 GLU 29 3HG GLU 29 -8.528 -8.964 -10.992 225 H LEU 30 H LEU 30 -5.233 -6.892 -8.047 226 HA LEU 30 HA LEU 30 -3.595 -9.233 -8.104 227 HB2 LEU 30 2HB LEU 30 -1.676 -7.745 -8.248 228 HB3 LEU 30 3HB LEU 30 -2.939 -7.252 -9.347 229 HG LEU 30 HG LEU 30 -3.510 -5.540 -7.316 230 HD11 LEU 30 1HD1 LEU 30 -0.514 -5.913 -7.018 231 HD12 LEU 30 2HD1 LEU 30 -1.745 -6.291 -5.807 232 HD13 LEU 30 3HD1 LEU 30 -1.481 -4.622 -6.297 233 HD21 LEU 30 1HD2 LEU 30 -2.270 -3.792 -8.485 234 HD22 LEU 30 2HD2 LEU 30 -3.094 -4.855 -9.621 235 HD23 LEU 30 3HD2 LEU 30 -1.354 -5.011 -9.376 236 H LEU 31 H LEU 31 -4.467 -6.907 -5.586 237 HA LEU 31 HA LEU 31 -2.781 -7.760 -3.492 238 HB2 LEU 31 2HB LEU 31 -5.623 -6.677 -3.310 239 HB3 LEU 31 3HB LEU 31 -4.531 -6.831 -1.943 240 HG LEU 31 HG LEU 31 -4.159 -4.964 -4.316 241 HD11 LEU 31 1HD1 LEU 31 -4.511 -3.149 -2.693 242 HD12 LEU 31 2HD1 LEU 31 -4.857 -4.336 -1.432 243 HD13 LEU 31 3HD1 LEU 31 -5.927 -4.189 -2.828 244 HD21 LEU 31 1HD2 LEU 31 -2.241 -4.055 -3.130 245 HD22 LEU 31 2HD2 LEU 31 -2.001 -5.761 -3.495 246 HD23 LEU 31 3HD2 LEU 31 -2.431 -5.262 -1.857 247 H ASN 32 H ASN 32 -5.668 -9.148 -4.837 248 HA ASN 32 HA ASN 32 -6.392 -10.915 -2.721 249 HB2 ASN 32 2HB ASN 32 -7.882 -10.073 -4.619 250 HB3 ASN 32 3HB ASN 32 -7.066 -11.210 -5.682 251 HD21 ASN 32 1HD2 ASN 32 -9.297 -10.848 -3.019 252 HD22 ASN 32 2HD2 ASN 32 -9.925 -12.456 -3.064 253 H LYS 33 H LYS 33 -4.013 -11.042 -5.205 254 HA LYS 33 HA LYS 33 -3.761 -13.965 -5.235 255 HB2 LYS 33 2HB LYS 33 -2.200 -11.863 -6.822 256 HB3 LYS 33 3HB LYS 33 -2.291 -13.592 -7.153 257 HG2 LYS 33 2HG LYS 33 -4.637 -13.415 -7.781 258 HG3 LYS 33 3HG LYS 33 -4.676 -11.725 -7.273 259 HD2 LYS 33 2HD LYS 33 -4.545 -11.812 -9.691 260 HD3 LYS 33 3HD LYS 33 -3.030 -11.172 -9.062 261 HE2 LYS 33 2HE LYS 33 -1.959 -13.363 -9.397 262 HE3 LYS 33 3HE LYS 33 -3.490 -14.030 -9.976 263 HZ1 LYS 33 1HZ LYS 33 -1.942 -11.837 -11.255 264 HZ2 LYS 33 2HZ LYS 33 -3.433 -12.415 -11.798 265 HZ3 LYS 33 3HZ LYS 33 -2.076 -13.425 -11.822 266 H ILE 34 H ILE 34 -1.935 -11.034 -4.356 267 HA ILE 34 HA ILE 34 0.498 -12.592 -3.753 268 HB ILE 34 HB ILE 34 1.663 -10.394 -3.701 269 HG12 ILE 34 2HG1 ILE 34 -1.129 -9.256 -4.201 270 HG13 ILE 34 3HG1 ILE 34 -0.068 -8.914 -2.849 271 HG21 ILE 34 1HG2 ILE 34 -0.039 -10.769 -6.200 272 HG22 ILE 34 2HG2 ILE 34 1.476 -11.601 -5.846 273 HG23 ILE 34 3HG2 ILE 34 1.472 -9.858 -6.106 274 HD11 ILE 34 1HD1 ILE 34 0.351 -8.044 -5.701 275 HD12 ILE 34 2HD1 ILE 34 1.457 -7.743 -4.362 276 HD13 ILE 34 3HD1 ILE 34 -0.156 -7.043 -4.340 277 H LEU 35 H LEU 35 -1.935 -10.661 -2.131 278 HA LEU 35 HA LEU 35 -0.559 -10.959 0.488 279 HB2 LEU 35 2HB LEU 35 -2.822 -9.049 -0.239 280 HB3 LEU 35 3HB LEU 35 -1.960 -9.105 1.290 281 HG LEU 35 HG LEU 35 -0.818 -8.206 -1.383 282 HD11 LEU 35 1HD1 LEU 35 -0.684 -5.994 -0.377 283 HD12 LEU 35 2HD1 LEU 35 -1.413 -6.595 1.111 284 HD13 LEU 35 3HD1 LEU 35 -2.347 -6.574 -0.387 285 HD21 LEU 35 1HD2 LEU 35 0.564 -8.332 1.310 286 HD22 LEU 35 2HD2 LEU 35 1.214 -7.579 -0.150 287 HD23 LEU 35 3HD2 LEU 35 0.932 -9.316 -0.109 288 H SER 36 H SER 36 -2.194 -11.100 2.329 289 HA SER 36 HA SER 36 -4.078 -13.227 1.972 290 HB2 SER 36 2HB SER 36 -3.669 -11.356 4.347 291 HB3 SER 36 3HB SER 36 -4.559 -12.879 4.376 292 HG SER 36 HG SER 36 -1.921 -12.922 3.449 293 HA PRO 37 HA PRO 37 -7.766 -10.924 0.639 294 HB2 PRO 37 2HB PRO 37 -9.173 -12.698 2.659 295 HB3 PRO 37 3HB PRO 37 -9.595 -12.358 0.963 296 HG2 PRO 37 2HG PRO 37 -8.436 -14.655 1.533 297 HG3 PRO 37 3HG PRO 37 -7.900 -13.735 0.108 298 HD2 PRO 37 2HD PRO 37 -6.557 -13.988 2.797 299 HD3 PRO 37 3HD PRO 37 -5.841 -13.986 1.167 300 H ASP 38 H ASP 38 -7.138 -11.314 4.080 301 HA ASP 38 HA ASP 38 -8.966 -9.364 5.063 302 HB2 ASP 38 2HB ASP 38 -6.408 -10.426 6.350 303 HB3 ASP 38 3HB ASP 38 -7.701 -9.569 7.188 304 H VAL 39 H VAL 39 -5.685 -9.188 3.840 305 HA VAL 39 HA VAL 39 -4.954 -6.643 4.915 306 HB VAL 39 HB VAL 39 -3.745 -8.066 2.496 307 HG11 VAL 39 1HG1 VAL 39 -1.699 -6.774 3.038 308 HG12 VAL 39 2HG1 VAL 39 -2.572 -5.939 4.325 309 HG13 VAL 39 3HG1 VAL 39 -3.057 -5.717 2.643 310 HG21 VAL 39 1HG2 VAL 39 -3.732 -9.540 4.480 311 HG22 VAL 39 2HG2 VAL 39 -2.903 -8.291 5.410 312 HG23 VAL 39 3HG2 VAL 39 -2.100 -9.044 4.028 313 H LEU 40 H LEU 40 -6.295 -7.693 1.756 314 HA LEU 40 HA LEU 40 -6.215 -5.065 0.589 315 HB2 LEU 40 2HB LEU 40 -7.444 -6.009 -1.274 316 HB3 LEU 40 3HB LEU 40 -6.181 -7.110 -0.778 317 HG LEU 40 HG LEU 40 -8.220 -8.250 0.583 318 HD11 LEU 40 1HD1 LEU 40 -10.302 -8.276 -0.689 319 HD12 LEU 40 2HD1 LEU 40 -9.673 -7.047 -1.789 320 HD13 LEU 40 3HD1 LEU 40 -9.944 -6.659 -0.089 321 HD21 LEU 40 1HD2 LEU 40 -6.783 -9.396 -1.019 322 HD22 LEU 40 2HD2 LEU 40 -7.738 -8.752 -2.358 323 HD23 LEU 40 3HD2 LEU 40 -8.470 -9.870 -1.201 324 H ASP 41 H ASP 41 -8.498 -6.846 2.505 325 HA ASP 41 HA ASP 41 -10.857 -5.384 1.959 326 HB2 ASP 41 2HB ASP 41 -10.956 -7.619 2.975 327 HB3 ASP 41 3HB ASP 41 -10.120 -7.038 4.414 328 H GLN 42 H GLN 42 -8.513 -5.158 4.663 329 HA GLN 42 HA GLN 42 -9.724 -2.977 5.968 330 HB2 GLN 42 2HB GLN 42 -7.634 -2.744 7.212 331 HB3 GLN 42 3HB GLN 42 -8.027 -4.449 7.030 332 HG2 GLN 42 2HG GLN 42 -6.400 -4.591 5.147 333 HG3 GLN 42 3HG GLN 42 -5.978 -2.905 5.429 334 HE21 GLN 42 1HE2 GLN 42 -3.845 -3.334 5.870 335 HE22 GLN 42 2HE2 GLN 42 -3.308 -4.176 7.281 336 H VAL 43 H VAL 43 -7.494 -3.094 3.239 337 HA VAL 43 HA VAL 43 -6.670 -0.390 3.173 338 HB VAL 43 HB VAL 43 -6.820 -2.521 0.998 339 HG11 VAL 43 1HG1 VAL 43 -5.429 -1.065 -0.437 340 HG12 VAL 43 2HG1 VAL 43 -5.596 0.248 0.732 341 HG13 VAL 43 3HG1 VAL 43 -7.014 -0.350 -0.131 342 HG21 VAL 43 1HG2 VAL 43 -4.425 -1.324 2.445 343 HG22 VAL 43 2HG2 VAL 43 -4.375 -2.613 1.238 344 HG23 VAL 43 3HG2 VAL 43 -5.152 -2.891 2.798 345 H ARG 44 H ARG 44 -9.298 -2.042 1.315 346 HA ARG 44 HA ARG 44 -10.215 0.344 0.057 347 HB2 ARG 44 2HB ARG 44 -12.261 -1.011 -0.558 348 HB3 ARG 44 3HB ARG 44 -10.721 -1.682 -1.075 349 HG2 ARG 44 2HG ARG 44 -10.897 -3.539 0.260 350 HG3 ARG 44 3HG ARG 44 -11.722 -2.678 1.555 351 HD2 ARG 44 2HD ARG 44 -13.085 -3.405 -1.053 352 HD3 ARG 44 3HD ARG 44 -13.074 -4.469 0.359 353 HE ARG 44 HE ARG 44 -13.977 -2.126 1.369 354 HH11 ARG 44 1HH1 ARG 44 -15.076 -4.065 -1.353 355 HH12 ARG 44 2HH1 ARG 44 -16.725 -3.560 -1.193 356 HH21 ARG 44 1HH2 ARG 44 -16.128 -1.559 1.628 357 HH22 ARG 44 2HH2 ARG 44 -17.320 -2.138 0.503 358 H GLU 45 H GLU 45 -10.883 -0.989 3.196 359 HA GLU 45 HA GLU 45 -13.279 0.561 3.688 360 HB2 GLU 45 2HB GLU 45 -11.456 -0.954 5.593 361 HB3 GLU 45 3HB GLU 45 -12.998 -0.238 6.039 362 HG2 GLU 45 2HG GLU 45 -12.643 -2.419 3.975 363 HG3 GLU 45 3HG GLU 45 -13.109 -2.694 5.644 364 H HIS 46 H HIS 46 -9.824 0.863 4.507 365 HA HIS 46 HA HIS 46 -10.078 3.350 5.944 366 HB2 HIS 46 2HB HIS 46 -7.611 2.033 4.716 367 HB3 HIS 46 3HB HIS 46 -7.567 3.448 5.763 368 HD1 HIS 46 HD1 HIS 46 -6.508 0.294 6.153 369 HD2 HIS 46 HD2 HIS 46 -9.458 2.371 8.222 370 HE1 HIS 46 HE1 HIS 46 -6.777 -0.909 8.337 371 HE2 HIS 46 HE2 HIS 46 -8.675 0.267 9.487 372 H ALA 47 H ALA 47 -9.857 2.440 2.656 373 HA ALA 47 HA ALA 47 -8.848 4.683 1.342 374 HB1 ALA 47 1HB ALA 47 -9.235 2.516 0.275 375 HB2 ALA 47 2HB ALA 47 -10.084 3.790 -0.602 376 HB3 ALA 47 3HB ALA 47 -10.980 2.705 0.464 377 H ARG 48 H ARG 48 -12.117 3.850 2.367 378 HA ARG 48 HA ARG 48 -13.466 6.009 1.136 379 HB2 ARG 48 2HB ARG 48 -14.289 4.140 3.391 380 HB3 ARG 48 3HB ARG 48 -15.382 5.299 2.635 381 HG2 ARG 48 2HG ARG 48 -15.098 4.186 0.459 382 HG3 ARG 48 3HG ARG 48 -13.967 3.037 1.175 383 HD2 ARG 48 2HD ARG 48 -15.714 2.081 2.547 384 HD3 ARG 48 3HD ARG 48 -16.860 3.335 2.053 385 HE ARG 48 HE ARG 48 -16.019 2.097 -0.280 386 HH11 ARG 48 1HH1 ARG 48 -17.711 1.063 2.630 387 HH12 ARG 48 2HH1 ARG 48 -18.612 -0.175 1.808 388 HH21 ARG 48 1HH2 ARG 48 -17.240 0.505 -1.359 389 HH22 ARG 48 2HH2 ARG 48 -18.343 -0.490 -0.459 390 H GLU 49 H GLU 49 -11.706 5.794 4.146 391 HA GLU 49 HA GLU 49 -12.769 8.063 5.483 392 HB2 GLU 49 2HB GLU 49 -9.946 6.914 5.573 393 HB3 GLU 49 3HB GLU 49 -10.552 8.153 6.671 394 HG2 GLU 49 2HG GLU 49 -12.248 6.558 7.518 395 HG3 GLU 49 3HG GLU 49 -11.606 5.320 6.437 396 H LEU 50 H LEU 50 -9.827 7.738 3.469 397 HA LEU 50 HA LEU 50 -9.137 10.486 3.435 398 HB2 LEU 50 2HB LEU 50 -8.314 8.274 1.501 399 HB3 LEU 50 3HB LEU 50 -7.516 9.832 1.659 400 HG LEU 50 HG LEU 50 -7.616 7.669 3.800 401 HD11 LEU 50 1HD1 LEU 50 -6.142 7.081 1.946 402 HD12 LEU 50 2HD1 LEU 50 -5.212 7.430 3.399 403 HD13 LEU 50 3HD1 LEU 50 -5.295 8.623 2.099 404 HD21 LEU 50 1HD2 LEU 50 -6.217 10.366 3.877 405 HD22 LEU 50 2HD2 LEU 50 -6.061 9.085 5.084 406 HD23 LEU 50 3HD2 LEU 50 -7.613 9.881 4.845 407 H GLN 51 H GLN 51 -11.103 8.503 1.369 408 HA GLN 51 HA GLN 51 -11.593 10.152 -0.839 409 HB2 GLN 51 2HB GLN 51 -12.297 7.797 -0.706 410 HB3 GLN 51 3HB GLN 51 -13.391 8.163 0.622 411 HG2 GLN 51 2HG GLN 51 -14.694 9.619 -0.978 412 HG3 GLN 51 3HG GLN 51 -13.668 9.002 -2.275 413 HE21 GLN 51 1HE2 GLN 51 -13.785 6.736 -2.764 414 HE22 GLN 51 2HE2 GLN 51 -15.191 5.821 -2.372 415 H LYS 52 H LYS 52 -13.337 9.899 2.282 416 HA LYS 52 HA LYS 52 -15.257 11.968 1.661 417 HB2 LYS 52 2HB LYS 52 -14.664 10.483 4.255 418 HB3 LYS 52 3HB LYS 52 -16.013 11.595 4.030 419 HG2 LYS 52 2HG LYS 52 -16.905 10.116 2.223 420 HG3 LYS 52 3HG LYS 52 -15.581 8.991 2.534 421 HD2 LYS 52 2HD LYS 52 -17.573 8.188 3.662 422 HD3 LYS 52 3HD LYS 52 -16.408 8.717 4.880 423 HE2 LYS 52 2HE LYS 52 -18.730 9.433 5.397 424 HE3 LYS 52 3HE LYS 52 -17.646 10.811 5.181 425 HZ1 LYS 52 1HZ LYS 52 -19.785 11.104 4.050 426 HZ2 LYS 52 2HZ LYS 52 -19.481 9.745 3.094 427 HZ3 LYS 52 3HZ LYS 52 -18.500 11.112 2.954 428 H GLN 53 H GLN 53 -12.202 11.823 3.363 429 HA GLN 53 HA GLN 53 -12.297 14.461 4.524 430 HB2 GLN 53 2HB GLN 53 -9.959 12.590 3.912 431 HB3 GLN 53 3HB GLN 53 -9.808 14.104 4.801 432 HG2 GLN 53 2HG GLN 53 -11.207 13.253 6.601 433 HG3 GLN 53 3HG GLN 53 -11.529 11.775 5.692 434 HE21 GLN 53 1HE2 GLN 53 -9.115 13.538 7.509 435 HE22 GLN 53 2HE2 GLN 53 -8.028 12.218 7.729 436 H GLY 54 H GLY 54 -11.579 13.111 1.414 437 HA2 GLY 54 2HA GLY 54 -11.283 14.074 -0.636 438 HA3 GLY 54 3HA GLY 54 -11.541 15.644 0.106 439 H ILE 55 H ILE 55 -9.057 13.529 1.314 440 HA ILE 55 HA ILE 55 -6.964 15.419 0.817 441 HB ILE 55 HB ILE 55 -6.780 12.538 1.834 442 HG12 ILE 55 2HG1 ILE 55 -6.739 15.167 3.388 443 HG13 ILE 55 3HG1 ILE 55 -8.091 14.048 3.327 444 HG21 ILE 55 1HG2 ILE 55 -4.501 13.123 2.630 445 HG22 ILE 55 2HG2 ILE 55 -4.645 14.710 1.875 446 HG23 ILE 55 3HG2 ILE 55 -4.620 13.258 0.873 447 HD11 ILE 55 1HD1 ILE 55 -5.390 13.512 4.563 448 HD12 ILE 55 2HD1 ILE 55 -6.720 12.354 4.463 449 HD13 ILE 55 3HD1 ILE 55 -6.908 13.830 5.407 450 H HIS 56 H HIS 56 -6.498 15.719 -1.309 451 HA HIS 56 HA HIS 56 -6.262 13.529 -3.181 452 HB2 HIS 56 2HB HIS 56 -7.039 15.725 -4.001 453 HB3 HIS 56 3HB HIS 56 -5.518 16.470 -3.493 454 HD1 HIS 56 HD1 HIS 56 -6.929 14.079 -6.054 455 HD2 HIS 56 HD2 HIS 56 -3.388 16.091 -5.273 456 HE1 HIS 56 HE1 HIS 56 -5.476 13.688 -8.060 457 HE2 HIS 56 HE2 HIS 56 -3.422 15.076 -7.641 458 H PHE 57 H PHE 57 -4.540 12.305 -3.343 459 HA PHE 57 HA PHE 57 -1.838 13.425 -3.035 460 HB2 PHE 57 2HB PHE 57 -1.122 11.277 -1.901 461 HB3 PHE 57 3HB PHE 57 -2.185 12.276 -0.920 462 HD1 PHE 57 HD1 PHE 57 -1.966 9.119 -2.866 463 HD2 PHE 57 HD2 PHE 57 -4.417 11.519 -0.300 464 HE1 PHE 57 HE1 PHE 57 -3.509 7.226 -2.560 465 HE2 PHE 57 HE2 PHE 57 -5.949 9.620 -0.004 466 HZ PHE 57 HZ PHE 57 -5.495 7.493 -1.134 467 H GLU 58 H GLU 58 -0.236 11.963 -4.044 468 HA GLU 58 HA GLU 58 -1.233 9.963 -5.906 469 HB2 GLU 58 2HB GLU 58 -1.225 12.147 -7.195 470 HB3 GLU 58 3HB GLU 58 0.508 12.273 -6.894 471 HG2 GLU 58 2HG GLU 58 0.037 11.399 -9.154 472 HG3 GLU 58 3HG GLU 58 0.914 10.224 -8.171 473 H VAL 59 H VAL 59 0.181 8.355 -6.205 474 HA VAL 59 HA VAL 59 2.481 8.093 -4.539 475 HB VAL 59 HB VAL 59 1.110 6.140 -5.012 476 HG11 VAL 59 1HG1 VAL 59 1.856 6.378 -7.940 477 HG12 VAL 59 2HG1 VAL 59 0.262 6.670 -7.242 478 HG13 VAL 59 3HG1 VAL 59 0.954 5.046 -7.208 479 HG21 VAL 59 1HG2 VAL 59 2.825 4.496 -5.639 480 HG22 VAL 59 2HG2 VAL 59 3.477 5.731 -4.561 481 HG23 VAL 59 3HG2 VAL 59 3.836 5.794 -6.283 482 H LYS 60 H LYS 60 4.334 9.127 -4.959 483 HA LYS 60 HA LYS 60 4.952 10.085 -7.675 484 HB2 LYS 60 2HB LYS 60 6.148 10.890 -4.995 485 HB3 LYS 60 3HB LYS 60 6.489 11.666 -6.538 486 HG2 LYS 60 2HG LYS 60 3.797 11.584 -5.144 487 HG3 LYS 60 3HG LYS 60 4.884 12.966 -5.205 488 HD2 LYS 60 2HD LYS 60 3.582 11.702 -7.653 489 HD3 LYS 60 3HD LYS 60 2.936 13.097 -6.796 490 HE2 LYS 60 2HE LYS 60 5.688 13.046 -8.078 491 HE3 LYS 60 3HE LYS 60 4.241 13.668 -8.869 492 HZ1 LYS 60 1HZ LYS 60 5.348 14.702 -6.318 493 HZ2 LYS 60 2HZ LYS 60 4.022 15.327 -7.162 494 HZ3 LYS 60 3HZ LYS 60 5.568 15.413 -7.833 495 H ARG 61 H ARG 61 6.403 8.160 -5.072 496 HA ARG 61 HA ARG 61 8.349 7.017 -6.930 497 HB2 ARG 61 2HB ARG 61 9.588 8.948 -6.199 498 HB3 ARG 61 3HB ARG 61 9.153 8.690 -4.514 499 HG2 ARG 61 2HG ARG 61 10.585 6.735 -4.379 500 HG3 ARG 61 3HG ARG 61 10.912 6.799 -6.116 501 HD2 ARG 61 2HD ARG 61 12.736 7.707 -4.598 502 HD3 ARG 61 3HD ARG 61 12.212 8.786 -5.891 503 HE ARG 61 HE ARG 61 10.817 9.923 -4.152 504 HH11 ARG 61 1HH1 ARG 61 13.761 8.238 -3.207 505 HH12 ARG 61 2HH1 ARG 61 13.992 9.215 -1.790 506 HH21 ARG 61 1HH2 ARG 61 11.124 11.156 -2.293 507 HH22 ARG 61 2HH2 ARG 61 12.499 10.856 -1.285 508 H VAL 62 H VAL 62 8.796 4.942 -6.443 509 HA VAL 62 HA VAL 62 7.946 3.822 -3.818 510 HB VAL 62 HB VAL 62 7.651 2.419 -6.535 511 HG11 VAL 62 1HG1 VAL 62 6.331 0.739 -5.287 512 HG12 VAL 62 2HG1 VAL 62 6.642 1.600 -3.779 513 HG13 VAL 62 3HG1 VAL 62 7.977 0.851 -4.657 514 HG21 VAL 62 1HG2 VAL 62 5.230 2.772 -6.335 515 HG22 VAL 62 2HG2 VAL 62 6.081 4.315 -6.376 516 HG23 VAL 62 3HG2 VAL 62 5.469 3.687 -4.845 517 H GLU 63 H GLU 63 9.725 3.069 -2.812 518 HA GLU 63 HA GLU 63 11.835 1.663 -4.355 519 HB2 GLU 63 2HB GLU 63 12.218 3.590 -2.006 520 HB3 GLU 63 3HB GLU 63 13.501 2.614 -2.719 521 HG2 GLU 63 2HG GLU 63 13.212 3.799 -4.877 522 HG3 GLU 63 3HG GLU 63 11.925 4.769 -4.169 523 H VAL 64 H VAL 64 11.703 -0.412 -3.777 524 HA VAL 64 HA VAL 64 10.485 -1.167 -1.210 525 HB VAL 64 HB VAL 64 9.319 -2.127 -3.069 526 HG11 VAL 64 1HG1 VAL 64 10.989 -1.944 -4.846 527 HG12 VAL 64 2HG1 VAL 64 10.302 -3.569 -4.802 528 HG13 VAL 64 3HG1 VAL 64 11.913 -3.273 -4.142 529 HG21 VAL 64 1HG2 VAL 64 9.586 -3.627 -1.149 530 HG22 VAL 64 2HG2 VAL 64 11.041 -4.315 -1.870 531 HG23 VAL 64 3HG2 VAL 64 9.476 -4.544 -2.654 532 H THR 65 H THR 65 11.796 -1.659 0.383 533 HA THR 65 HA THR 65 14.574 -2.579 -0.052 534 HB THR 65 HB THR 65 13.339 -1.147 2.353 535 HG1 THR 65 HG1 THR 65 14.325 0.686 1.520 536 HG21 THR 65 1HG2 THR 65 15.329 -2.515 2.971 537 HG22 THR 65 2HG2 THR 65 15.662 -0.788 3.103 538 HG23 THR 65 3HG2 THR 65 16.271 -1.698 1.720 539 H THR 66 H THR 66 15.201 -4.527 0.838 540 HA THR 66 HA THR 66 13.224 -6.139 2.296 541 HB THR 66 HB THR 66 14.904 -8.004 1.975 542 HG1 THR 66 HG1 THR 66 16.858 -7.539 1.313 543 HG21 THR 66 1HG2 THR 66 14.158 -6.548 -0.592 544 HG22 THR 66 2HG2 THR 66 13.105 -7.647 0.301 545 HG23 THR 66 3HG2 THR 66 14.576 -8.259 -0.457 546 H ASP 67 H ASP 67 13.200 -5.899 4.466 547 HA ASP 67 HA ASP 67 15.709 -5.356 5.979 548 HB2 ASP 67 2HB ASP 67 13.999 -3.552 6.145 549 HB3 ASP 67 3HB ASP 67 12.801 -4.721 6.685 550 H GLY 68 H GLY 68 16.315 -7.514 6.153 551 HA2 GLY 68 2HA GLY 68 16.435 -9.632 7.014 552 HA3 GLY 68 3HA GLY 68 15.123 -9.211 8.111 553 H ASN 69 H ASN 69 13.475 -10.609 7.859 554 HA ASN 69 HA ASN 69 12.772 -11.781 5.257 555 HB2 ASN 69 2HB ASN 69 11.536 -12.141 8.046 556 HB3 ASN 69 3HB ASN 69 10.997 -12.990 6.596 557 HD21 ASN 69 1HD2 ASN 69 11.428 -14.979 7.631 558 HD22 ASN 69 2HD2 ASN 69 13.036 -15.577 7.833 559 H THR 70 H THR 70 11.979 -9.005 7.075 560 HA THR 70 HA THR 70 9.172 -8.830 6.186 561 HB THR 70 HB THR 70 10.685 -6.921 8.027 562 HG1 THR 70 HG1 THR 70 9.264 -9.307 8.626 563 HG21 THR 70 1HG2 THR 70 8.445 -6.367 8.847 564 HG22 THR 70 2HG2 THR 70 7.722 -7.534 7.742 565 HG23 THR 70 3HG2 THR 70 8.521 -6.094 7.103 566 H VAL 71 H VAL 71 8.653 -7.484 4.483 567 HA VAL 71 HA VAL 71 10.839 -5.991 3.178 568 HB VAL 71 HB VAL 71 9.746 -7.660 1.809 569 HG11 VAL 71 1HG1 VAL 71 7.146 -6.224 2.170 570 HG12 VAL 71 2HG1 VAL 71 7.576 -7.768 2.910 571 HG13 VAL 71 3HG1 VAL 71 7.426 -7.639 1.153 572 HG21 VAL 71 1HG2 VAL 71 9.160 -6.327 -0.174 573 HG22 VAL 71 2HG2 VAL 71 10.564 -5.650 0.657 574 HG23 VAL 71 3HG2 VAL 71 8.981 -4.896 0.846 575 H ASN 72 H ASN 72 10.960 -3.899 3.518 576 HA ASN 72 HA ASN 72 8.608 -2.296 4.332 577 HB2 ASN 72 2HB ASN 72 11.596 -1.724 4.620 578 HB3 ASN 72 3HB ASN 72 10.320 -0.606 5.085 579 HD21 ASN 72 1HD2 ASN 72 10.520 -4.158 5.660 580 HD22 ASN 72 2HD2 ASN 72 10.508 -4.019 7.376 581 H VAL 73 H VAL 73 7.669 -1.573 2.491 582 HA VAL 73 HA VAL 73 9.230 -0.534 0.258 583 HB VAL 73 HB VAL 73 6.181 -0.620 0.595 584 HG11 VAL 73 1HG1 VAL 73 6.122 -0.284 -1.871 585 HG12 VAL 73 2HG1 VAL 73 7.877 -0.104 -1.886 586 HG13 VAL 73 3HG1 VAL 73 6.876 1.082 -1.043 587 HG21 VAL 73 1HG2 VAL 73 8.007 -2.550 -0.882 588 HG22 VAL 73 2HG2 VAL 73 6.242 -2.610 -0.871 589 HG23 VAL 73 3HG2 VAL 73 7.146 -2.889 0.620 590 H THR 74 H THR 74 10.112 1.391 0.667 591 HA THR 74 HA THR 74 8.762 3.505 2.149 592 HB THR 74 HB THR 74 11.473 3.473 0.734 593 HG1 THR 74 HG1 THR 74 10.763 3.064 3.473 594 HG21 THR 74 1HG2 THR 74 10.365 5.446 2.770 595 HG22 THR 74 2HG2 THR 74 10.662 5.782 1.062 596 HG23 THR 74 3HG2 THR 74 12.011 5.430 2.141 597 H VAL 75 H VAL 75 7.190 4.486 1.023 598 HA VAL 75 HA VAL 75 7.612 5.245 -1.807 599 HB VAL 75 HB VAL 75 6.022 3.481 -1.855 600 HG11 VAL 75 1HG1 VAL 75 5.479 3.435 0.572 601 HG12 VAL 75 2HG1 VAL 75 4.082 3.208 -0.475 602 HG13 VAL 75 3HG1 VAL 75 4.347 4.767 0.308 603 HG21 VAL 75 1HG2 VAL 75 3.940 4.527 -2.679 604 HG22 VAL 75 2HG2 VAL 75 5.385 5.331 -3.296 605 HG23 VAL 75 3HG2 VAL 75 4.457 6.069 -1.990 606 H GLU 76 H GLU 76 7.690 7.353 -2.097 607 HA GLU 76 HA GLU 76 6.666 9.290 -0.177 608 HB2 GLU 76 2HB GLU 76 8.878 9.650 -1.234 609 HB3 GLU 76 3HB GLU 76 8.131 9.666 -2.830 610 HG2 GLU 76 2HG GLU 76 6.750 11.671 -1.994 611 HG3 GLU 76 3HG GLU 76 7.844 11.721 -0.616 612 H LEU 77 H LEU 77 4.714 10.252 -0.383 613 HA LEU 77 HA LEU 77 3.399 10.417 -3.032 614 HB2 LEU 77 2HB LEU 77 2.017 10.135 -0.330 615 HB3 LEU 77 3HB LEU 77 1.213 10.422 -1.863 616 HG LEU 77 HG LEU 77 2.377 8.136 -2.590 617 HD11 LEU 77 1HD1 LEU 77 3.751 7.852 -0.601 618 HD12 LEU 77 2HD1 LEU 77 2.609 6.523 -0.787 619 HD13 LEU 77 3HD1 LEU 77 2.306 7.785 0.408 620 HD21 LEU 77 1HD2 LEU 77 -0.040 8.526 -2.478 621 HD22 LEU 77 2HD2 LEU 77 -0.020 8.186 -0.745 622 HD23 LEU 77 3HD2 LEU 77 0.393 6.919 -1.901 623 H GLU 78 H GLU 78 2.679 12.409 -3.611 624 HA GLU 78 HA GLU 78 3.341 14.684 -1.847 625 HB2 GLU 78 2HB GLU 78 4.255 14.544 -4.210 626 HB3 GLU 78 3HB GLU 78 2.609 14.724 -4.802 627 HG2 GLU 78 2HG GLU 78 2.475 16.944 -3.769 628 HG3 GLU 78 3HG GLU 78 4.103 16.760 -3.123 629 H GLU 79 H GLU 79 1.662 15.161 -0.551 630 HA GLU 79 HA GLU 79 -1.102 14.741 -1.436 631 HB2 GLU 79 2HB GLU 79 -0.129 15.370 1.385 632 HB3 GLU 79 3HB GLU 79 -1.724 14.797 0.907 633 HG2 GLU 79 2HG GLU 79 -0.513 12.685 0.034 634 HG3 GLU 79 3HG GLU 79 0.881 13.258 0.941 635 H THR 80 H THR 80 -2.019 16.454 -2.368 636 HA THR 80 HA THR 80 -1.693 19.173 -1.364 637 HB THR 80 HB THR 80 -3.565 18.159 -3.564 638 HG1 THR 80 HG1 THR 80 -1.061 19.435 -3.965 639 HG21 THR 80 1HG2 THR 80 -2.497 20.951 -2.969 640 HG22 THR 80 2HG2 THR 80 -4.149 20.404 -2.666 641 HG23 THR 80 3HG2 THR 80 -3.543 20.508 -4.319 642 H THR 81 H THR 81 -2.687 19.410 0.546 643 HA THR 81 HA THR 81 -5.529 18.643 0.869 644 HB THR 81 HB THR 81 -4.328 17.169 2.319 645 HG1 THR 81 HG1 THR 81 -4.805 18.793 4.419 646 HG21 THR 81 1HG2 THR 81 -2.118 18.253 2.368 647 HG22 THR 81 2HG2 THR 81 -2.661 17.879 4.006 648 HG23 THR 81 3HG2 THR 81 -2.759 19.535 3.405 649 H GLY 82 H GLY 82 -6.819 20.367 1.111 650 HA2 GLY 82 2HA GLY 82 -7.657 22.423 1.684 651 HA3 GLY 82 3HA GLY 82 -6.280 22.646 2.755 652 H GLY 83 H GLY 83 -4.391 23.608 1.926 653 HA2 GLY 83 2HA GLY 83 -4.358 24.702 -0.806 654 HA3 GLY 83 3HA GLY 83 -4.282 25.833 0.543 655 H THR 84 H THR 84 -2.827 22.864 1.238 656 HA THR 84 HA THR 84 -0.106 23.883 0.642 657 HB THR 84 HB THR 84 0.651 22.459 2.586 658 HG1 THR 84 HG1 THR 84 -2.159 22.105 2.929 659 HG21 THR 84 1HG2 THR 84 -1.413 24.553 3.355 660 HG22 THR 84 2HG2 THR 84 0.278 24.872 2.962 661 HG23 THR 84 3HG2 THR 84 -0.134 23.935 4.400 662 H THR 85 H THR 85 1.237 22.534 -0.465 663 HA THR 85 HA THR 85 0.446 19.705 -0.925 664 HB THR 85 HB THR 85 2.038 21.513 -2.824 665 HG1 THR 85 HG1 THR 85 -0.301 21.950 -2.604 666 HG21 THR 85 1HG2 THR 85 1.762 19.712 -4.471 667 HG22 THR 85 2HG2 THR 85 0.901 18.728 -3.288 668 HG23 THR 85 3HG2 THR 85 2.610 19.097 -3.051 669 H THR 86 H THR 86 1.845 18.345 0.110 670 HA THR 86 HA THR 86 4.701 19.029 0.365 671 HB THR 86 HB THR 86 3.008 18.171 2.770 672 HG1 THR 86 HG1 THR 86 3.801 20.675 1.802 673 HG21 THR 86 1HG2 THR 86 5.029 18.650 4.106 674 HG22 THR 86 2HG2 THR 86 5.928 19.045 2.640 675 HG23 THR 86 3HG2 THR 86 5.371 17.392 2.913 676 H ASN 87 H ASN 87 6.043 17.260 0.387 677 HA ASN 87 HA ASN 87 5.014 14.718 -0.502 678 HB2 ASN 87 2HB ASN 87 7.871 15.556 0.196 679 HB3 ASN 87 3HB ASN 87 7.409 14.098 -0.678 680 HD21 ASN 87 1HD2 ASN 87 6.732 14.288 -2.851 681 HD22 ASN 87 2HD2 ASN 87 6.970 15.735 -3.766 682 H THR 88 H THR 88 3.965 13.629 1.074 683 HA THR 88 HA THR 88 5.160 13.154 3.722 684 HB THR 88 HB THR 88 2.420 12.246 2.703 685 HG1 THR 88 HG1 THR 88 1.588 14.135 3.364 686 HG21 THR 88 1HG2 THR 88 1.835 12.168 5.107 687 HG22 THR 88 2HG2 THR 88 3.473 12.665 5.532 688 HG23 THR 88 3HG2 THR 88 3.199 11.102 4.758 689 H THR 89 H THR 89 6.319 11.334 3.970 690 HA THR 89 HA THR 89 6.296 9.233 1.948 691 HB THR 89 HB THR 89 8.078 9.479 4.419 692 HG1 THR 89 HG1 THR 89 8.347 11.300 3.079 693 HG21 THR 89 1HG2 THR 89 8.074 7.212 3.389 694 HG22 THR 89 2HG2 THR 89 9.628 8.020 3.176 695 HG23 THR 89 3HG2 THR 89 8.494 7.927 1.828 696 H TYR 90 H TYR 90 5.128 7.429 2.227 697 HA TYR 90 HA TYR 90 4.407 6.484 4.941 698 HB2 TYR 90 2HB TYR 90 3.210 5.836 2.199 699 HB3 TYR 90 3HB TYR 90 2.766 4.992 3.681 700 HD1 TYR 90 HD1 TYR 90 2.847 8.433 2.170 701 HD2 TYR 90 HD2 TYR 90 0.989 5.836 5.017 702 HE1 TYR 90 HE1 TYR 90 1.148 10.151 2.622 703 HE2 TYR 90 HE2 TYR 90 -0.705 7.556 5.470 704 HH TYR 90 HH TYR 90 -1.089 10.363 3.529 705 H GLU 91 H GLU 91 5.555 4.806 5.678 706 HA GLU 91 HA GLU 91 7.058 3.093 3.791 707 HB2 GLU 91 2HB GLU 91 7.560 3.653 6.752 708 HB3 GLU 91 3HB GLU 91 8.478 2.515 5.779 709 HG2 GLU 91 2HG GLU 91 9.044 4.484 4.242 710 HG3 GLU 91 3HG GLU 91 8.388 5.520 5.502 711 H LEU 92 H LEU 92 5.808 1.471 3.296 712 HA LEU 92 HA LEU 92 3.896 0.272 5.148 713 HB2 LEU 92 2HB LEU 92 4.464 -0.096 2.177 714 HB3 LEU 92 3HB LEU 92 3.207 -0.974 3.038 715 HG LEU 92 HG LEU 92 3.257 2.070 2.916 716 HD11 LEU 92 1HD1 LEU 92 3.115 1.286 0.634 717 HD12 LEU 92 2HD1 LEU 92 1.553 1.915 1.151 718 HD13 LEU 92 3HD1 LEU 92 1.813 0.169 1.057 719 HD21 LEU 92 1HD2 LEU 92 1.914 1.091 4.717 720 HD22 LEU 92 2HD2 LEU 92 1.028 0.127 3.530 721 HD23 LEU 92 3HD2 LEU 92 0.908 1.888 3.507 722 H ARG 93 H ARG 93 4.839 -1.115 6.503 723 HA ARG 93 HA ARG 93 7.028 -2.862 5.663 724 HB2 ARG 93 2HB ARG 93 7.214 -1.525 7.761 725 HB3 ARG 93 3HB ARG 93 5.801 -2.347 8.417 726 HG2 ARG 93 2HG ARG 93 6.987 -4.459 8.465 727 HG3 ARG 93 3HG ARG 93 8.372 -3.750 7.633 728 HD2 ARG 93 2HD ARG 93 8.763 -2.266 9.596 729 HD3 ARG 93 3HD ARG 93 7.400 -3.031 10.421 730 HE ARG 93 HE ARG 93 8.632 -5.026 10.627 731 HH11 ARG 93 1HH1 ARG 93 10.615 -2.491 9.165 732 HH12 ARG 93 2HH1 ARG 93 12.102 -3.331 9.489 733 HH21 ARG 93 1HH2 ARG 93 10.615 -6.092 11.001 734 HH22 ARG 93 2HH2 ARG 93 12.101 -5.337 10.511 735 H PHE 94 H PHE 94 6.134 -4.518 4.491 736 HA PHE 94 HA PHE 94 3.695 -5.889 5.333 737 HB2 PHE 94 2HB PHE 94 5.577 -6.427 3.001 738 HB3 PHE 94 3HB PHE 94 4.065 -7.255 3.272 739 HD1 PHE 94 HD1 PHE 94 5.601 -4.021 2.322 740 HD2 PHE 94 HD2 PHE 94 1.972 -6.281 2.588 741 HE1 PHE 94 HE1 PHE 94 4.439 -2.349 0.931 742 HE2 PHE 94 HE2 PHE 94 0.830 -4.602 1.197 743 HZ PHE 94 HZ PHE 94 2.061 -2.640 0.368 744 H GLU 95 H GLU 95 3.845 -7.454 6.830 745 HA GLU 95 HA GLU 95 6.355 -8.831 7.345 746 HB2 GLU 95 2HB GLU 95 5.026 -8.000 9.251 747 HB3 GLU 95 3HB GLU 95 3.671 -9.021 8.769 748 HG2 GLU 95 2HG GLU 95 4.890 -10.013 10.638 749 HG3 GLU 95 3HG GLU 95 5.025 -11.039 9.217 750 H VAL 96 H VAL 96 6.795 -10.857 6.784 751 HA VAL 96 HA VAL 96 4.846 -12.364 5.154 752 HB VAL 96 HB VAL 96 6.664 -13.430 4.025 753 HG11 VAL 96 1HG1 VAL 96 6.207 -11.177 3.214 754 HG12 VAL 96 2HG1 VAL 96 7.922 -11.546 3.039 755 HG13 VAL 96 3HG1 VAL 96 7.376 -10.491 4.348 756 HG21 VAL 96 1HG2 VAL 96 8.174 -13.891 5.900 757 HG22 VAL 96 2HG2 VAL 96 8.606 -12.185 6.015 758 HG23 VAL 96 3HG2 VAL 96 9.059 -13.116 4.585 759 H ASP 97 H ASP 97 4.483 -14.533 5.548 760 HA ASP 97 HA ASP 97 6.058 -15.959 7.573 761 HB2 ASP 97 2HB ASP 97 4.099 -15.283 8.858 762 HB3 ASP 97 3HB ASP 97 3.012 -15.774 7.570 763 H GLY 98 H GLY 98 6.950 -17.506 6.422 764 HA2 GLY 98 2HA GLY 98 7.139 -19.402 5.144 765 HA3 GLY 98 3HA GLY 98 5.412 -19.365 4.844 766 H ASP 99 H ASP 99 4.717 -18.693 2.913 767 HA ASP 99 HA ASP 99 6.737 -17.841 0.919 768 HB2 ASP 99 2HB ASP 99 5.412 -19.134 -0.726 769 HB3 ASP 99 3HB ASP 99 5.960 -20.161 0.592 770 H THR 100 H THR 100 4.040 -16.686 2.550 771 HA THR 100 HA THR 100 3.421 -14.726 0.431 772 HB THR 100 HB THR 100 1.640 -16.502 0.370 773 HG1 THR 100 HG1 THR 100 -0.110 -14.981 0.489 774 HG21 THR 100 1HG2 THR 100 0.954 -15.554 3.182 775 HG22 THR 100 2HG2 THR 100 1.626 -17.133 2.772 776 HG23 THR 100 3HG2 THR 100 0.012 -16.693 2.211 777 H ILE 101 H ILE 101 2.165 -12.862 1.301 778 HA ILE 101 HA ILE 101 3.323 -11.934 3.835 779 HB ILE 101 HB ILE 101 1.830 -10.407 1.654 780 HG12 ILE 101 2HG1 ILE 101 4.823 -10.474 2.256 781 HG13 ILE 101 3HG1 ILE 101 4.048 -11.290 0.907 782 HG21 ILE 101 1HG2 ILE 101 3.320 -9.322 4.067 783 HG22 ILE 101 2HG2 ILE 101 1.569 -9.315 3.842 784 HG23 ILE 101 3HG2 ILE 101 2.600 -8.350 2.784 785 HD11 ILE 101 1HD1 ILE 101 4.214 -8.301 1.315 786 HD12 ILE 101 2HD1 ILE 101 3.405 -9.114 -0.028 787 HD13 ILE 101 3HD1 ILE 101 5.148 -9.274 0.179 788 H ARG 102 H ARG 102 2.086 -11.541 5.608 789 HA ARG 102 HA ARG 102 -0.753 -12.370 5.585 790 HB2 ARG 102 2HB ARG 102 1.071 -12.065 8.001 791 HB3 ARG 102 3HB ARG 102 -0.465 -12.916 7.926 792 HG2 ARG 102 2HG ARG 102 2.086 -13.762 6.533 793 HG3 ARG 102 3HG ARG 102 1.477 -14.435 8.042 794 HD2 ARG 102 2HD ARG 102 -0.525 -15.268 6.840 795 HD3 ARG 102 3HD ARG 102 0.126 -14.614 5.330 796 HE ARG 102 HE ARG 102 2.139 -16.178 6.130 797 HH11 ARG 102 1HH1 ARG 102 -1.297 -16.905 5.874 798 HH12 ARG 102 2HH1 ARG 102 -1.023 -18.588 5.569 799 HH21 ARG 102 1HH2 ARG 102 2.474 -18.361 5.763 800 HH22 ARG 102 2HH2 ARG 102 1.124 -19.417 5.505 801 H ARG 103 H ARG 103 1.348 -9.642 6.184 802 HA ARG 103 HA ARG 103 -0.836 -8.015 7.315 803 HB2 ARG 103 2HB ARG 103 0.363 -9.258 9.192 804 HB3 ARG 103 3HB ARG 103 1.841 -8.416 8.757 805 HG2 ARG 103 2HG ARG 103 0.807 -6.258 9.350 806 HG3 ARG 103 3HG ARG 103 -0.711 -7.078 9.735 807 HD2 ARG 103 2HD ARG 103 0.544 -8.401 11.490 808 HD3 ARG 103 3HD ARG 103 1.951 -7.382 11.168 809 HE ARG 103 HE ARG 103 0.119 -5.534 11.740 810 HH11 ARG 103 1HH1 ARG 103 0.857 -8.531 13.441 811 HH12 ARG 103 2HH1 ARG 103 0.384 -7.910 14.991 812 HH21 ARG 103 1HH2 ARG 103 -0.509 -4.729 13.784 813 HH22 ARG 103 2HH2 ARG 103 -0.388 -5.757 15.179 814 H VAL 104 H VAL 104 -0.476 -5.773 7.143 815 HA VAL 104 HA VAL 104 2.138 -4.792 6.169 816 HB VAL 104 HB VAL 104 0.613 -4.699 4.232 817 HG11 VAL 104 1HG1 VAL 104 -1.420 -3.313 4.185 818 HG12 VAL 104 2HG1 VAL 104 -1.229 -2.965 5.905 819 HG13 VAL 104 3HG1 VAL 104 -1.554 -4.615 5.373 820 HG21 VAL 104 1HG2 VAL 104 1.128 -1.910 5.337 821 HG22 VAL 104 2HG2 VAL 104 0.868 -2.320 3.640 822 HG23 VAL 104 3HG2 VAL 104 2.303 -2.911 4.480 823 H THR 105 H THR 105 2.864 -3.022 7.266 824 HA THR 105 HA THR 105 1.151 -1.803 9.357 825 HB THR 105 HB THR 105 4.214 -1.971 9.317 826 HG1 THR 105 HG1 THR 105 2.241 -3.690 10.384 827 HG21 THR 105 1HG2 THR 105 3.333 -0.099 10.682 828 HG22 THR 105 2HG2 THR 105 4.024 -1.362 11.699 829 HG23 THR 105 3HG2 THR 105 2.273 -1.222 11.548 830 H VAL 106 H VAL 106 0.498 0.145 8.711 831 HA VAL 106 HA VAL 106 1.864 1.643 6.614 832 HB VAL 106 HB VAL 106 -0.717 2.325 8.106 833 HG11 VAL 106 1HG1 VAL 106 0.245 3.384 5.424 834 HG12 VAL 106 2HG1 VAL 106 0.442 4.239 6.954 835 HG13 VAL 106 3HG1 VAL 106 -1.172 3.903 6.341 836 HG21 VAL 106 1HG2 VAL 106 -1.943 1.385 6.174 837 HG22 VAL 106 2HG2 VAL 106 -0.957 0.153 6.964 838 HG23 VAL 106 3HG2 VAL 106 -0.418 0.873 5.448 839 H THR 107 H THR 107 3.610 2.741 7.379 840 HA THR 107 HA THR 107 3.446 4.194 9.948 841 HB THR 107 HB THR 107 5.915 3.570 8.262 842 HG1 THR 107 HG1 THR 107 5.233 1.613 8.939 843 HG21 THR 107 1HG2 THR 107 7.184 4.058 10.325 844 HG22 THR 107 2HG2 THR 107 5.687 4.449 11.170 845 HG23 THR 107 3HG2 THR 107 6.235 5.466 9.836 846 H GLN 108 H GLN 108 2.605 6.214 9.530 847 HA GLN 108 HA GLN 108 3.221 7.666 7.085 848 HB2 GLN 108 2HB GLN 108 0.969 7.797 8.245 849 HB3 GLN 108 3HB GLN 108 1.741 8.694 9.552 850 HG2 GLN 108 2HG GLN 108 2.375 10.475 7.961 851 HG3 GLN 108 3HG GLN 108 1.648 9.557 6.638 852 HE21 GLN 108 1HE2 GLN 108 0.112 11.073 6.082 853 HE22 GLN 108 2HE2 GLN 108 -1.195 11.529 7.114 854 H ASN 109 H ASN 109 5.339 8.100 7.061 855 HA ASN 109 HA ASN 109 6.942 8.865 9.290 856 HB2 ASN 109 2HB ASN 109 7.648 7.666 7.114 857 HB3 ASN 109 3HB ASN 109 7.617 9.242 6.340 858 HD21 ASN 109 1HD2 ASN 109 9.793 7.384 6.736 859 HD22 ASN 109 2HD2 ASN 109 11.024 8.236 7.577 860 H GLY 110 H GLY 110 6.843 10.784 10.251 861 HA2 GLY 110 2HA GLY 110 7.208 13.303 9.188 862 HA3 GLY 110 3HA GLY 110 5.462 13.062 9.205 863 H GLY 111 H GLY 111 5.043 11.625 11.465 864 HA2 GLY 111 2HA GLY 111 5.401 13.490 13.642 865 HA3 GLY 111 3HA GLY 111 4.632 11.908 13.717 866 H SER 112 H SER 112 6.847 13.365 15.345 867 HA SER 112 HA SER 112 9.272 11.973 15.027 868 HB2 SER 112 2HB SER 112 9.843 12.867 17.301 869 HB3 SER 112 3HB SER 112 9.185 14.107 16.236 870 HG SER 112 HG SER 112 8.122 13.006 18.548 871 H LEU 113 H LEU 113 9.672 9.914 15.352 872 HA LEU 113 HA LEU 113 7.849 8.040 16.443 873 HB2 LEU 113 2HB LEU 113 10.788 7.761 15.691 874 HB3 LEU 113 3HB LEU 113 9.808 6.414 16.244 875 HG LEU 113 HG LEU 113 8.289 6.761 14.246 876 HD11 LEU 113 1HD1 LEU 113 8.790 9.100 13.730 877 HD12 LEU 113 2HD1 LEU 113 9.047 8.060 12.331 878 HD13 LEU 113 3HD1 LEU 113 10.430 8.655 13.254 879 HD21 LEU 113 1HD2 LEU 113 11.186 6.157 13.593 880 HD22 LEU 113 2HD2 LEU 113 9.779 5.686 12.635 881 HD23 LEU 113 3HD2 LEU 113 10.006 5.017 14.247 882 H GLU 114 H GLU 114 10.560 9.780 17.781 883 HA GLU 114 HA GLU 114 10.267 8.460 20.413 884 HB2 GLU 114 2HB GLU 114 12.569 10.122 19.301 885 HB3 GLU 114 3HB GLU 114 12.517 9.401 20.908 886 HG2 GLU 114 2HG GLU 114 12.423 7.140 19.865 887 HG3 GLU 114 3HG GLU 114 12.560 7.894 18.278 888 H HIS 115 H HIS 115 10.216 9.812 22.291 889 HA HIS 115 HA HIS 115 9.722 12.712 21.962 890 HB2 HIS 115 2HB HIS 115 8.055 10.802 23.688 891 HB3 HIS 115 3HB HIS 115 7.926 12.565 23.733 892 HD1 HIS 115 HD1 HIS 115 6.710 9.590 21.942 893 HD2 HIS 115 HD2 HIS 115 6.854 13.689 21.252 894 HE1 HIS 115 HE1 HIS 115 5.128 10.012 20.042 895 HE2 HIS 115 HE2 HIS 115 5.041 12.516 19.840 896 H HIS 116 H HIS 116 11.315 13.716 23.095 897 HA HIS 116 HA HIS 116 12.310 12.513 25.613 898 HB2 HIS 116 2HB HIS 116 14.013 13.471 23.279 899 HB3 HIS 116 3HB HIS 116 14.665 13.201 24.889 900 HD1 HIS 116 HD1 HIS 116 15.130 10.802 25.601 901 HD2 HIS 116 HD2 HIS 116 13.288 11.074 21.885 902 HE1 HIS 116 HE1 HIS 116 15.234 8.492 24.616 903 HE2 HIS 116 HE2 HIS 116 14.323 8.754 22.290 904 H HIS 117 H HIS 117 12.936 13.887 27.173 905 HA HIS 117 HA HIS 117 13.606 16.623 26.840 906 HB2 HIS 117 2HB HIS 117 11.774 17.644 28.168 907 HB3 HIS 117 3HB HIS 117 11.177 16.954 26.666 908 HD1 HIS 117 HD1 HIS 117 9.893 17.429 29.775 909 HD2 HIS 117 HD2 HIS 117 10.380 13.946 27.552 910 HE1 HIS 117 HE1 HIS 117 8.201 15.806 30.673 911 HE2 HIS 117 HE2 HIS 117 8.500 13.724 29.304 912 H HIS 118 H HIS 118 14.572 17.465 28.753 913 HA HIS 118 HA HIS 118 15.839 15.279 30.211 914 HB2 HIS 118 2HB HIS 118 17.154 17.058 29.022 915 HB3 HIS 118 3HB HIS 118 16.532 18.255 30.150 916 HD1 HIS 118 HD1 HIS 118 18.257 18.833 31.829 917 HD2 HIS 118 HD2 HIS 118 18.507 14.833 30.722 918 HE1 HIS 118 HE1 HIS 118 20.106 17.867 33.214 919 HE2 HIS 118 HE2 HIS 118 20.334 15.488 32.429 920 H HIS 119 H HIS 119 13.231 17.218 30.911 921 HA HIS 119 HA HIS 119 11.937 17.578 32.711 922 HB2 HIS 119 2HB HIS 119 13.988 16.011 34.344 923 HB3 HIS 119 3HB HIS 119 12.436 16.570 34.957 924 HD1 HIS 119 HD1 HIS 119 12.710 13.714 35.266 925 HD2 HIS 119 HD2 HIS 119 11.479 15.304 31.628 926 HE1 HIS 119 HE1 HIS 119 11.497 11.859 34.094 927 HE2 HIS 119 HE2 HIS 119 10.833 12.826 31.870 928 H HIS 120 H HIS 120 15.248 17.843 34.057 929 HA HIS 120 HA HIS 120 14.762 20.560 34.987 930 HB2 HIS 120 2HB HIS 120 16.073 18.989 36.393 931 HB3 HIS 120 3HB HIS 120 17.277 18.818 35.118 932 HD1 HIS 120 HD1 HIS 120 18.745 20.962 34.629 933 HD2 HIS 120 HD2 HIS 120 16.452 21.150 38.090 934 HE1 HIS 120 HE1 HIS 120 19.705 22.854 35.966 935 HE2 HIS 120 HE2 HIS 120 18.445 22.785 38.140 Start of MODEL 3 1 H1 MET 1 1H MET 1 3.189 -17.599 -3.905 2 H2 MET 1 2H MET 1 1.824 -16.666 -4.240 3 H3 MET 1 3H MET 1 2.688 -16.417 -2.813 4 HA MET 1 HA MET 1 3.635 -15.895 -5.561 5 HB2 MET 1 2HB MET 1 2.001 -14.234 -4.626 6 HB3 MET 1 3HB MET 1 3.058 -13.991 -3.242 7 HG2 MET 1 2HG MET 1 3.351 -12.148 -4.740 8 HG3 MET 1 3HG MET 1 4.814 -13.131 -4.827 9 HE1 MET 1 1HE MET 1 5.196 -11.483 -7.042 10 HE2 MET 1 2HE MET 1 3.554 -10.836 -7.008 11 HE3 MET 1 3HE MET 1 4.179 -11.583 -8.478 12 H GLN 2 H GLN 2 5.639 -16.891 -5.486 13 HA GLN 2 HA GLN 2 7.417 -16.751 -3.211 14 HB2 GLN 2 2HB GLN 2 9.023 -17.954 -4.646 15 HB3 GLN 2 3HB GLN 2 7.435 -18.708 -4.687 16 HG2 GLN 2 2HG GLN 2 6.999 -17.593 -6.882 17 HG3 GLN 2 3HG GLN 2 8.639 -16.942 -6.835 18 HE21 GLN 2 1HE2 GLN 2 9.195 -18.033 -8.748 19 HE22 GLN 2 2HE2 GLN 2 9.450 -19.737 -8.808 20 H ASP 3 H ASP 3 6.841 -14.774 -5.990 21 HA ASP 3 HA ASP 3 9.312 -13.261 -5.868 22 HB2 ASP 3 2HB ASP 3 6.685 -12.752 -7.332 23 HB3 ASP 3 3HB ASP 3 8.100 -11.716 -7.472 24 H ILE 4 H ILE 4 9.178 -12.926 -3.579 25 HA ILE 4 HA ILE 4 7.055 -11.607 -2.237 26 HB ILE 4 HB ILE 4 9.912 -12.314 -1.443 27 HG12 ILE 4 2HG1 ILE 4 8.325 -14.219 -1.740 28 HG13 ILE 4 3HG1 ILE 4 8.865 -14.080 -0.073 29 HG21 ILE 4 1HG2 ILE 4 7.829 -11.094 0.397 30 HG22 ILE 4 2HG2 ILE 4 9.348 -10.353 -0.109 31 HG23 ILE 4 3HG2 ILE 4 9.368 -11.791 0.908 32 HD11 ILE 4 1HD1 ILE 4 6.713 -13.051 0.532 33 HD12 ILE 4 2HD1 ILE 4 6.508 -14.642 -0.199 34 HD13 ILE 4 3HD1 ILE 4 6.178 -13.193 -1.146 35 H VAL 5 H VAL 5 10.187 -10.447 -3.480 36 HA VAL 5 HA VAL 5 10.272 -7.894 -2.292 37 HB VAL 5 HB VAL 5 11.425 -8.649 -5.029 38 HG11 VAL 5 1HG1 VAL 5 12.318 -6.496 -3.070 39 HG12 VAL 5 2HG1 VAL 5 11.477 -6.225 -4.598 40 HG13 VAL 5 3HG1 VAL 5 13.109 -6.893 -4.599 41 HG21 VAL 5 1HG2 VAL 5 13.510 -9.277 -3.865 42 HG22 VAL 5 2HG2 VAL 5 12.160 -10.286 -3.347 43 HG23 VAL 5 3HG2 VAL 5 12.733 -8.988 -2.306 44 H GLU 6 H GLU 6 9.264 -8.836 -5.599 45 HA GLU 6 HA GLU 6 8.328 -6.273 -6.371 46 HB2 GLU 6 2HB GLU 6 9.049 -8.032 -8.012 47 HB3 GLU 6 3HB GLU 6 7.596 -8.956 -7.628 48 HG2 GLU 6 2HG GLU 6 6.213 -6.993 -8.387 49 HG3 GLU 6 3HG GLU 6 7.701 -6.186 -8.874 50 H ALA 7 H ALA 7 6.721 -9.101 -4.955 51 HA ALA 7 HA ALA 7 4.036 -8.414 -5.383 52 HB1 ALA 7 1HB ALA 7 3.501 -9.916 -3.524 53 HB2 ALA 7 2HB ALA 7 5.193 -9.914 -3.012 54 HB3 ALA 7 3HB ALA 7 4.739 -10.620 -4.562 55 H ALA 8 H ALA 8 6.175 -7.683 -2.630 56 HA ALA 8 HA ALA 8 4.314 -6.249 -1.066 57 HB1 ALA 8 1HB ALA 8 6.280 -5.452 0.177 58 HB2 ALA 8 2HB ALA 8 7.342 -6.035 -1.111 59 HB3 ALA 8 3HB ALA 8 6.391 -7.177 -0.159 60 H LYS 9 H LYS 9 6.625 -5.189 -3.558 61 HA LYS 9 HA LYS 9 6.273 -2.389 -3.213 62 HB2 LYS 9 2HB LYS 9 8.223 -3.448 -4.353 63 HB3 LYS 9 3HB LYS 9 7.181 -3.899 -5.700 64 HG2 LYS 9 2HG LYS 9 6.741 -1.482 -6.136 65 HG3 LYS 9 3HG LYS 9 7.840 -1.065 -4.815 66 HD2 LYS 9 2HD LYS 9 9.712 -2.142 -6.026 67 HD3 LYS 9 3HD LYS 9 8.613 -2.590 -7.333 68 HE2 LYS 9 2HE LYS 9 8.167 -0.153 -7.722 69 HE3 LYS 9 3HE LYS 9 9.388 0.223 -6.501 70 HZ1 LYS 9 1HZ LYS 9 10.286 0.320 -8.739 71 HZ2 LYS 9 2HZ LYS 9 9.873 -1.294 -9.008 72 HZ3 LYS 9 3HZ LYS 9 11.040 -0.900 -7.849 73 H GLN 10 H GLN 10 4.799 -4.680 -5.511 74 HA GLN 10 HA GLN 10 3.136 -2.866 -6.927 75 HB2 GLN 10 2HB GLN 10 2.940 -5.889 -6.535 76 HB3 GLN 10 3HB GLN 10 1.904 -4.990 -7.634 77 HG2 GLN 10 2HG GLN 10 4.923 -5.095 -7.865 78 HG3 GLN 10 3HG GLN 10 3.821 -6.157 -8.738 79 HE21 GLN 10 1HE2 GLN 10 2.582 -5.307 -10.437 80 HE22 GLN 10 2HE2 GLN 10 2.911 -3.763 -11.139 81 H ALA 11 H ALA 11 2.731 -4.760 -4.012 82 HA ALA 11 HA ALA 11 -0.056 -4.412 -3.598 83 HB1 ALA 11 1HB ALA 11 0.425 -5.172 -1.307 84 HB2 ALA 11 2HB ALA 11 2.158 -4.986 -1.604 85 HB3 ALA 11 3HB ALA 11 1.227 -6.185 -2.504 86 H ALA 12 H ALA 12 2.837 -2.677 -2.531 87 HA ALA 12 HA ALA 12 1.677 -0.827 -0.788 88 HB1 ALA 12 1HB ALA 12 4.117 -0.450 -2.551 89 HB2 ALA 12 2HB ALA 12 4.101 -1.189 -0.951 90 HB3 ALA 12 3HB ALA 12 3.699 0.518 -1.125 91 H ILE 13 H ILE 13 2.398 -0.569 -4.255 92 HA ILE 13 HA ILE 13 1.334 1.974 -4.795 93 HB ILE 13 HB ILE 13 1.474 -0.456 -6.656 94 HG12 ILE 13 2HG1 ILE 13 3.529 1.786 -6.305 95 HG13 ILE 13 3HG1 ILE 13 3.688 0.174 -5.622 96 HG21 ILE 13 1HG2 ILE 13 -0.006 1.294 -7.565 97 HG22 ILE 13 2HG2 ILE 13 1.468 1.163 -8.523 98 HG23 ILE 13 3HG2 ILE 13 1.276 2.493 -7.379 99 HD11 ILE 13 1HD1 ILE 13 3.620 0.852 -8.561 100 HD12 ILE 13 2HD1 ILE 13 3.754 -0.772 -7.882 101 HD13 ILE 13 3HD1 ILE 13 5.037 0.405 -7.609 102 H ALA 14 H ALA 14 -0.162 -1.265 -4.812 103 HA ALA 14 HA ALA 14 -2.697 -0.596 -5.859 104 HB1 ALA 14 1HB ALA 14 -1.820 -2.884 -5.823 105 HB2 ALA 14 2HB ALA 14 -3.415 -2.796 -5.073 106 HB3 ALA 14 3HB ALA 14 -1.965 -2.926 -4.068 107 H ILE 15 H ILE 15 -1.494 -0.632 -2.550 108 HA ILE 15 HA ILE 15 -3.934 -0.284 -1.162 109 HB ILE 15 HB ILE 15 -1.037 0.359 -0.465 110 HG12 ILE 15 2HG1 ILE 15 -2.975 -1.766 0.580 111 HG13 ILE 15 3HG1 ILE 15 -1.723 -2.040 -0.623 112 HG21 ILE 15 1HG2 ILE 15 -2.372 1.998 0.794 113 HG22 ILE 15 2HG2 ILE 15 -1.693 0.786 1.881 114 HG23 ILE 15 3HG2 ILE 15 -3.394 0.703 1.424 115 HD11 ILE 15 1HD1 ILE 15 -1.290 -1.311 2.266 116 HD12 ILE 15 2HD1 ILE 15 -0.016 -1.528 1.062 117 HD13 ILE 15 3HD1 ILE 15 -1.043 -2.888 1.515 118 H PHE 16 H PHE 16 -1.665 2.033 -2.622 119 HA PHE 16 HA PHE 16 -3.156 4.380 -1.836 120 HB2 PHE 16 2HB PHE 16 -0.944 4.050 -3.907 121 HB3 PHE 16 3HB PHE 16 -1.596 5.595 -3.364 122 HD1 PHE 16 HD1 PHE 16 -1.707 5.742 -0.623 123 HD2 PHE 16 HD2 PHE 16 1.099 3.471 -2.917 124 HE1 PHE 16 HE1 PHE 16 -0.120 5.781 1.260 125 HE2 PHE 16 HE2 PHE 16 2.666 3.515 -1.034 126 HZ PHE 16 HZ PHE 16 2.064 4.668 1.052 127 H GLN 17 H GLN 17 -3.161 2.241 -4.615 128 HA GLN 17 HA GLN 17 -4.758 3.851 -6.354 129 HB2 GLN 17 2HB GLN 17 -4.366 0.831 -6.268 130 HB3 GLN 17 3HB GLN 17 -5.184 1.686 -7.573 131 HG2 GLN 17 2HG GLN 17 -3.154 2.822 -8.205 132 HG3 GLN 17 3HG GLN 17 -2.301 2.213 -6.794 133 HE21 GLN 17 1HE2 GLN 17 -1.563 1.934 -9.591 134 HE22 GLN 17 2HE2 GLN 17 -1.460 0.238 -9.895 135 H LEU 18 H LEU 18 -5.509 1.654 -3.700 136 HA LEU 18 HA LEU 18 -8.380 1.885 -4.016 137 HB2 LEU 18 2HB LEU 18 -6.644 0.853 -1.737 138 HB3 LEU 18 3HB LEU 18 -8.397 0.937 -1.625 139 HG LEU 18 HG LEU 18 -6.836 -0.744 -3.628 140 HD11 LEU 18 1HD1 LEU 18 -8.458 -1.625 -1.215 141 HD12 LEU 18 2HD1 LEU 18 -6.700 -1.663 -1.366 142 HD13 LEU 18 3HD1 LEU 18 -7.690 -2.688 -2.399 143 HD21 LEU 18 1HD2 LEU 18 -9.016 -1.684 -4.289 144 HD22 LEU 18 2HD2 LEU 18 -8.928 0.043 -4.622 145 HD23 LEU 18 3HD2 LEU 18 -9.842 -0.539 -3.227 146 H TRP 19 H TRP 19 -5.870 3.467 -2.017 147 HA TRP 19 HA TRP 19 -7.619 4.906 -0.324 148 HB2 TRP 19 2HB TRP 19 -4.694 5.256 -1.030 149 HB3 TRP 19 3HB TRP 19 -5.509 6.399 0.031 150 HD1 TRP 19 HD1 TRP 19 -6.795 2.950 0.727 151 HE1 TRP 19 HE1 TRP 19 -5.691 2.026 2.854 152 HE3 TRP 19 HE3 TRP 19 -3.050 6.416 1.297 153 HZ2 TRP 19 HZ2 TRP 19 -3.534 2.665 4.549 154 HZ3 TRP 19 HZ3 TRP 19 -1.514 6.180 3.209 155 HH2 TRP 19 HH2 TRP 19 -1.753 4.345 4.804 156 H LYS 20 H LYS 20 -6.514 5.645 -3.564 157 HA LYS 20 HA LYS 20 -7.551 8.367 -3.583 158 HB2 LYS 20 2HB LYS 20 -6.929 8.428 -5.919 159 HB3 LYS 20 3HB LYS 20 -5.629 7.597 -5.070 160 HG2 LYS 20 2HG LYS 20 -6.425 5.432 -5.867 161 HG3 LYS 20 3HG LYS 20 -7.850 6.184 -6.581 162 HD2 LYS 20 2HD LYS 20 -6.120 7.542 -8.013 163 HD3 LYS 20 3HD LYS 20 -4.980 6.282 -7.534 164 HE2 LYS 20 2HE LYS 20 -7.620 5.813 -8.975 165 HE3 LYS 20 3HE LYS 20 -6.030 5.805 -9.728 166 HZ1 LYS 20 1HZ LYS 20 -5.432 3.893 -8.425 167 HZ2 LYS 20 2HZ LYS 20 -6.860 3.578 -9.274 168 HZ3 LYS 20 3HZ LYS 20 -6.919 3.916 -7.621 169 H ASN 21 H ASN 21 -8.716 5.151 -4.339 170 HA ASN 21 HA ASN 21 -11.434 5.965 -4.911 171 HB2 ASN 21 2HB ASN 21 -10.352 6.368 -7.122 172 HB3 ASN 21 3HB ASN 21 -9.700 4.731 -7.126 173 HD21 ASN 21 1HD2 ASN 21 -11.129 2.998 -7.508 174 HD22 ASN 21 2HD2 ASN 21 -12.701 3.233 -8.177 175 HA PRO 22 HA PRO 22 -10.919 1.992 -2.521 176 HB2 PRO 22 2HB PRO 22 -13.606 1.958 -1.661 177 HB3 PRO 22 3HB PRO 22 -12.272 2.772 -0.822 178 HG2 PRO 22 2HG PRO 22 -14.267 3.935 -2.740 179 HG3 PRO 22 3HG PRO 22 -13.675 4.593 -1.195 180 HD2 PRO 22 2HD PRO 22 -12.718 5.543 -3.483 181 HD3 PRO 22 3HD PRO 22 -11.608 5.254 -2.121 182 H THR 23 H THR 23 -13.297 2.738 -4.989 183 HA THR 23 HA THR 23 -14.187 -0.014 -5.338 184 HB THR 23 HB THR 23 -15.596 0.948 -7.169 185 HG1 THR 23 HG1 THR 23 -14.844 2.725 -8.031 186 HG21 THR 23 1HG2 THR 23 -17.052 2.374 -5.776 187 HG22 THR 23 2HG2 THR 23 -15.758 2.558 -4.591 188 HG23 THR 23 3HG2 THR 23 -16.491 0.974 -4.855 189 H ASP 24 H ASP 24 -11.295 1.075 -5.988 190 HA ASP 24 HA ASP 24 -10.945 0.731 -8.804 191 HB2 ASP 24 2HB ASP 24 -9.353 2.004 -7.245 192 HB3 ASP 24 3HB ASP 24 -8.772 0.447 -6.663 193 HA PRO 25 HA PRO 25 -11.514 -3.743 -8.364 194 HB2 PRO 25 2HB PRO 25 -11.484 -4.437 -11.022 195 HB3 PRO 25 3HB PRO 25 -12.861 -3.612 -10.264 196 HG2 PRO 25 2HG PRO 25 -10.651 -2.431 -11.918 197 HG3 PRO 25 3HG PRO 25 -12.402 -2.119 -11.991 198 HD2 PRO 25 2HD PRO 25 -10.679 -0.446 -10.695 199 HD3 PRO 25 3HD PRO 25 -12.360 -0.673 -10.165 200 H GLU 26 H GLU 26 -8.911 -2.392 -10.367 201 HA GLU 26 HA GLU 26 -7.447 -4.779 -10.770 202 HB2 GLU 26 2HB GLU 26 -6.572 -1.862 -10.921 203 HB3 GLU 26 3HB GLU 26 -5.587 -3.216 -11.461 204 HG2 GLU 26 2HG GLU 26 -8.268 -2.395 -12.606 205 HG3 GLU 26 3HG GLU 26 -6.692 -2.104 -13.339 206 H ALA 27 H ALA 27 -7.267 -2.219 -8.358 207 HA ALA 27 HA ALA 27 -4.772 -2.869 -7.195 208 HB1 ALA 27 1HB ALA 27 -5.838 -0.655 -6.999 209 HB2 ALA 27 2HB ALA 27 -5.448 -1.321 -5.412 210 HB3 ALA 27 3HB ALA 27 -7.114 -1.349 -6.002 211 H GLN 28 H GLN 28 -8.106 -3.432 -5.993 212 HA GLN 28 HA GLN 28 -7.249 -4.902 -3.695 213 HB2 GLN 28 2HB GLN 28 -9.682 -5.334 -3.327 214 HB3 GLN 28 3HB GLN 28 -9.285 -3.637 -3.568 215 HG2 GLN 28 2HG GLN 28 -10.023 -3.898 -5.978 216 HG3 GLN 28 3HG GLN 28 -10.620 -5.500 -5.551 217 HE21 GLN 28 1HE2 GLN 28 -11.086 -2.055 -5.126 218 HE22 GLN 28 2HE2 GLN 28 -12.679 -2.150 -4.466 219 H GLU 29 H GLU 29 -8.112 -5.872 -6.952 220 HA GLU 29 HA GLU 29 -8.473 -8.683 -6.405 221 HB2 GLU 29 2HB GLU 29 -9.457 -7.638 -8.434 222 HB3 GLU 29 3HB GLU 29 -7.848 -7.291 -9.060 223 HG2 GLU 29 2HG GLU 29 -7.376 -9.701 -9.225 224 HG3 GLU 29 3HG GLU 29 -8.948 -10.072 -8.532 225 H LEU 30 H LEU 30 -5.679 -6.665 -7.480 226 HA LEU 30 HA LEU 30 -3.940 -8.925 -7.792 227 HB2 LEU 30 2HB LEU 30 -2.185 -7.442 -8.302 228 HB3 LEU 30 3HB LEU 30 -3.628 -6.707 -8.948 229 HG LEU 30 HG LEU 30 -3.529 -5.278 -6.677 230 HD11 LEU 30 1HD1 LEU 30 -1.638 -6.413 -5.646 231 HD12 LEU 30 2HD1 LEU 30 -1.226 -4.736 -5.985 232 HD13 LEU 30 3HD1 LEU 30 -0.607 -6.021 -7.024 233 HD21 LEU 30 1HD2 LEU 30 -1.743 -4.672 -9.059 234 HD22 LEU 30 2HD2 LEU 30 -2.298 -3.503 -7.854 235 HD23 LEU 30 3HD2 LEU 30 -3.462 -4.293 -8.914 236 H LEU 31 H LEU 31 -4.743 -6.794 -5.118 237 HA LEU 31 HA LEU 31 -2.867 -7.749 -3.203 238 HB2 LEU 31 2HB LEU 31 -5.603 -6.465 -2.896 239 HB3 LEU 31 3HB LEU 31 -4.608 -6.885 -1.510 240 HG LEU 31 HG LEU 31 -3.830 -4.890 -3.678 241 HD11 LEU 31 1HD1 LEU 31 -5.669 -4.043 -2.285 242 HD12 LEU 31 2HD1 LEU 31 -4.179 -3.153 -1.991 243 HD13 LEU 31 3HD1 LEU 31 -4.728 -4.361 -0.823 244 HD21 LEU 31 1HD2 LEU 31 -2.409 -5.618 -1.095 245 HD22 LEU 31 2HD2 LEU 31 -1.951 -4.315 -2.198 246 HD23 LEU 31 3HD2 LEU 31 -1.866 -5.990 -2.735 247 H ASN 32 H ASN 32 -5.890 -9.055 -4.392 248 HA ASN 32 HA ASN 32 -6.304 -11.010 -2.332 249 HB2 ASN 32 2HB ASN 32 -8.102 -10.209 -3.870 250 HB3 ASN 32 3HB ASN 32 -7.303 -10.992 -5.223 251 HD21 ASN 32 1HD2 ASN 32 -9.238 -11.462 -2.374 252 HD22 ASN 32 2HD2 ASN 32 -9.637 -13.118 -2.666 253 H LYS 33 H LYS 33 -4.345 -10.842 -5.188 254 HA LYS 33 HA LYS 33 -3.872 -13.678 -5.504 255 HB2 LYS 33 2HB LYS 33 -2.548 -11.239 -6.780 256 HB3 LYS 33 3HB LYS 33 -2.318 -12.906 -7.306 257 HG2 LYS 33 2HG LYS 33 -4.623 -13.085 -8.027 258 HG3 LYS 33 3HG LYS 33 -5.027 -11.535 -7.284 259 HD2 LYS 33 2HD LYS 33 -4.827 -11.309 -9.721 260 HD3 LYS 33 3HD LYS 33 -3.589 -10.360 -8.898 261 HE2 LYS 33 2HE LYS 33 -2.666 -11.502 -10.861 262 HE3 LYS 33 3HE LYS 33 -1.922 -12.109 -9.383 263 HZ1 LYS 33 1HZ LYS 33 -2.497 -13.869 -10.962 264 HZ2 LYS 33 2HZ LYS 33 -4.129 -13.459 -10.841 265 HZ3 LYS 33 3HZ LYS 33 -3.309 -14.056 -9.492 266 H ILE 34 H ILE 34 -2.106 -10.878 -4.166 267 HA ILE 34 HA ILE 34 0.281 -12.590 -3.668 268 HB ILE 34 HB ILE 34 1.613 -10.507 -3.665 269 HG12 ILE 34 2HG1 ILE 34 -1.050 -9.109 -4.219 270 HG13 ILE 34 3HG1 ILE 34 -0.011 -8.877 -2.824 271 HG21 ILE 34 1HG2 ILE 34 1.434 -9.989 -6.077 272 HG22 ILE 34 2HG2 ILE 34 -0.157 -10.751 -6.132 273 HG23 ILE 34 3HG2 ILE 34 1.273 -11.725 -5.791 274 HD11 ILE 34 1HD1 ILE 34 0.166 -7.015 -4.328 275 HD12 ILE 34 2HD1 ILE 34 0.610 -8.079 -5.661 276 HD13 ILE 34 3HD1 ILE 34 1.696 -7.889 -4.281 277 H LEU 35 H LEU 35 -1.923 -10.326 -2.087 278 HA LEU 35 HA LEU 35 -0.557 -10.615 0.520 279 HB2 LEU 35 2HB LEU 35 -2.255 -8.499 -0.745 280 HB3 LEU 35 3HB LEU 35 -2.620 -8.791 0.941 281 HG LEU 35 HG LEU 35 -0.999 -6.904 0.509 282 HD11 LEU 35 1HD1 LEU 35 -1.142 -7.954 2.723 283 HD12 LEU 35 2HD1 LEU 35 0.498 -7.427 2.371 284 HD13 LEU 35 3HD1 LEU 35 0.081 -9.139 2.260 285 HD21 LEU 35 1HD2 LEU 35 1.342 -7.404 -0.020 286 HD22 LEU 35 2HD2 LEU 35 0.283 -7.921 -1.330 287 HD23 LEU 35 3HD2 LEU 35 0.951 -9.116 -0.218 288 H SER 36 H SER 36 -2.256 -10.473 2.380 289 HA SER 36 HA SER 36 -3.925 -12.832 2.275 290 HB2 SER 36 2HB SER 36 -3.435 -10.804 4.497 291 HB3 SER 36 3HB SER 36 -4.267 -12.347 4.686 292 HG SER 36 HG SER 36 -1.574 -11.962 3.903 293 HA PRO 37 HA PRO 37 -7.811 -10.941 1.089 294 HB2 PRO 37 2HB PRO 37 -9.606 -12.373 2.708 295 HB3 PRO 37 3HB PRO 37 -8.909 -12.969 1.194 296 HG2 PRO 37 2HG PRO 37 -8.009 -13.502 4.011 297 HG3 PRO 37 3HG PRO 37 -8.177 -14.634 2.647 298 HD2 PRO 37 2HD PRO 37 -5.769 -13.701 3.335 299 HD3 PRO 37 3HD PRO 37 -6.195 -13.889 1.616 300 H ASP 38 H ASP 38 -7.160 -11.101 4.573 301 HA ASP 38 HA ASP 38 -9.079 -9.222 5.485 302 HB2 ASP 38 2HB ASP 38 -7.976 -10.735 7.051 303 HB3 ASP 38 3HB ASP 38 -6.391 -10.079 6.664 304 H VAL 39 H VAL 39 -5.803 -8.873 4.226 305 HA VAL 39 HA VAL 39 -5.255 -6.240 5.084 306 HB VAL 39 HB VAL 39 -4.069 -7.835 2.769 307 HG11 VAL 39 1HG1 VAL 39 -3.072 -5.200 3.934 308 HG12 VAL 39 2HG1 VAL 39 -3.700 -5.455 2.305 309 HG13 VAL 39 3HG1 VAL 39 -2.181 -6.204 2.787 310 HG21 VAL 39 1HG2 VAL 39 -2.178 -8.217 4.331 311 HG22 VAL 39 2HG2 VAL 39 -3.693 -8.830 4.991 312 HG23 VAL 39 3HG2 VAL 39 -3.031 -7.307 5.585 313 H LEU 40 H LEU 40 -6.370 -7.415 1.865 314 HA LEU 40 HA LEU 40 -6.574 -4.848 0.696 315 HB2 LEU 40 2HB LEU 40 -7.830 -5.905 -1.106 316 HB3 LEU 40 3HB LEU 40 -6.464 -6.892 -0.638 317 HG LEU 40 HG LEU 40 -8.387 -8.116 0.859 318 HD11 LEU 40 1HD1 LEU 40 -9.946 -7.189 -1.573 319 HD12 LEU 40 2HD1 LEU 40 -10.240 -6.710 0.101 320 HD13 LEU 40 3HD1 LEU 40 -10.470 -8.388 -0.383 321 HD21 LEU 40 1HD2 LEU 40 -7.867 -8.764 -2.047 322 HD22 LEU 40 2HD2 LEU 40 -8.497 -9.865 -0.815 323 HD23 LEU 40 3HD2 LEU 40 -6.858 -9.237 -0.677 324 H ASP 41 H ASP 41 -8.727 -6.671 2.721 325 HA ASP 41 HA ASP 41 -11.160 -5.337 2.072 326 HB2 ASP 41 2HB ASP 41 -11.024 -7.674 2.975 327 HB3 ASP 41 3HB ASP 41 -10.518 -7.025 4.531 328 H GLN 42 H GLN 42 -8.958 -5.114 4.913 329 HA GLN 42 HA GLN 42 -10.343 -2.972 6.152 330 HB2 GLN 42 2HB GLN 42 -8.235 -2.629 7.492 331 HB3 GLN 42 3HB GLN 42 -8.874 -4.265 7.537 332 HG2 GLN 42 2HG GLN 42 -7.166 -5.054 6.032 333 HG3 GLN 42 3HG GLN 42 -6.583 -3.421 5.740 334 HE21 GLN 42 1HE2 GLN 42 -5.245 -5.869 6.814 335 HE22 GLN 42 2HE2 GLN 42 -4.520 -5.358 8.294 336 H VAL 43 H VAL 43 -7.688 -3.032 3.795 337 HA VAL 43 HA VAL 43 -7.009 -0.292 3.847 338 HB VAL 43 HB VAL 43 -6.657 -2.403 1.667 339 HG11 VAL 43 1HG1 VAL 43 -6.764 -0.235 0.508 340 HG12 VAL 43 2HG1 VAL 43 -5.108 -0.842 0.502 341 HG13 VAL 43 3HG1 VAL 43 -5.571 0.447 1.617 342 HG21 VAL 43 1HG2 VAL 43 -4.646 -1.080 3.541 343 HG22 VAL 43 2HG2 VAL 43 -4.278 -2.332 2.349 344 HG23 VAL 43 3HG2 VAL 43 -5.314 -2.703 3.728 345 H ARG 44 H ARG 44 -9.397 -2.058 1.849 346 HA ARG 44 HA ARG 44 -10.088 0.235 0.262 347 HB2 ARG 44 2HB ARG 44 -11.776 -1.144 -0.788 348 HB3 ARG 44 3HB ARG 44 -10.321 -2.108 -0.578 349 HG2 ARG 44 2HG ARG 44 -11.435 -3.016 1.554 350 HG3 ARG 44 3HG ARG 44 -12.921 -2.294 0.944 351 HD2 ARG 44 2HD ARG 44 -11.255 -4.405 -0.472 352 HD3 ARG 44 3HD ARG 44 -12.761 -4.690 0.395 353 HE ARG 44 HE ARG 44 -12.437 -3.693 -2.269 354 HH11 ARG 44 1HH1 ARG 44 -14.670 -3.656 0.460 355 HH12 ARG 44 2HH1 ARG 44 -16.052 -3.350 -0.544 356 HH21 ARG 44 1HH2 ARG 44 -14.258 -3.409 -3.544 357 HH22 ARG 44 2HH2 ARG 44 -15.812 -3.212 -2.803 358 H GLU 45 H GLU 45 -11.264 -1.069 3.323 359 HA GLU 45 HA GLU 45 -13.687 0.453 3.523 360 HB2 GLU 45 2HB GLU 45 -11.910 -0.757 5.688 361 HB3 GLU 45 3HB GLU 45 -13.460 0.016 6.018 362 HG2 GLU 45 2HG GLU 45 -14.605 -1.655 4.620 363 HG3 GLU 45 3HG GLU 45 -13.062 -2.440 4.288 364 H HIS 46 H HIS 46 -10.374 1.000 4.714 365 HA HIS 46 HA HIS 46 -10.823 3.546 5.909 366 HB2 HIS 46 2HB HIS 46 -8.228 2.383 4.788 367 HB3 HIS 46 3HB HIS 46 -8.332 3.798 5.835 368 HD1 HIS 46 HD1 HIS 46 -7.191 0.622 6.194 369 HD2 HIS 46 HD2 HIS 46 -10.137 2.681 8.277 370 HE1 HIS 46 HE1 HIS 46 -7.383 -0.542 8.406 371 HE2 HIS 46 HE2 HIS 46 -9.285 0.614 9.568 372 H ALA 47 H ALA 47 -10.010 2.476 2.697 373 HA ALA 47 HA ALA 47 -9.315 4.902 1.454 374 HB1 ALA 47 1HB ALA 47 -10.515 2.366 0.308 375 HB2 ALA 47 2HB ALA 47 -8.798 2.723 0.506 376 HB3 ALA 47 3HB ALA 47 -9.761 3.658 -0.634 377 H ARG 48 H ARG 48 -12.462 3.389 2.069 378 HA ARG 48 HA ARG 48 -14.120 5.066 0.493 379 HB2 ARG 48 2HB ARG 48 -14.731 3.608 3.105 380 HB3 ARG 48 3HB ARG 48 -15.955 4.363 2.085 381 HG2 ARG 48 2HG ARG 48 -15.516 2.806 0.284 382 HG3 ARG 48 3HG ARG 48 -14.122 2.142 1.133 383 HD2 ARG 48 2HD ARG 48 -15.987 0.609 1.322 384 HD3 ARG 48 3HD ARG 48 -15.639 1.294 2.912 385 HE ARG 48 HE ARG 48 -17.752 2.535 1.296 386 HH11 ARG 48 1HH1 ARG 48 -16.958 0.433 4.013 387 HH12 ARG 48 2HH1 ARG 48 -18.546 0.536 4.699 388 HH21 ARG 48 1HH2 ARG 48 -19.811 2.672 2.229 389 HH22 ARG 48 2HH2 ARG 48 -20.163 1.806 3.688 390 H GLU 49 H GLU 49 -12.759 5.391 3.723 391 HA GLU 49 HA GLU 49 -14.206 7.764 4.442 392 HB2 GLU 49 2HB GLU 49 -11.630 6.717 5.694 393 HB3 GLU 49 3HB GLU 49 -12.794 7.817 6.422 394 HG2 GLU 49 2HG GLU 49 -13.140 4.870 5.847 395 HG3 GLU 49 3HG GLU 49 -13.135 5.667 7.417 396 H LEU 50 H LEU 50 -11.074 7.080 2.985 397 HA LEU 50 HA LEU 50 -10.096 9.786 2.981 398 HB2 LEU 50 2HB LEU 50 -9.222 7.410 1.288 399 HB3 LEU 50 3HB LEU 50 -8.317 8.902 1.506 400 HG LEU 50 HG LEU 50 -8.908 6.833 3.664 401 HD11 LEU 50 1HD1 LEU 50 -6.494 6.429 3.683 402 HD12 LEU 50 2HD1 LEU 50 -6.284 7.560 2.344 403 HD13 LEU 50 3HD1 LEU 50 -7.205 6.072 2.109 404 HD21 LEU 50 1HD2 LEU 50 -8.919 9.066 4.647 405 HD22 LEU 50 2HD2 LEU 50 -7.343 9.411 3.935 406 HD23 LEU 50 3HD2 LEU 50 -7.502 8.156 5.165 407 H GLN 51 H GLN 51 -12.145 7.889 0.912 408 HA GLN 51 HA GLN 51 -12.201 9.575 -1.394 409 HB2 GLN 51 2HB GLN 51 -12.989 7.221 -1.447 410 HB3 GLN 51 3HB GLN 51 -14.267 7.604 -0.302 411 HG2 GLN 51 2HG GLN 51 -15.211 7.417 -2.518 412 HG3 GLN 51 3HG GLN 51 -15.311 9.099 -2.002 413 HE21 GLN 51 1HE2 GLN 51 -13.759 6.857 -4.177 414 HE22 GLN 51 2HE2 GLN 51 -13.069 8.039 -5.225 415 H LYS 52 H LYS 52 -14.167 9.319 1.566 416 HA LYS 52 HA LYS 52 -16.087 11.320 1.076 417 HB2 LYS 52 2HB LYS 52 -14.904 10.367 3.728 418 HB3 LYS 52 3HB LYS 52 -16.330 11.398 3.599 419 HG2 LYS 52 2HG LYS 52 -17.575 9.649 2.482 420 HG3 LYS 52 3HG LYS 52 -16.141 8.620 2.396 421 HD2 LYS 52 2HD LYS 52 -16.093 8.507 4.885 422 HD3 LYS 52 3HD LYS 52 -17.554 9.501 4.949 423 HE2 LYS 52 2HE LYS 52 -18.808 7.747 3.755 424 HE3 LYS 52 3HE LYS 52 -17.341 6.766 3.644 425 HZ1 LYS 52 1HZ LYS 52 -18.561 7.625 6.207 426 HZ2 LYS 52 2HZ LYS 52 -17.292 6.526 5.996 427 HZ3 LYS 52 3HZ LYS 52 -18.849 6.131 5.473 428 H GLN 53 H GLN 53 -12.896 11.472 2.580 429 HA GLN 53 HA GLN 53 -12.916 14.283 3.140 430 HB2 GLN 53 2HB GLN 53 -10.582 12.324 2.958 431 HB3 GLN 53 3HB GLN 53 -10.484 13.966 3.595 432 HG2 GLN 53 2HG GLN 53 -12.060 13.369 5.399 433 HG3 GLN 53 3HG GLN 53 -12.158 11.725 4.763 434 HE21 GLN 53 1HE2 GLN 53 -10.359 10.345 4.997 435 HE22 GLN 53 2HE2 GLN 53 -9.090 10.681 6.124 436 H GLY 54 H GLY 54 -12.031 12.311 0.384 437 HA2 GLY 54 2HA GLY 54 -11.522 12.827 -1.778 438 HA3 GLY 54 3HA GLY 54 -11.946 14.496 -1.433 439 H ILE 55 H ILE 55 -9.401 12.356 -0.139 440 HA ILE 55 HA ILE 55 -7.409 14.458 -0.269 441 HB ILE 55 HB ILE 55 -7.052 11.524 0.517 442 HG12 ILE 55 2HG1 ILE 55 -7.525 13.959 2.308 443 HG13 ILE 55 3HG1 ILE 55 -8.711 12.707 1.963 444 HG21 ILE 55 1HG2 ILE 55 -4.916 12.598 -0.106 445 HG22 ILE 55 2HG2 ILE 55 -4.966 12.280 1.627 446 HG23 ILE 55 3HG2 ILE 55 -5.231 13.917 1.026 447 HD11 ILE 55 1HD1 ILE 55 -6.131 12.354 3.477 448 HD12 ILE 55 2HD1 ILE 55 -7.260 11.058 3.069 449 HD13 ILE 55 3HD1 ILE 55 -7.768 12.368 4.131 450 H HIS 56 H HIS 56 -6.610 14.927 -2.249 451 HA HIS 56 HA HIS 56 -5.945 12.815 -4.177 452 HB2 HIS 56 2HB HIS 56 -7.019 14.963 -4.948 453 HB3 HIS 56 3HB HIS 56 -5.594 15.843 -4.411 454 HD1 HIS 56 HD1 HIS 56 -7.023 14.426 -7.363 455 HD2 HIS 56 HD2 HIS 56 -3.140 14.799 -5.925 456 HE1 HIS 56 HE1 HIS 56 -5.530 14.189 -9.367 457 HE2 HIS 56 HE2 HIS 56 -3.202 14.467 -8.476 458 H PHE 57 H PHE 57 -4.020 11.876 -4.009 459 HA PHE 57 HA PHE 57 -1.617 13.434 -3.262 460 HB2 PHE 57 2HB PHE 57 -0.730 11.302 -2.167 461 HB3 PHE 57 3HB PHE 57 -2.048 12.087 -1.303 462 HD1 PHE 57 HD1 PHE 57 -1.193 9.189 -3.482 463 HD2 PHE 57 HD2 PHE 57 -4.147 10.957 -0.944 464 HE1 PHE 57 HE1 PHE 57 -2.493 7.112 -3.540 465 HE2 PHE 57 HE2 PHE 57 -5.440 8.859 -1.007 466 HZ PHE 57 HZ PHE 57 -4.605 6.946 -2.312 467 H GLU 58 H GLU 58 0.364 12.544 -4.179 468 HA GLU 58 HA GLU 58 0.013 10.831 -6.563 469 HB2 GLU 58 2HB GLU 58 1.529 12.363 -7.836 470 HB3 GLU 58 3HB GLU 58 0.008 13.127 -7.392 471 HG2 GLU 58 2HG GLU 58 1.114 14.353 -5.572 472 HG3 GLU 58 3HG GLU 58 2.634 13.533 -5.915 473 H VAL 59 H VAL 59 1.503 9.242 -6.688 474 HA VAL 59 HA VAL 59 3.569 8.981 -4.703 475 HB VAL 59 HB VAL 59 2.490 6.937 -5.422 476 HG11 VAL 59 1HG1 VAL 59 3.484 7.477 -8.237 477 HG12 VAL 59 2HG1 VAL 59 1.808 7.541 -7.690 478 HG13 VAL 59 3HG1 VAL 59 2.672 6.001 -7.702 479 HG21 VAL 59 1HG2 VAL 59 4.446 5.516 -5.960 480 HG22 VAL 59 2HG2 VAL 59 4.861 6.735 -4.754 481 HG23 VAL 59 3HG2 VAL 59 5.367 6.951 -6.429 482 H LYS 60 H LYS 60 5.520 9.802 -4.808 483 HA LYS 60 HA LYS 60 6.595 11.030 -7.254 484 HB2 LYS 60 2HB LYS 60 7.679 11.141 -4.400 485 HB3 LYS 60 3HB LYS 60 8.145 12.178 -5.744 486 HG2 LYS 60 2HG LYS 60 5.441 12.115 -4.390 487 HG3 LYS 60 3HG LYS 60 6.681 13.343 -4.157 488 HD2 LYS 60 2HD LYS 60 5.226 12.779 -6.771 489 HD3 LYS 60 3HD LYS 60 4.870 14.106 -5.662 490 HE2 LYS 60 2HE LYS 60 7.202 14.963 -6.012 491 HE3 LYS 60 3HE LYS 60 7.442 13.702 -7.226 492 HZ1 LYS 60 1HZ LYS 60 5.301 15.757 -7.362 493 HZ2 LYS 60 2HZ LYS 60 5.730 14.652 -8.573 494 HZ3 LYS 60 3HZ LYS 60 6.797 15.891 -8.140 495 H ARG 61 H ARG 61 7.486 8.782 -4.677 496 HA ARG 61 HA ARG 61 9.443 7.401 -6.405 497 HB2 ARG 61 2HB ARG 61 10.592 9.106 -4.844 498 HB3 ARG 61 3HB ARG 61 9.998 8.172 -3.481 499 HG2 ARG 61 2HG ARG 61 12.307 7.598 -3.864 500 HG3 ARG 61 3HG ARG 61 11.323 6.205 -4.330 501 HD2 ARG 61 2HD ARG 61 13.176 6.680 -5.932 502 HD3 ARG 61 3HD ARG 61 11.583 6.766 -6.689 503 HE ARG 61 HE ARG 61 11.742 9.209 -6.551 504 HH11 ARG 61 1HH1 ARG 61 14.787 7.446 -6.330 505 HH12 ARG 61 2HH1 ARG 61 15.732 8.808 -6.849 506 HH21 ARG 61 1HH2 ARG 61 12.988 10.957 -7.193 507 HH22 ARG 61 2HH2 ARG 61 14.715 10.787 -7.336 508 H VAL 62 H VAL 62 9.311 5.182 -6.117 509 HA VAL 62 HA VAL 62 8.223 4.101 -3.615 510 HB VAL 62 HB VAL 62 6.298 4.006 -5.092 511 HG11 VAL 62 1HG1 VAL 62 6.231 2.836 -7.256 512 HG12 VAL 62 2HG1 VAL 62 7.970 2.546 -7.160 513 HG13 VAL 62 3HG1 VAL 62 7.358 4.196 -7.284 514 HG21 VAL 62 1HG2 VAL 62 6.617 2.082 -3.591 515 HG22 VAL 62 2HG2 VAL 62 7.511 1.220 -4.845 516 HG23 VAL 62 3HG2 VAL 62 5.799 1.584 -5.073 517 H GLU 63 H GLU 63 9.923 3.132 -2.819 518 HA GLU 63 HA GLU 63 11.714 1.465 -4.502 519 HB2 GLU 63 2HB GLU 63 12.375 3.088 -1.994 520 HB3 GLU 63 3HB GLU 63 13.498 1.996 -2.798 521 HG2 GLU 63 2HG GLU 63 13.373 3.418 -4.847 522 HG3 GLU 63 3HG GLU 63 12.307 4.520 -3.980 523 H VAL 64 H VAL 64 12.490 -0.436 -3.498 524 HA VAL 64 HA VAL 64 10.869 -1.476 -1.244 525 HB VAL 64 HB VAL 64 9.973 -2.351 -3.346 526 HG11 VAL 64 1HG1 VAL 64 11.897 -2.109 -4.831 527 HG12 VAL 64 2HG1 VAL 64 11.251 -3.749 -4.915 528 HG13 VAL 64 3HG1 VAL 64 12.731 -3.431 -4.006 529 HG21 VAL 64 1HG2 VAL 64 10.113 -4.765 -2.915 530 HG22 VAL 64 2HG2 VAL 64 9.949 -3.852 -1.415 531 HG23 VAL 64 3HG2 VAL 64 11.521 -4.508 -1.878 532 H THR 65 H THR 65 12.091 -2.251 0.380 533 HA THR 65 HA THR 65 14.861 -3.186 -0.125 534 HB THR 65 HB THR 65 14.017 -1.470 2.274 535 HG1 THR 65 HG1 THR 65 15.179 -0.788 -0.204 536 HG21 THR 65 1HG2 THR 65 15.935 -2.982 2.731 537 HG22 THR 65 2HG2 THR 65 16.430 -1.291 2.712 538 HG23 THR 65 3HG2 THR 65 16.781 -2.321 1.323 539 H THR 66 H THR 66 14.942 -5.269 0.499 540 HA THR 66 HA THR 66 12.974 -6.390 2.356 541 HB THR 66 HB THR 66 14.007 -8.588 1.714 542 HG1 THR 66 HG1 THR 66 16.013 -7.013 0.836 543 HG21 THR 66 1HG2 THR 66 12.136 -7.652 0.366 544 HG22 THR 66 2HG2 THR 66 13.236 -8.617 -0.611 545 HG23 THR 66 3HG2 THR 66 13.312 -6.859 -0.695 546 H ASP 67 H ASP 67 13.411 -6.779 4.449 547 HA ASP 67 HA ASP 67 16.197 -6.888 5.439 548 HB2 ASP 67 2HB ASP 67 15.201 -4.591 5.793 549 HB3 ASP 67 3HB ASP 67 13.918 -5.320 6.750 550 H GLY 68 H GLY 68 16.266 -8.985 5.945 551 HA2 GLY 68 2HA GLY 68 15.887 -11.003 6.935 552 HA3 GLY 68 3HA GLY 68 14.868 -10.163 8.095 553 H ASN 69 H ASN 69 12.737 -10.602 8.036 554 HA ASN 69 HA ASN 69 11.529 -11.875 5.626 555 HB2 ASN 69 2HB ASN 69 10.835 -12.378 8.564 556 HB3 ASN 69 3HB ASN 69 10.014 -13.104 7.180 557 HD21 ASN 69 1HD2 ASN 69 11.048 -14.756 6.028 558 HD22 ASN 69 2HD2 ASN 69 12.464 -15.558 6.609 559 H THR 70 H THR 70 11.734 -8.997 6.564 560 HA THR 70 HA THR 70 8.877 -8.349 6.163 561 HB THR 70 HB THR 70 10.726 -6.685 7.937 562 HG1 THR 70 HG1 THR 70 10.052 -8.916 8.701 563 HG21 THR 70 1HG2 THR 70 8.631 -5.644 8.671 564 HG22 THR 70 2HG2 THR 70 7.699 -6.691 7.600 565 HG23 THR 70 3HG2 THR 70 8.800 -5.485 6.923 566 H VAL 71 H VAL 71 8.639 -7.182 4.346 567 HA VAL 71 HA VAL 71 10.996 -5.997 3.045 568 HB VAL 71 HB VAL 71 8.240 -6.583 1.862 569 HG11 VAL 71 1HG1 VAL 71 10.871 -5.870 0.512 570 HG12 VAL 71 2HG1 VAL 71 9.442 -4.838 0.632 571 HG13 VAL 71 3HG1 VAL 71 9.382 -6.323 -0.320 572 HG21 VAL 71 1HG2 VAL 71 10.790 -8.232 1.722 573 HG22 VAL 71 2HG2 VAL 71 9.309 -8.564 0.816 574 HG23 VAL 71 3HG2 VAL 71 9.306 -8.665 2.578 575 H ASN 72 H ASN 72 11.266 -3.995 3.694 576 HA ASN 72 HA ASN 72 9.134 -2.140 4.392 577 HB2 ASN 72 2HB ASN 72 12.164 -1.700 4.286 578 HB3 ASN 72 3HB ASN 72 10.987 -0.660 5.081 579 HD21 ASN 72 1HD2 ASN 72 12.652 -3.751 5.239 580 HD22 ASN 72 2HD2 ASN 72 12.313 -4.066 6.903 581 H VAL 73 H VAL 73 8.085 -1.527 2.540 582 HA VAL 73 HA VAL 73 9.522 -0.495 0.216 583 HB VAL 73 HB VAL 73 6.506 -0.709 0.717 584 HG11 VAL 73 1HG1 VAL 73 8.024 0.003 -1.831 585 HG12 VAL 73 2HG1 VAL 73 6.985 1.078 -0.891 586 HG13 VAL 73 3HG1 VAL 73 6.286 -0.301 -1.736 587 HG21 VAL 73 1HG2 VAL 73 7.581 -2.922 0.605 588 HG22 VAL 73 2HG2 VAL 73 8.357 -2.492 -0.921 589 HG23 VAL 73 3HG2 VAL 73 6.599 -2.645 -0.838 590 H THR 74 H THR 74 10.384 1.431 0.532 591 HA THR 74 HA THR 74 9.131 3.530 2.140 592 HB THR 74 HB THR 74 11.805 3.497 0.658 593 HG1 THR 74 HG1 THR 74 11.110 2.174 2.819 594 HG21 THR 74 1HG2 THR 74 10.754 5.421 2.778 595 HG22 THR 74 2HG2 THR 74 11.049 5.806 1.080 596 HG23 THR 74 3HG2 THR 74 12.398 5.406 2.143 597 H VAL 75 H VAL 75 7.625 4.721 1.112 598 HA VAL 75 HA VAL 75 7.964 5.431 -1.741 599 HB VAL 75 HB VAL 75 6.377 3.609 -1.668 600 HG11 VAL 75 1HG1 VAL 75 4.742 5.127 0.378 601 HG12 VAL 75 2HG1 VAL 75 5.752 3.718 0.704 602 HG13 VAL 75 3HG1 VAL 75 4.342 3.565 -0.343 603 HG21 VAL 75 1HG2 VAL 75 5.815 5.342 -3.271 604 HG22 VAL 75 2HG2 VAL 75 4.895 6.227 -2.056 605 HG23 VAL 75 3HG2 VAL 75 4.328 4.652 -2.614 606 H GLU 76 H GLU 76 8.171 7.546 -1.903 607 HA GLU 76 HA GLU 76 7.126 9.472 0.017 608 HB2 GLU 76 2HB GLU 76 9.359 9.862 -0.955 609 HB3 GLU 76 3HB GLU 76 8.696 9.799 -2.583 610 HG2 GLU 76 2HG GLU 76 9.101 12.099 -2.082 611 HG3 GLU 76 3HG GLU 76 7.359 11.859 -2.052 612 H LEU 77 H LEU 77 5.305 10.695 -0.288 613 HA LEU 77 HA LEU 77 4.042 10.858 -2.957 614 HB2 LEU 77 2HB LEU 77 2.447 10.278 -0.412 615 HB3 LEU 77 3HB LEU 77 1.786 10.588 -2.006 616 HG LEU 77 HG LEU 77 3.237 8.409 -2.660 617 HD11 LEU 77 1HD1 LEU 77 4.238 8.113 -0.445 618 HD12 LEU 77 2HD1 LEU 77 3.250 6.728 -0.899 619 HD13 LEU 77 3HD1 LEU 77 2.635 7.906 0.264 620 HD21 LEU 77 1HD2 LEU 77 0.829 8.637 -2.993 621 HD22 LEU 77 2HD2 LEU 77 0.539 8.262 -1.293 622 HD23 LEU 77 3HD2 LEU 77 1.230 7.038 -2.361 623 H GLU 78 H GLU 78 3.230 12.886 -3.401 624 HA GLU 78 HA GLU 78 3.218 14.910 -1.258 625 HB2 GLU 78 2HB GLU 78 2.979 15.221 -4.284 626 HB3 GLU 78 3HB GLU 78 2.754 16.543 -3.141 627 HG2 GLU 78 2HG GLU 78 5.078 16.075 -2.279 628 HG3 GLU 78 3HG GLU 78 5.277 14.964 -3.635 629 H GLU 79 H GLU 79 1.383 14.830 -0.116 630 HA GLU 79 HA GLU 79 -1.207 14.317 -1.342 631 HB2 GLU 79 2HB GLU 79 -0.561 15.084 1.545 632 HB3 GLU 79 3HB GLU 79 -2.103 14.483 0.935 633 HG2 GLU 79 2HG GLU 79 -0.865 12.336 0.285 634 HG3 GLU 79 3HG GLU 79 0.503 12.968 1.204 635 H THR 80 H THR 80 -1.957 15.969 -2.526 636 HA THR 80 HA THR 80 -1.672 18.758 -1.689 637 HB THR 80 HB THR 80 -3.160 17.667 -4.131 638 HG1 THR 80 HG1 THR 80 -0.533 17.540 -3.605 639 HG21 THR 80 1HG2 THR 80 -2.690 19.905 -5.085 640 HG22 THR 80 2HG2 THR 80 -1.862 20.380 -3.600 641 HG23 THR 80 3HG2 THR 80 -3.598 20.063 -3.579 642 H THR 81 H THR 81 -3.000 19.210 -0.066 643 HA THR 81 HA THR 81 -5.855 18.522 -0.110 644 HB THR 81 HB THR 81 -4.944 16.696 1.183 645 HG1 THR 81 HG1 THR 81 -5.620 18.080 3.437 646 HG21 THR 81 1HG2 THR 81 -3.402 18.712 2.859 647 HG22 THR 81 2HG2 THR 81 -2.702 17.575 1.704 648 HG23 THR 81 3HG2 THR 81 -3.493 16.977 3.164 649 H GLY 82 H GLY 82 -6.995 20.269 0.350 650 HA2 GLY 82 2HA GLY 82 -7.663 22.324 1.120 651 HA3 GLY 82 3HA GLY 82 -6.388 22.233 2.326 652 H GLY 83 H GLY 83 -5.537 21.903 -1.024 653 HA2 GLY 83 2HA GLY 83 -4.642 23.401 -2.567 654 HA3 GLY 83 3HA GLY 83 -4.726 24.694 -1.382 655 H THR 84 H THR 84 -3.334 22.660 0.560 656 HA THR 84 HA THR 84 -0.615 23.485 -0.119 657 HB THR 84 HB THR 84 -0.049 22.488 2.173 658 HG1 THR 84 HG1 THR 84 -2.110 21.184 2.101 659 HG21 THR 84 1HG2 THR 84 -2.206 24.629 2.192 660 HG22 THR 84 2HG2 THR 84 -0.487 24.914 1.904 661 HG23 THR 84 3HG2 THR 84 -1.038 24.320 3.472 662 H THR 85 H THR 85 0.688 22.208 -1.223 663 HA THR 85 HA THR 85 0.262 19.316 -1.452 664 HB THR 85 HB THR 85 2.358 21.079 -2.832 665 HG1 THR 85 HG1 THR 85 0.046 21.587 -3.261 666 HG21 THR 85 1HG2 THR 85 2.889 18.660 -2.902 667 HG22 THR 85 2HG2 THR 85 2.440 19.257 -4.500 668 HG23 THR 85 3HG2 THR 85 1.279 18.325 -3.552 669 H THR 86 H THR 86 1.180 18.114 0.144 670 HA THR 86 HA THR 86 3.668 19.050 1.475 671 HB THR 86 HB THR 86 1.384 17.450 2.739 672 HG1 THR 86 HG1 THR 86 1.600 19.934 3.731 673 HG21 THR 86 1HG2 THR 86 3.577 17.160 3.889 674 HG22 THR 86 2HG2 THR 86 2.439 18.069 4.884 675 HG23 THR 86 3HG2 THR 86 3.731 18.915 4.031 676 H ASN 87 H ASN 87 5.366 17.644 1.393 677 HA ASN 87 HA ASN 87 5.119 15.020 0.184 678 HB2 ASN 87 2HB ASN 87 7.532 16.339 1.534 679 HB3 ASN 87 3HB ASN 87 7.581 14.842 0.607 680 HD21 ASN 87 1HD2 ASN 87 7.501 14.948 -1.649 681 HD22 ASN 87 2HD2 ASN 87 7.657 16.434 -2.518 682 H THR 88 H THR 88 4.015 13.635 1.453 683 HA THR 88 HA THR 88 4.872 13.107 4.233 684 HB THR 88 HB THR 88 2.320 12.118 2.864 685 HG1 THR 88 HG1 THR 88 1.313 13.911 3.530 686 HG21 THR 88 1HG2 THR 88 3.052 12.385 5.814 687 HG22 THR 88 2HG2 THR 88 2.974 10.871 4.910 688 HG23 THR 88 3HG2 THR 88 1.507 11.811 5.181 689 H THR 89 H THR 89 6.295 11.445 4.327 690 HA THR 89 HA THR 89 6.457 9.463 2.177 691 HB THR 89 HB THR 89 8.225 9.592 4.675 692 HG1 THR 89 HG1 THR 89 8.086 11.265 2.507 693 HG21 THR 89 1HG2 THR 89 8.367 7.474 3.369 694 HG22 THR 89 2HG2 THR 89 9.862 8.401 3.267 695 HG23 THR 89 3HG2 THR 89 8.739 8.408 1.909 696 H TYR 90 H TYR 90 5.353 7.624 2.339 697 HA TYR 90 HA TYR 90 4.435 6.617 4.964 698 HB2 TYR 90 2HB TYR 90 3.521 6.070 2.097 699 HB3 TYR 90 3HB TYR 90 2.976 5.112 3.468 700 HD1 TYR 90 HD1 TYR 90 2.918 8.570 2.029 701 HD2 TYR 90 HD2 TYR 90 1.217 5.867 4.864 702 HE1 TYR 90 HE1 TYR 90 1.085 10.153 2.443 703 HE2 TYR 90 HE2 TYR 90 -0.600 7.448 5.282 704 HH TYR 90 HH TYR 90 -1.171 10.180 3.316 705 H GLU 91 H GLU 91 5.381 4.850 5.764 706 HA GLU 91 HA GLU 91 7.257 3.279 4.099 707 HB2 GLU 91 2HB GLU 91 8.050 4.523 6.243 708 HB3 GLU 91 3HB GLU 91 7.088 3.360 7.150 709 HG2 GLU 91 2HG GLU 91 8.492 1.569 5.794 710 HG3 GLU 91 3HG GLU 91 9.598 2.926 5.540 711 H LEU 92 H LEU 92 5.968 1.687 3.250 712 HA LEU 92 HA LEU 92 4.004 0.309 4.944 713 HB2 LEU 92 2HB LEU 92 4.517 0.222 1.940 714 HB3 LEU 92 3HB LEU 92 3.448 -0.908 2.756 715 HG LEU 92 HG LEU 92 2.085 1.079 3.581 716 HD11 LEU 92 1HD1 LEU 92 3.735 2.839 3.354 717 HD12 LEU 92 2HD1 LEU 92 2.291 3.217 2.419 718 HD13 LEU 92 3HD1 LEU 92 3.746 2.638 1.600 719 HD21 LEU 92 1HD2 LEU 92 0.876 1.403 1.481 720 HD22 LEU 92 2HD2 LEU 92 1.337 -0.286 1.689 721 HD23 LEU 92 3HD2 LEU 92 2.243 0.743 0.576 722 H ARG 93 H ARG 93 4.836 -1.133 6.143 723 HA ARG 93 HA ARG 93 7.321 -2.565 5.470 724 HB2 ARG 93 2HB ARG 93 7.289 -1.068 7.455 725 HB3 ARG 93 3HB ARG 93 5.901 -1.925 8.116 726 HG2 ARG 93 2HG ARG 93 7.261 -3.921 8.446 727 HG3 ARG 93 3HG ARG 93 8.652 -3.127 7.703 728 HD2 ARG 93 2HD ARG 93 7.274 -2.159 10.233 729 HD3 ARG 93 3HD ARG 93 8.718 -3.170 10.209 730 HE ARG 93 HE ARG 93 8.602 -0.433 9.073 731 HH11 ARG 93 1HH1 ARG 93 10.386 -2.919 10.828 732 HH12 ARG 93 2HH1 ARG 93 11.788 -1.916 11.036 733 HH21 ARG 93 1HH2 ARG 93 10.451 0.847 9.345 734 HH22 ARG 93 2HH2 ARG 93 11.824 0.209 10.199 735 H PHE 94 H PHE 94 6.750 -4.463 4.494 736 HA PHE 94 HA PHE 94 4.188 -5.763 5.063 737 HB2 PHE 94 2HB PHE 94 6.269 -6.087 2.859 738 HB3 PHE 94 3HB PHE 94 4.898 -7.176 3.014 739 HD1 PHE 94 HD1 PHE 94 5.885 -3.676 2.267 740 HD2 PHE 94 HD2 PHE 94 2.669 -6.493 2.359 741 HE1 PHE 94 HE1 PHE 94 4.475 -2.124 0.985 742 HE2 PHE 94 HE2 PHE 94 1.269 -4.934 1.076 743 HZ PHE 94 HZ PHE 94 2.168 -2.745 0.392 744 H GLU 95 H GLU 95 4.177 -7.205 6.687 745 HA GLU 95 HA GLU 95 6.483 -8.791 7.445 746 HB2 GLU 95 2HB GLU 95 3.597 -8.752 8.435 747 HB3 GLU 95 3HB GLU 95 4.826 -9.826 9.086 748 HG2 GLU 95 2HG GLU 95 4.614 -7.961 10.567 749 HG3 GLU 95 3HG GLU 95 6.169 -7.850 9.756 750 H VAL 96 H VAL 96 7.031 -10.294 5.927 751 HA VAL 96 HA VAL 96 4.931 -11.822 4.523 752 HB VAL 96 HB VAL 96 6.515 -12.323 2.810 753 HG11 VAL 96 1HG1 VAL 96 7.024 -9.455 3.705 754 HG12 VAL 96 2HG1 VAL 96 5.685 -10.025 2.710 755 HG13 VAL 96 3HG1 VAL 96 7.328 -10.091 2.085 756 HG21 VAL 96 1HG2 VAL 96 8.946 -11.807 2.898 757 HG22 VAL 96 2HG2 VAL 96 8.479 -12.968 4.139 758 HG23 VAL 96 3HG2 VAL 96 8.774 -11.287 4.577 759 H ASP 97 H ASP 97 4.783 -14.066 4.648 760 HA ASP 97 HA ASP 97 6.758 -15.598 6.200 761 HB2 ASP 97 2HB ASP 97 5.066 -14.934 7.866 762 HB3 ASP 97 3HB ASP 97 3.773 -15.551 6.852 763 H GLY 98 H GLY 98 7.344 -17.200 4.933 764 HA2 GLY 98 2HA GLY 98 7.314 -19.045 3.602 765 HA3 GLY 98 3HA GLY 98 5.576 -19.129 3.832 766 H ASP 99 H ASP 99 4.351 -18.750 2.116 767 HA ASP 99 HA ASP 99 5.612 -17.833 -0.394 768 HB2 ASP 99 2HB ASP 99 3.088 -19.490 0.057 769 HB3 ASP 99 3HB ASP 99 3.754 -19.054 -1.515 770 H THR 100 H THR 100 3.705 -16.523 1.979 771 HA THR 100 HA THR 100 2.305 -14.719 0.109 772 HB THR 100 HB THR 100 0.641 -16.426 0.691 773 HG1 THR 100 HG1 THR 100 -0.321 -14.472 0.488 774 HG21 THR 100 1HG2 THR 100 -0.142 -16.777 3.004 775 HG22 THR 100 2HG2 THR 100 1.106 -15.686 3.610 776 HG23 THR 100 3HG2 THR 100 1.559 -17.212 2.846 777 H ILE 101 H ILE 101 1.894 -12.670 0.879 778 HA ILE 101 HA ILE 101 3.463 -11.792 3.186 779 HB ILE 101 HB ILE 101 1.846 -10.102 1.230 780 HG12 ILE 101 2HG1 ILE 101 4.813 -10.837 1.124 781 HG13 ILE 101 3HG1 ILE 101 3.577 -11.376 -0.002 782 HG21 ILE 101 1HG2 ILE 101 4.056 -9.330 3.179 783 HG22 ILE 101 2HG2 ILE 101 2.338 -8.972 3.365 784 HG23 ILE 101 3HG2 ILE 101 3.255 -8.239 2.050 785 HD11 ILE 101 1HD1 ILE 101 4.507 -8.532 0.361 786 HD12 ILE 101 2HD1 ILE 101 3.276 -9.085 -0.779 787 HD13 ILE 101 3HD1 ILE 101 4.944 -9.627 -0.950 788 H ARG 102 H ARG 102 2.549 -11.424 5.104 789 HA ARG 102 HA ARG 102 -0.231 -12.228 5.455 790 HB2 ARG 102 2HB ARG 102 2.048 -11.830 7.438 791 HB3 ARG 102 3HB ARG 102 0.453 -12.446 7.859 792 HG2 ARG 102 2HG ARG 102 2.398 -13.776 5.949 793 HG3 ARG 102 3HG ARG 102 2.116 -14.249 7.625 794 HD2 ARG 102 2HD ARG 102 0.010 -14.285 5.434 795 HD3 ARG 102 3HD ARG 102 0.909 -15.693 6.010 796 HE ARG 102 HE ARG 102 -0.199 -14.640 8.273 797 HH11 ARG 102 1HH1 ARG 102 -1.563 -15.775 5.239 798 HH12 ARG 102 2HH1 ARG 102 -3.053 -16.273 5.970 799 HH21 ARG 102 1HH2 ARG 102 -2.126 -15.374 9.220 800 HH22 ARG 102 2HH2 ARG 102 -3.375 -16.046 8.214 801 H ARG 103 H ARG 103 1.838 -9.412 6.198 802 HA ARG 103 HA ARG 103 -0.563 -7.815 6.825 803 HB2 ARG 103 2HB ARG 103 0.521 -8.856 8.961 804 HB3 ARG 103 3HB ARG 103 1.855 -7.752 8.692 805 HG2 ARG 103 2HG ARG 103 0.238 -5.840 8.853 806 HG3 ARG 103 3HG ARG 103 -1.037 -6.990 9.255 807 HD2 ARG 103 2HD ARG 103 -0.260 -6.039 11.313 808 HD3 ARG 103 3HD ARG 103 0.361 -7.693 11.257 809 HE ARG 103 HE ARG 103 2.269 -5.944 10.166 810 HH11 ARG 103 1HH1 ARG 103 0.886 -6.680 13.328 811 HH12 ARG 103 2HH1 ARG 103 2.314 -6.191 14.187 812 HH21 ARG 103 1HH2 ARG 103 4.110 -5.308 11.307 813 HH22 ARG 103 2HH2 ARG 103 4.135 -5.419 13.039 814 H VAL 104 H VAL 104 -0.150 -5.512 6.841 815 HA VAL 104 HA VAL 104 2.493 -4.560 5.957 816 HB VAL 104 HB VAL 104 1.200 -4.493 3.913 817 HG11 VAL 104 1HG1 VAL 104 -1.066 -4.670 4.831 818 HG12 VAL 104 2HG1 VAL 104 -0.965 -3.358 3.656 819 HG13 VAL 104 3HG1 VAL 104 -0.993 -2.995 5.385 820 HG21 VAL 104 1HG2 VAL 104 1.303 -1.680 5.078 821 HG22 VAL 104 2HG2 VAL 104 1.244 -2.084 3.359 822 HG23 VAL 104 3HG2 VAL 104 2.648 -2.539 4.325 823 H THR 105 H THR 105 3.192 -3.345 7.613 824 HA THR 105 HA THR 105 1.401 -1.736 9.276 825 HB THR 105 HB THR 105 4.448 -1.972 9.455 826 HG1 THR 105 HG1 THR 105 3.659 -4.049 9.634 827 HG21 THR 105 1HG2 THR 105 4.096 -1.416 11.835 828 HG22 THR 105 2HG2 THR 105 2.356 -1.293 11.569 829 HG23 THR 105 3HG2 THR 105 3.451 -0.139 10.802 830 H VAL 106 H VAL 106 0.805 0.133 8.211 831 HA VAL 106 HA VAL 106 2.745 1.541 6.506 832 HB VAL 106 HB VAL 106 0.619 1.161 5.433 833 HG11 VAL 106 1HG1 VAL 106 -1.536 2.066 6.203 834 HG12 VAL 106 2HG1 VAL 106 -0.768 2.647 7.683 835 HG13 VAL 106 3HG1 VAL 106 -0.863 0.915 7.365 836 HG21 VAL 106 1HG2 VAL 106 1.768 3.267 4.887 837 HG22 VAL 106 2HG2 VAL 106 0.862 4.108 6.144 838 HG23 VAL 106 3HG2 VAL 106 0.019 3.453 4.740 839 H THR 107 H THR 107 4.056 2.793 7.650 840 HA THR 107 HA THR 107 3.156 4.357 9.963 841 HB THR 107 HB THR 107 5.995 4.018 8.867 842 HG1 THR 107 HG1 THR 107 6.180 2.310 10.296 843 HG21 THR 107 1HG2 THR 107 6.669 4.654 11.176 844 HG22 THR 107 2HG2 THR 107 4.979 4.896 11.611 845 HG23 THR 107 3HG2 THR 107 5.733 5.943 10.408 846 H GLN 108 H GLN 108 2.322 6.299 9.464 847 HA GLN 108 HA GLN 108 2.944 7.728 7.013 848 HB2 GLN 108 2HB GLN 108 0.615 7.605 7.910 849 HB3 GLN 108 3HB GLN 108 1.125 8.483 9.348 850 HG2 GLN 108 2HG GLN 108 1.684 10.446 7.923 851 HG3 GLN 108 3HG GLN 108 1.104 9.571 6.505 852 HE21 GLN 108 1HE2 GLN 108 0.126 12.087 7.625 853 HE22 GLN 108 2HE2 GLN 108 -1.542 11.843 8.002 854 H ASN 109 H ASN 109 5.060 8.427 7.186 855 HA ASN 109 HA ASN 109 5.941 10.084 9.451 856 HB2 ASN 109 2HB ASN 109 7.492 9.124 6.988 857 HB3 ASN 109 3HB ASN 109 8.182 10.007 8.348 858 HD21 ASN 109 1HD2 ASN 109 6.977 6.940 7.247 859 HD22 ASN 109 2HD2 ASN 109 7.536 6.015 8.594 860 H GLY 110 H GLY 110 4.843 11.987 9.230 861 HA2 GLY 110 2HA GLY 110 5.004 13.526 6.704 862 HA3 GLY 110 3HA GLY 110 3.952 13.865 8.069 863 H GLY 111 H GLY 111 7.134 13.110 8.969 864 HA2 GLY 111 2HA GLY 111 8.668 15.371 8.647 865 HA3 GLY 111 3HA GLY 111 7.657 15.712 10.052 866 H SER 112 H SER 112 9.378 15.701 11.531 867 HA SER 112 HA SER 112 10.205 13.058 12.446 868 HB2 SER 112 2HB SER 112 12.265 15.185 11.685 869 HB3 SER 112 3HB SER 112 12.635 13.717 12.593 870 HG SER 112 HG SER 112 11.430 12.798 10.541 871 H LEU 113 H LEU 113 10.565 12.998 14.637 872 HA LEU 113 HA LEU 113 9.977 15.438 16.217 873 HB2 LEU 113 2HB LEU 113 9.837 12.500 17.048 874 HB3 LEU 113 3HB LEU 113 9.460 13.866 18.078 875 HG LEU 113 HG LEU 113 7.564 14.416 16.381 876 HD11 LEU 113 1HD1 LEU 113 6.674 12.538 15.081 877 HD12 LEU 113 2HD1 LEU 113 8.061 11.546 15.535 878 HD13 LEU 113 3HD1 LEU 113 8.292 12.986 14.539 879 HD21 LEU 113 1HD2 LEU 113 7.119 13.577 18.636 880 HD22 LEU 113 2HD2 LEU 113 7.352 11.914 18.095 881 HD23 LEU 113 3HD2 LEU 113 5.996 12.861 17.479 882 H GLU 114 H GLU 114 12.589 13.591 15.237 883 HA GLU 114 HA GLU 114 14.032 13.205 17.655 884 HB2 GLU 114 2HB GLU 114 15.910 12.544 16.234 885 HB3 GLU 114 3HB GLU 114 14.422 11.803 15.681 886 HG2 GLU 114 2HG GLU 114 14.943 12.492 13.599 887 HG3 GLU 114 3HG GLU 114 14.615 14.140 14.119 888 H HIS 115 H HIS 115 15.405 14.480 18.715 889 HA HIS 115 HA HIS 115 16.215 17.117 17.636 890 HB2 HIS 115 2HB HIS 115 16.274 16.051 20.498 891 HB3 HIS 115 3HB HIS 115 16.784 17.666 20.015 892 HD1 HIS 115 HD1 HIS 115 15.007 19.431 19.982 893 HD2 HIS 115 HD2 HIS 115 13.401 15.604 20.185 894 HE1 HIS 115 HE1 HIS 115 12.543 19.743 20.344 895 HE2 HIS 115 HE2 HIS 115 11.578 17.432 20.287 896 H HIS 116 H HIS 116 17.334 14.338 17.076 897 HA HIS 116 HA HIS 116 19.829 13.938 18.314 898 HB2 HIS 116 2HB HIS 116 19.042 12.007 17.279 899 HB3 HIS 116 3HB HIS 116 18.385 12.864 15.897 900 HD1 HIS 116 HD1 HIS 116 19.634 12.624 13.782 901 HD2 HIS 116 HD2 HIS 116 22.026 11.733 17.073 902 HE1 HIS 116 HE1 HIS 116 21.821 11.827 12.838 903 HE2 HIS 116 HE2 HIS 116 23.203 11.191 14.835 904 H HIS 117 H HIS 117 19.044 15.338 15.107 905 HA HIS 117 HA HIS 117 21.731 16.003 14.444 906 HB2 HIS 117 2HB HIS 117 19.988 15.642 12.730 907 HB3 HIS 117 3HB HIS 117 19.106 17.057 13.298 908 HD1 HIS 117 HD1 HIS 117 22.240 16.081 11.435 909 HD2 HIS 117 HD2 HIS 117 20.043 19.507 12.292 910 HE1 HIS 117 HE1 HIS 117 23.230 17.895 10.014 911 HE2 HIS 117 HE2 HIS 117 22.054 19.985 10.742 912 H HIS 118 H HIS 118 19.064 17.802 15.880 913 HA HIS 118 HA HIS 118 20.450 20.339 15.969 914 HB2 HIS 118 2HB HIS 118 17.970 20.150 15.660 915 HB3 HIS 118 3HB HIS 118 17.824 19.472 17.277 916 HD1 HIS 118 HD1 HIS 118 16.849 21.206 18.754 917 HD2 HIS 118 HD2 HIS 118 19.516 22.882 16.037 918 HE1 HIS 118 HE1 HIS 118 16.895 23.656 19.272 919 HE2 HIS 118 HE2 HIS 118 18.572 24.634 17.685 920 H HIS 119 H HIS 119 20.806 17.560 17.768 921 HA HIS 119 HA HIS 119 21.881 16.979 19.660 922 HB2 HIS 119 2HB HIS 119 23.562 18.686 19.267 923 HB3 HIS 119 3HB HIS 119 22.493 19.954 19.848 924 HD1 HIS 119 HD1 HIS 119 24.941 17.385 21.009 925 HD2 HIS 119 HD2 HIS 119 22.370 20.191 22.680 926 HE1 HIS 119 HE1 HIS 119 25.685 17.648 23.394 927 HE2 HIS 119 HE2 HIS 119 24.087 19.321 24.386 928 H HIS 120 H HIS 120 20.343 20.072 20.598 929 HA HIS 120 HA HIS 120 18.335 18.620 22.178 930 HB2 HIS 120 2HB HIS 120 20.114 19.292 23.778 931 HB3 HIS 120 3HB HIS 120 20.013 20.955 23.217 932 HD1 HIS 120 HD1 HIS 120 19.023 22.246 25.077 933 HD2 HIS 120 HD2 HIS 120 17.083 18.608 24.574 934 HE1 HIS 120 HE1 HIS 120 17.188 22.225 26.783 935 HE2 HIS 120 HE2 HIS 120 15.929 20.095 26.343 Start of MODEL 4 1 H1 MET 1 1H MET 1 6.383 -19.668 -4.658 2 H2 MET 1 2H MET 1 7.221 -19.309 -3.238 3 H3 MET 1 3H MET 1 8.051 -19.401 -4.710 4 HA MET 1 HA MET 1 6.888 -17.509 -5.548 5 HB2 MET 1 2HB MET 1 4.787 -17.935 -4.247 6 HB3 MET 1 3HB MET 1 5.601 -17.424 -2.780 7 HG2 MET 1 2HG MET 1 5.162 -15.615 -5.160 8 HG3 MET 1 3HG MET 1 4.048 -15.738 -3.799 9 HE1 MET 1 1HE MET 1 4.043 -13.340 -2.928 10 HE2 MET 1 2HE MET 1 4.873 -12.916 -4.427 11 HE3 MET 1 3HE MET 1 5.472 -12.309 -2.885 12 H GLN 2 H GLN 2 8.888 -16.708 -5.716 13 HA GLN 2 HA GLN 2 10.423 -15.851 -3.323 14 HB2 GLN 2 2HB GLN 2 11.352 -16.776 -6.082 15 HB3 GLN 2 3HB GLN 2 12.436 -16.108 -4.865 16 HG2 GLN 2 2HG GLN 2 12.015 -17.983 -3.375 17 HG3 GLN 2 3HG GLN 2 10.778 -18.622 -4.462 18 HE21 GLN 2 1HE2 GLN 2 13.317 -19.845 -3.498 19 HE22 GLN 2 2HE2 GLN 2 14.179 -20.285 -4.929 20 H ASP 3 H ASP 3 8.360 -14.408 -5.187 21 HA ASP 3 HA ASP 3 10.049 -12.089 -5.962 22 HB2 ASP 3 2HB ASP 3 8.301 -11.462 -7.522 23 HB3 ASP 3 3HB ASP 3 8.638 -13.173 -7.763 24 H ILE 4 H ILE 4 9.289 -12.656 -3.229 25 HA ILE 4 HA ILE 4 7.150 -11.328 -2.105 26 HB ILE 4 HB ILE 4 9.997 -11.612 -1.033 27 HG12 ILE 4 2HG1 ILE 4 8.733 -13.757 -1.476 28 HG13 ILE 4 3HG1 ILE 4 9.191 -13.550 0.206 29 HG21 ILE 4 1HG2 ILE 4 7.523 -10.717 0.490 30 HG22 ILE 4 2HG2 ILE 4 8.981 -9.772 0.183 31 HG23 ILE 4 3HG2 ILE 4 9.052 -11.180 1.240 32 HD11 ILE 4 1HD1 ILE 4 6.968 -14.497 -0.032 33 HD12 ILE 4 2HD1 ILE 4 6.434 -13.078 -0.932 34 HD13 ILE 4 3HD1 ILE 4 6.898 -12.928 0.766 35 H VAL 5 H VAL 5 10.304 -9.944 -2.972 36 HA VAL 5 HA VAL 5 9.994 -7.309 -2.059 37 HB VAL 5 HB VAL 5 11.654 -8.418 -4.370 38 HG11 VAL 5 1HG1 VAL 5 11.457 -5.987 -4.628 39 HG12 VAL 5 2HG1 VAL 5 13.096 -6.427 -4.146 40 HG13 VAL 5 3HG1 VAL 5 11.980 -5.748 -2.958 41 HG21 VAL 5 1HG2 VAL 5 12.425 -7.886 -1.481 42 HG22 VAL 5 2HG2 VAL 5 13.510 -8.466 -2.746 43 HG23 VAL 5 3HG2 VAL 5 12.165 -9.472 -2.210 44 H GLU 6 H GLU 6 9.345 -8.760 -5.252 45 HA GLU 6 HA GLU 6 8.472 -6.422 -6.576 46 HB2 GLU 6 2HB GLU 6 9.225 -8.443 -7.772 47 HB3 GLU 6 3HB GLU 6 7.850 -9.345 -7.150 48 HG2 GLU 6 2HG GLU 6 7.479 -8.727 -9.476 49 HG3 GLU 6 3HG GLU 6 6.313 -7.908 -8.437 50 H ALA 7 H ALA 7 6.710 -9.003 -4.910 51 HA ALA 7 HA ALA 7 4.075 -8.129 -5.445 52 HB1 ALA 7 1HB ALA 7 5.108 -9.935 -3.236 53 HB2 ALA 7 2HB ALA 7 4.609 -10.447 -4.849 54 HB3 ALA 7 3HB ALA 7 3.419 -9.771 -3.737 55 H ALA 8 H ALA 8 6.396 -7.395 -2.912 56 HA ALA 8 HA ALA 8 4.665 -6.091 -1.076 57 HB1 ALA 8 1HB ALA 8 7.636 -5.677 -1.567 58 HB2 ALA 8 2HB ALA 8 6.916 -6.840 -0.453 59 HB3 ALA 8 3HB ALA 8 6.733 -5.113 -0.153 60 H LYS 9 H LYS 9 6.638 -4.985 -3.799 61 HA LYS 9 HA LYS 9 6.066 -2.216 -3.616 62 HB2 LYS 9 2HB LYS 9 8.016 -3.176 -4.840 63 HB3 LYS 9 3HB LYS 9 6.922 -3.869 -6.034 64 HG2 LYS 9 2HG LYS 9 6.205 -1.584 -6.689 65 HG3 LYS 9 3HG LYS 9 7.326 -0.902 -5.503 66 HD2 LYS 9 2HD LYS 9 9.233 -1.916 -6.727 67 HD3 LYS 9 3HD LYS 9 8.112 -2.609 -7.904 68 HE2 LYS 9 2HE LYS 9 7.410 -0.313 -8.549 69 HE3 LYS 9 3HE LYS 9 8.580 0.352 -7.405 70 HZ1 LYS 9 1HZ LYS 9 9.217 -1.322 -9.778 71 HZ2 LYS 9 2HZ LYS 9 10.348 -0.735 -8.667 72 HZ3 LYS 9 3HZ LYS 9 9.475 0.343 -9.631 73 H GLN 10 H GLN 10 4.649 -4.863 -5.542 74 HA GLN 10 HA GLN 10 2.727 -3.476 -7.019 75 HB2 GLN 10 2HB GLN 10 2.671 -6.337 -5.951 76 HB3 GLN 10 3HB GLN 10 1.501 -5.712 -7.107 77 HG2 GLN 10 2HG GLN 10 4.486 -5.967 -7.580 78 HG3 GLN 10 3HG GLN 10 3.245 -7.053 -8.200 79 HE21 GLN 10 1HE2 GLN 10 4.606 -3.853 -8.423 80 HE22 GLN 10 2HE2 GLN 10 3.891 -3.441 -9.937 81 H ALA 11 H ALA 11 2.562 -4.978 -3.829 82 HA ALA 11 HA ALA 11 -0.154 -4.520 -3.252 83 HB1 ALA 11 1HB ALA 11 0.462 -5.065 -0.934 84 HB2 ALA 11 2HB ALA 11 2.175 -4.904 -1.337 85 HB3 ALA 11 3HB ALA 11 1.212 -6.189 -2.068 86 H ALA 12 H ALA 12 2.799 -2.671 -2.524 87 HA ALA 12 HA ALA 12 1.706 -0.752 -0.802 88 HB1 ALA 12 1HB ALA 12 4.120 -1.152 -1.021 89 HB2 ALA 12 2HB ALA 12 3.734 0.557 -1.246 90 HB3 ALA 12 3HB ALA 12 4.102 -0.463 -2.643 91 H ILE 13 H ILE 13 2.338 -0.540 -4.326 92 HA ILE 13 HA ILE 13 1.357 2.075 -4.754 93 HB ILE 13 HB ILE 13 1.308 -0.189 -6.820 94 HG12 ILE 13 2HG1 ILE 13 3.649 1.706 -6.296 95 HG13 ILE 13 3HG1 ILE 13 3.573 0.060 -5.691 96 HG21 ILE 13 1HG2 ILE 13 1.495 1.576 -8.500 97 HG22 ILE 13 2HG2 ILE 13 1.631 2.807 -7.244 98 HG23 ILE 13 3HG2 ILE 13 0.121 1.928 -7.447 99 HD11 ILE 13 1HD1 ILE 13 3.597 0.846 -8.606 100 HD12 ILE 13 2HD1 ILE 13 3.546 -0.800 -7.970 101 HD13 ILE 13 3HD1 ILE 13 4.956 0.213 -7.674 102 H ALA 14 H ALA 14 -0.185 -1.125 -4.944 103 HA ALA 14 HA ALA 14 -2.699 -0.398 -5.995 104 HB1 ALA 14 1HB ALA 14 -3.426 -2.627 -5.263 105 HB2 ALA 14 2HB ALA 14 -1.973 -2.780 -4.267 106 HB3 ALA 14 3HB ALA 14 -1.836 -2.695 -6.024 107 H ILE 15 H ILE 15 -1.525 -0.641 -2.662 108 HA ILE 15 HA ILE 15 -3.959 -0.297 -1.282 109 HB ILE 15 HB ILE 15 -1.054 0.187 -0.521 110 HG12 ILE 15 2HG1 ILE 15 -3.124 -1.809 0.506 111 HG13 ILE 15 3HG1 ILE 15 -1.898 -2.159 -0.705 112 HG21 ILE 15 1HG2 ILE 15 -2.264 1.895 0.759 113 HG22 ILE 15 2HG2 ILE 15 -1.698 0.615 1.832 114 HG23 ILE 15 3HG2 ILE 15 -3.394 0.676 1.353 115 HD11 ILE 15 1HD1 ILE 15 -1.398 -1.477 2.192 116 HD12 ILE 15 2HD1 ILE 15 -0.152 -1.782 0.978 117 HD13 ILE 15 3HD1 ILE 15 -1.271 -3.065 1.433 118 H PHE 16 H PHE 16 -1.582 2.100 -2.490 119 HA PHE 16 HA PHE 16 -3.049 4.372 -1.513 120 HB2 PHE 16 2HB PHE 16 -0.777 4.189 -3.532 121 HB3 PHE 16 3HB PHE 16 -1.474 5.713 -2.979 122 HD1 PHE 16 HD1 PHE 16 -1.542 6.096 -0.379 123 HD2 PHE 16 HD2 PHE 16 1.009 3.269 -2.324 124 HE1 PHE 16 HE1 PHE 16 -0.057 6.069 1.589 125 HE2 PHE 16 HE2 PHE 16 2.465 3.244 -0.365 126 HZ PHE 16 HZ PHE 16 1.954 4.640 1.584 127 H GLN 17 H GLN 17 -3.018 2.603 -4.576 128 HA GLN 17 HA GLN 17 -4.535 4.356 -6.176 129 HB2 GLN 17 2HB GLN 17 -4.435 1.315 -6.172 130 HB3 GLN 17 3HB GLN 17 -5.309 2.245 -7.386 131 HG2 GLN 17 2HG GLN 17 -3.170 3.310 -8.071 132 HG3 GLN 17 3HG GLN 17 -2.320 2.306 -6.891 133 HE21 GLN 17 1HE2 GLN 17 -1.111 1.274 -8.526 134 HE22 GLN 17 2HE2 GLN 17 -1.806 0.121 -9.591 135 H LEU 18 H LEU 18 -5.507 1.794 -3.920 136 HA LEU 18 HA LEU 18 -8.308 2.172 -4.145 137 HB2 LEU 18 2HB LEU 18 -6.638 0.950 -1.916 138 HB3 LEU 18 3HB LEU 18 -8.396 0.942 -1.923 139 HG LEU 18 HG LEU 18 -6.592 -0.456 -3.937 140 HD11 LEU 18 1HD1 LEU 18 -8.403 -1.617 -1.803 141 HD12 LEU 18 2HD1 LEU 18 -6.638 -1.563 -1.762 142 HD13 LEU 18 3HD1 LEU 18 -7.457 -2.527 -2.985 143 HD21 LEU 18 1HD2 LEU 18 -8.616 0.344 -5.058 144 HD22 LEU 18 2HD2 LEU 18 -9.629 -0.417 -3.826 145 HD23 LEU 18 3HD2 LEU 18 -8.640 -1.411 -4.902 146 H TRP 19 H TRP 19 -5.868 3.443 -1.865 147 HA TRP 19 HA TRP 19 -7.563 4.648 -0.018 148 HB2 TRP 19 2HB TRP 19 -4.677 5.070 -0.751 149 HB3 TRP 19 3HB TRP 19 -5.436 6.211 0.348 150 HD1 TRP 19 HD1 TRP 19 -6.614 2.632 0.827 151 HE1 TRP 19 HE1 TRP 19 -5.546 1.681 2.962 152 HE3 TRP 19 HE3 TRP 19 -3.219 6.346 1.771 153 HZ2 TRP 19 HZ2 TRP 19 -3.544 2.408 4.812 154 HZ3 TRP 19 HZ3 TRP 19 -1.771 6.147 3.754 155 HH2 TRP 19 HH2 TRP 19 -1.935 4.216 5.243 156 H LYS 20 H LYS 20 -6.554 5.908 -3.139 157 HA LYS 20 HA LYS 20 -8.076 8.398 -2.676 158 HB2 LYS 20 2HB LYS 20 -7.013 9.201 -4.789 159 HB3 LYS 20 3HB LYS 20 -5.847 8.768 -3.542 160 HG2 LYS 20 2HG LYS 20 -5.576 6.531 -4.709 161 HG3 LYS 20 3HG LYS 20 -6.545 7.181 -6.031 162 HD2 LYS 20 2HD LYS 20 -3.901 8.334 -5.043 163 HD3 LYS 20 3HD LYS 20 -4.106 7.340 -6.485 164 HE2 LYS 20 2HE LYS 20 -5.547 9.074 -7.482 165 HE3 LYS 20 3HE LYS 20 -5.366 10.066 -6.033 166 HZ1 LYS 20 1HZ LYS 20 -3.240 9.314 -7.962 167 HZ2 LYS 20 2HZ LYS 20 -2.939 10.075 -6.490 168 HZ3 LYS 20 3HZ LYS 20 -3.857 10.862 -7.665 169 H ASN 21 H ASN 21 -8.317 5.341 -4.353 170 HA ASN 21 HA ASN 21 -10.975 6.010 -5.374 171 HB2 ASN 21 2HB ASN 21 -9.427 6.649 -7.243 172 HB3 ASN 21 3HB ASN 21 -8.783 5.012 -7.267 173 HD21 ASN 21 1HD2 ASN 21 -10.166 3.306 -8.014 174 HD22 ASN 21 2HD2 ASN 21 -11.542 3.636 -9.006 175 HA PRO 22 HA PRO 22 -10.536 1.757 -3.486 176 HB2 PRO 22 2HB PRO 22 -12.935 1.759 -2.117 177 HB3 PRO 22 3HB PRO 22 -11.452 2.502 -1.502 178 HG2 PRO 22 2HG PRO 22 -13.805 3.807 -2.802 179 HG3 PRO 22 3HG PRO 22 -12.829 4.355 -1.420 180 HD2 PRO 22 2HD PRO 22 -12.514 5.340 -3.967 181 HD3 PRO 22 3HD PRO 22 -11.202 5.290 -2.770 182 H THR 23 H THR 23 -12.704 2.997 -5.787 183 HA THR 23 HA THR 23 -14.383 0.665 -6.104 184 HB THR 23 HB THR 23 -15.134 1.875 -8.208 185 HG1 THR 23 HG1 THR 23 -14.339 4.065 -8.402 186 HG21 THR 23 1HG2 THR 23 -16.260 3.750 -7.030 187 HG22 THR 23 2HG2 THR 23 -15.189 3.523 -5.645 188 HG23 THR 23 3HG2 THR 23 -16.341 2.260 -6.085 189 H ASP 24 H ASP 24 -11.172 1.324 -6.980 190 HA ASP 24 HA ASP 24 -11.071 0.176 -9.588 191 HB2 ASP 24 2HB ASP 24 -9.334 1.755 -8.609 192 HB3 ASP 24 3HB ASP 24 -8.758 0.421 -7.611 193 HA PRO 25 HA PRO 25 -11.528 -4.076 -8.044 194 HB2 PRO 25 2HB PRO 25 -11.573 -5.368 -10.466 195 HB3 PRO 25 3HB PRO 25 -12.947 -4.418 -9.862 196 HG2 PRO 25 2HG PRO 25 -10.832 -3.612 -11.835 197 HG3 PRO 25 3HG PRO 25 -12.593 -3.363 -11.908 198 HD2 PRO 25 2HD PRO 25 -10.885 -1.394 -11.107 199 HD3 PRO 25 3HD PRO 25 -12.536 -1.537 -10.465 200 H GLU 26 H GLU 26 -9.000 -3.263 -10.450 201 HA GLU 26 HA GLU 26 -7.645 -5.769 -10.294 202 HB2 GLU 26 2HB GLU 26 -6.648 -3.113 -11.407 203 HB3 GLU 26 3HB GLU 26 -5.885 -4.681 -11.659 204 HG2 GLU 26 2HG GLU 26 -7.929 -5.467 -12.839 205 HG3 GLU 26 3HG GLU 26 -8.636 -3.863 -12.629 206 H ALA 27 H ALA 27 -7.230 -2.702 -8.621 207 HA ALA 27 HA ALA 27 -4.626 -3.086 -7.577 208 HB1 ALA 27 1HB ALA 27 -5.202 -1.246 -6.033 209 HB2 ALA 27 2HB ALA 27 -6.904 -1.397 -6.480 210 HB3 ALA 27 3HB ALA 27 -5.720 -0.879 -7.681 211 H GLN 28 H GLN 28 -7.852 -3.654 -6.170 212 HA GLN 28 HA GLN 28 -6.823 -4.909 -3.777 213 HB2 GLN 28 2HB GLN 28 -9.235 -5.296 -3.245 214 HB3 GLN 28 3HB GLN 28 -8.847 -3.619 -3.606 215 HG2 GLN 28 2HG GLN 28 -9.708 -4.018 -5.953 216 HG3 GLN 28 3HG GLN 28 -10.283 -5.591 -5.393 217 HE21 GLN 28 1HE2 GLN 28 -10.676 -2.122 -5.094 218 HE22 GLN 28 2HE2 GLN 28 -12.236 -2.179 -4.361 219 H GLU 29 H GLU 29 -7.721 -5.993 -6.934 220 HA GLU 29 HA GLU 29 -8.279 -8.731 -6.431 221 HB2 GLU 29 2HB GLU 29 -8.840 -7.602 -8.567 222 HB3 GLU 29 3HB GLU 29 -7.128 -7.411 -8.929 223 HG2 GLU 29 2HG GLU 29 -6.921 -9.916 -8.987 224 HG3 GLU 29 3HG GLU 29 -8.666 -10.019 -8.745 225 H LEU 30 H LEU 30 -5.250 -7.021 -7.309 226 HA LEU 30 HA LEU 30 -3.643 -9.385 -7.239 227 HB2 LEU 30 2HB LEU 30 -1.707 -7.949 -7.536 228 HB3 LEU 30 3HB LEU 30 -2.993 -7.491 -8.623 229 HG LEU 30 HG LEU 30 -3.445 -5.624 -6.717 230 HD11 LEU 30 1HD1 LEU 30 -0.460 -6.101 -6.450 231 HD12 LEU 30 2HD1 LEU 30 -1.677 -6.370 -5.196 232 HD13 LEU 30 3HD1 LEU 30 -1.366 -4.739 -5.781 233 HD21 LEU 30 1HD2 LEU 30 -2.163 -4.018 -8.022 234 HD22 LEU 30 2HD2 LEU 30 -3.009 -5.138 -9.086 235 HD23 LEU 30 3HD2 LEU 30 -1.271 -5.323 -8.815 236 H LEU 31 H LEU 31 -4.542 -6.959 -4.850 237 HA LEU 31 HA LEU 31 -2.820 -7.705 -2.736 238 HB2 LEU 31 2HB LEU 31 -5.585 -6.446 -2.725 239 HB3 LEU 31 3HB LEU 31 -4.692 -6.736 -1.239 240 HG LEU 31 HG LEU 31 -3.763 -4.918 -3.506 241 HD11 LEU 31 1HD1 LEU 31 -5.699 -3.979 -2.310 242 HD12 LEU 31 2HD1 LEU 31 -4.232 -3.058 -1.988 243 HD13 LEU 31 3HD1 LEU 31 -4.857 -4.175 -0.770 244 HD21 LEU 31 1HD2 LEU 31 -1.870 -5.910 -2.329 245 HD22 LEU 31 2HD2 LEU 31 -2.544 -5.423 -0.771 246 HD23 LEU 31 3HD2 LEU 31 -2.012 -4.200 -1.928 247 H ASN 32 H ASN 32 -5.804 -9.169 -3.902 248 HA ASN 32 HA ASN 32 -6.290 -10.915 -1.678 249 HB2 ASN 32 2HB ASN 32 -7.938 -10.262 -3.529 250 HB3 ASN 32 3HB ASN 32 -7.093 -11.367 -4.594 251 HD21 ASN 32 1HD2 ASN 32 -9.884 -11.328 -3.653 252 HD22 ASN 32 2HD2 ASN 32 -10.168 -12.869 -2.919 253 H LYS 33 H LYS 33 -4.227 -11.039 -4.489 254 HA LYS 33 HA LYS 33 -3.815 -13.912 -4.449 255 HB2 LYS 33 2HB LYS 33 -2.525 -11.768 -6.197 256 HB3 LYS 33 3HB LYS 33 -2.452 -13.509 -6.468 257 HG2 LYS 33 2HG LYS 33 -4.930 -13.542 -6.787 258 HG3 LYS 33 3HG LYS 33 -4.961 -11.792 -6.570 259 HD2 LYS 33 2HD LYS 33 -5.056 -12.312 -8.945 260 HD3 LYS 33 3HD LYS 33 -3.514 -11.536 -8.575 261 HE2 LYS 33 2HE LYS 33 -3.230 -13.424 -10.129 262 HE3 LYS 33 3HE LYS 33 -2.387 -13.725 -8.610 263 HZ1 LYS 33 1HZ LYS 33 -3.562 -15.692 -9.361 264 HZ2 LYS 33 2HZ LYS 33 -5.024 -14.852 -9.397 265 HZ3 LYS 33 3HZ LYS 33 -4.257 -15.131 -7.924 266 H ILE 34 H ILE 34 -2.078 -11.017 -3.404 267 HA ILE 34 HA ILE 34 0.416 -12.585 -2.928 268 HB ILE 34 HB ILE 34 1.665 -10.475 -3.084 269 HG12 ILE 34 2HG1 ILE 34 -1.074 -9.164 -3.432 270 HG13 ILE 34 3HG1 ILE 34 0.113 -8.840 -2.181 271 HG21 ILE 34 1HG2 ILE 34 -0.238 -10.804 -5.437 272 HG22 ILE 34 2HG2 ILE 34 1.237 -11.732 -5.162 273 HG23 ILE 34 3HG2 ILE 34 1.337 -10.003 -5.487 274 HD11 ILE 34 1HD1 ILE 34 0.369 -8.128 -5.099 275 HD12 ILE 34 2HD1 ILE 34 1.592 -7.843 -3.861 276 HD13 ILE 34 3HD1 ILE 34 0.032 -7.035 -3.759 277 H LEU 35 H LEU 35 -1.845 -10.307 -1.473 278 HA LEU 35 HA LEU 35 -0.757 -10.810 1.235 279 HB2 LEU 35 2HB LEU 35 -2.249 -8.530 -0.032 280 HB3 LEU 35 3HB LEU 35 -2.719 -8.909 1.610 281 HG LEU 35 HG LEU 35 -1.057 -7.072 1.474 282 HD11 LEU 35 1HD1 LEU 35 0.420 -7.856 3.258 283 HD12 LEU 35 2HD1 LEU 35 -0.017 -9.533 2.916 284 HD13 LEU 35 3HD1 LEU 35 -1.235 -8.405 3.520 285 HD21 LEU 35 1HD2 LEU 35 0.896 -9.171 0.462 286 HD22 LEU 35 2HD2 LEU 35 1.290 -7.504 0.899 287 HD23 LEU 35 3HD2 LEU 35 0.240 -7.830 -0.479 288 H SER 36 H SER 36 -2.779 -10.745 2.877 289 HA SER 36 HA SER 36 -4.442 -12.979 2.374 290 HB2 SER 36 2HB SER 36 -4.988 -10.808 4.435 291 HB3 SER 36 3HB SER 36 -5.447 -12.509 4.507 292 HG SER 36 HG SER 36 -3.700 -12.507 5.723 293 HA PRO 37 HA PRO 37 -7.855 -11.015 0.052 294 HB2 PRO 37 2HB PRO 37 -9.958 -12.627 0.931 295 HB3 PRO 37 3HB PRO 37 -8.811 -13.083 -0.344 296 HG2 PRO 37 2HG PRO 37 -8.771 -13.838 2.565 297 HG3 PRO 37 3HG PRO 37 -8.485 -14.856 1.132 298 HD2 PRO 37 2HD PRO 37 -6.417 -13.936 2.568 299 HD3 PRO 37 3HD PRO 37 -6.317 -14.016 0.793 300 H ASP 38 H ASP 38 -7.799 -11.333 3.503 301 HA ASP 38 HA ASP 38 -9.997 -9.611 4.155 302 HB2 ASP 38 2HB ASP 38 -7.556 -10.301 5.861 303 HB3 ASP 38 3HB ASP 38 -9.100 -9.684 6.445 304 H VAL 39 H VAL 39 -6.571 -9.128 3.463 305 HA VAL 39 HA VAL 39 -6.203 -6.567 4.611 306 HB VAL 39 HB VAL 39 -4.644 -8.003 2.414 307 HG11 VAL 39 1HG1 VAL 39 -4.252 -5.597 2.108 308 HG12 VAL 39 2HG1 VAL 39 -2.807 -6.359 2.773 309 HG13 VAL 39 3HG1 VAL 39 -3.869 -5.415 3.821 310 HG21 VAL 39 1HG2 VAL 39 -4.558 -9.078 4.630 311 HG22 VAL 39 2HG2 VAL 39 -4.018 -7.568 5.362 312 HG23 VAL 39 3HG2 VAL 39 -2.981 -8.409 4.205 313 H LEU 40 H LEU 40 -7.184 -7.565 1.320 314 HA LEU 40 HA LEU 40 -6.978 -5.047 0.084 315 HB2 LEU 40 2HB LEU 40 -8.162 -5.969 -1.751 316 HB3 LEU 40 3HB LEU 40 -7.230 -7.274 -1.059 317 HG LEU 40 HG LEU 40 -9.610 -7.766 0.188 318 HD11 LEU 40 1HD1 LEU 40 -10.836 -5.924 -0.851 319 HD12 LEU 40 2HD1 LEU 40 -11.503 -7.481 -1.336 320 HD13 LEU 40 3HD1 LEU 40 -10.487 -6.569 -2.458 321 HD21 LEU 40 1HD2 LEU 40 -8.343 -9.398 -1.087 322 HD22 LEU 40 2HD2 LEU 40 -8.937 -8.716 -2.602 323 HD23 LEU 40 3HD2 LEU 40 -10.058 -9.488 -1.475 324 H ASP 41 H ASP 41 -9.508 -6.480 2.028 325 HA ASP 41 HA ASP 41 -11.601 -4.647 1.372 326 HB2 ASP 41 2HB ASP 41 -12.075 -6.957 2.141 327 HB3 ASP 41 3HB ASP 41 -11.383 -6.580 3.717 328 H GLN 42 H GLN 42 -9.540 -5.029 4.307 329 HA GLN 42 HA GLN 42 -10.579 -2.813 5.698 330 HB2 GLN 42 2HB GLN 42 -8.579 -2.980 7.145 331 HB3 GLN 42 3HB GLN 42 -9.305 -4.553 6.846 332 HG2 GLN 42 2HG GLN 42 -7.558 -5.078 5.206 333 HG3 GLN 42 3HG GLN 42 -6.848 -3.480 5.431 334 HE21 GLN 42 1HE2 GLN 42 -4.858 -4.439 6.028 335 HE22 GLN 42 2HE2 GLN 42 -4.622 -5.175 7.573 336 H VAL 43 H VAL 43 -8.108 -2.977 3.216 337 HA VAL 43 HA VAL 43 -7.070 -0.325 3.499 338 HB VAL 43 HB VAL 43 -6.940 -2.351 1.218 339 HG11 VAL 43 1HG1 VAL 43 -5.534 0.346 1.321 340 HG12 VAL 43 2HG1 VAL 43 -6.806 -0.119 0.190 341 HG13 VAL 43 3HG1 VAL 43 -5.236 -0.922 0.127 342 HG21 VAL 43 1HG2 VAL 43 -5.634 -2.920 3.246 343 HG22 VAL 43 2HG2 VAL 43 -4.794 -1.371 3.147 344 HG23 VAL 43 3HG2 VAL 43 -4.568 -2.580 1.880 345 H ARG 44 H ARG 44 -9.546 -1.776 1.323 346 HA ARG 44 HA ARG 44 -10.045 0.680 -0.084 347 HB2 ARG 44 2HB ARG 44 -11.820 -0.512 -1.265 348 HB3 ARG 44 3HB ARG 44 -10.386 -1.531 -1.166 349 HG2 ARG 44 2HG ARG 44 -11.385 -2.801 0.673 350 HG3 ARG 44 3HG ARG 44 -12.808 -1.764 0.646 351 HD2 ARG 44 2HD ARG 44 -13.368 -2.594 -1.613 352 HD3 ARG 44 3HD ARG 44 -11.924 -3.623 -1.595 353 HE ARG 44 HE ARG 44 -13.550 -4.104 0.691 354 HH11 ARG 44 1HH1 ARG 44 -13.463 -4.843 -2.741 355 HH12 ARG 44 2HH1 ARG 44 -14.379 -6.302 -2.566 356 HH21 ARG 44 1HH2 ARG 44 -14.699 -6.044 0.904 357 HH22 ARG 44 2HH2 ARG 44 -15.078 -6.983 -0.512 358 H GLU 45 H GLU 45 -11.337 -0.672 2.865 359 HA GLU 45 HA GLU 45 -13.674 1.058 2.920 360 HB2 GLU 45 2HB GLU 45 -12.479 -0.653 5.144 361 HB3 GLU 45 3HB GLU 45 -14.040 0.158 5.201 362 HG2 GLU 45 2HG GLU 45 -13.236 -2.146 3.408 363 HG3 GLU 45 3HG GLU 45 -14.408 -2.172 4.716 364 H HIS 46 H HIS 46 -10.420 1.022 4.355 365 HA HIS 46 HA HIS 46 -10.650 3.495 5.760 366 HB2 HIS 46 2HB HIS 46 -8.818 1.913 6.279 367 HB3 HIS 46 3HB HIS 46 -8.149 2.134 4.663 368 HD1 HIS 46 HD1 HIS 46 -9.041 4.379 7.623 369 HD2 HIS 46 HD2 HIS 46 -6.172 4.020 4.635 370 HE1 HIS 46 HE1 HIS 46 -7.477 6.321 7.940 371 HE2 HIS 46 HE2 HIS 46 -5.680 5.985 6.217 372 H ALA 47 H ALA 47 -10.087 2.636 2.486 373 HA ALA 47 HA ALA 47 -9.106 5.061 1.417 374 HB1 ALA 47 1HB ALA 47 -8.936 2.922 0.280 375 HB2 ALA 47 2HB ALA 47 -9.832 4.070 -0.715 376 HB3 ALA 47 3HB ALA 47 -10.693 2.812 0.169 377 H ARG 48 H ARG 48 -12.379 3.744 1.899 378 HA ARG 48 HA ARG 48 -13.828 5.829 0.658 379 HB2 ARG 48 2HB ARG 48 -14.605 3.761 2.744 380 HB3 ARG 48 3HB ARG 48 -15.754 4.959 2.157 381 HG2 ARG 48 2HG ARG 48 -15.483 4.090 -0.150 382 HG3 ARG 48 3HG ARG 48 -14.346 2.877 0.443 383 HD2 ARG 48 2HD ARG 48 -16.062 1.758 1.704 384 HD3 ARG 48 3HD ARG 48 -17.198 3.088 1.469 385 HE ARG 48 HE ARG 48 -16.875 2.385 -1.045 386 HH11 ARG 48 1HH1 ARG 48 -17.272 0.203 1.711 387 HH12 ARG 48 2HH1 ARG 48 -18.020 -1.035 0.757 388 HH21 ARG 48 1HH2 ARG 48 -17.843 0.729 -2.268 389 HH22 ARG 48 2HH2 ARG 48 -18.346 -0.740 -1.486 390 H GLU 49 H GLU 49 -12.241 5.653 3.750 391 HA GLU 49 HA GLU 49 -13.567 7.834 5.059 392 HB2 GLU 49 2HB GLU 49 -10.803 6.628 5.516 393 HB3 GLU 49 3HB GLU 49 -11.563 7.806 6.581 394 HG2 GLU 49 2HG GLU 49 -13.314 6.235 7.167 395 HG3 GLU 49 3HG GLU 49 -12.730 5.080 5.968 396 H LEU 50 H LEU 50 -10.524 7.535 3.210 397 HA LEU 50 HA LEU 50 -9.822 10.306 3.235 398 HB2 LEU 50 2HB LEU 50 -8.948 8.078 1.352 399 HB3 LEU 50 3HB LEU 50 -8.184 9.658 1.459 400 HG LEU 50 HG LEU 50 -8.230 7.565 3.678 401 HD11 LEU 50 1HD1 LEU 50 -5.932 8.459 1.908 402 HD12 LEU 50 2HD1 LEU 50 -6.774 6.911 1.817 403 HD13 LEU 50 3HD1 LEU 50 -5.832 7.311 3.250 404 HD21 LEU 50 1HD2 LEU 50 -8.226 9.827 4.600 405 HD22 LEU 50 2HD2 LEU 50 -6.845 10.263 3.590 406 HD23 LEU 50 3HD2 LEU 50 -6.669 9.047 4.858 407 H GLN 51 H GLN 51 -11.967 8.396 1.334 408 HA GLN 51 HA GLN 51 -12.167 10.022 -1.000 409 HB2 GLN 51 2HB GLN 51 -12.788 7.591 -0.898 410 HB3 GLN 51 3HB GLN 51 -14.161 8.003 0.122 411 HG2 GLN 51 2HG GLN 51 -14.931 7.650 -2.149 412 HG3 GLN 51 3HG GLN 51 -15.108 9.358 -1.748 413 HE21 GLN 51 1HE2 GLN 51 -13.368 7.033 -3.651 414 HE22 GLN 51 2HE2 GLN 51 -12.595 8.156 -4.706 415 H LYS 52 H LYS 52 -13.694 10.119 2.177 416 HA LYS 52 HA LYS 52 -15.807 11.973 1.442 417 HB2 LYS 52 2HB LYS 52 -14.742 11.303 4.224 418 HB3 LYS 52 3HB LYS 52 -16.250 12.140 3.858 419 HG2 LYS 52 2HG LYS 52 -17.067 10.050 2.727 420 HG3 LYS 52 3HG LYS 52 -15.591 9.242 3.267 421 HD2 LYS 52 2HD LYS 52 -16.282 9.931 5.662 422 HD3 LYS 52 3HD LYS 52 -17.854 10.344 4.973 423 HE2 LYS 52 2HE LYS 52 -17.949 8.105 5.917 424 HE3 LYS 52 3HE LYS 52 -18.062 7.986 4.160 425 HZ1 LYS 52 1HZ LYS 52 -15.611 7.546 5.781 426 HZ2 LYS 52 2HZ LYS 52 -15.703 7.444 4.098 427 HZ3 LYS 52 3HZ LYS 52 -16.549 6.340 5.054 428 H GLN 53 H GLN 53 -12.519 12.308 1.755 429 HA GLN 53 HA GLN 53 -12.614 15.133 2.647 430 HB2 GLN 53 2HB GLN 53 -10.294 13.149 2.877 431 HB3 GLN 53 3HB GLN 53 -10.305 14.818 3.448 432 HG2 GLN 53 2HG GLN 53 -12.096 14.254 5.054 433 HG3 GLN 53 3HG GLN 53 -12.074 12.588 4.487 434 HE21 GLN 53 1HE2 GLN 53 -9.204 14.597 5.066 435 HE22 GLN 53 2HE2 GLN 53 -8.616 13.659 6.392 436 H GLY 54 H GLY 54 -10.657 16.368 1.753 437 HA2 GLY 54 2HA GLY 54 -10.505 15.996 -1.161 438 HA3 GLY 54 3HA GLY 54 -10.113 17.451 -0.260 439 H ILE 55 H ILE 55 -8.844 14.417 0.906 440 HA ILE 55 HA ILE 55 -6.116 15.223 0.457 441 HB ILE 55 HB ILE 55 -7.081 12.478 1.412 442 HG12 ILE 55 2HG1 ILE 55 -6.345 14.953 3.044 443 HG13 ILE 55 3HG1 ILE 55 -7.936 14.218 2.933 444 HG21 ILE 55 1HG2 ILE 55 -4.360 13.823 1.716 445 HG22 ILE 55 2HG2 ILE 55 -4.730 12.503 0.609 446 HG23 ILE 55 3HG2 ILE 55 -4.803 12.234 2.348 447 HD11 ILE 55 1HD1 ILE 55 -7.083 12.226 4.083 448 HD12 ILE 55 2HD1 ILE 55 -6.897 13.695 5.038 449 HD13 ILE 55 3HD1 ILE 55 -5.499 12.994 4.225 450 H HIS 56 H HIS 56 -5.991 15.431 -1.788 451 HA HIS 56 HA HIS 56 -6.017 12.962 -3.420 452 HB2 HIS 56 2HB HIS 56 -5.914 15.922 -4.172 453 HB3 HIS 56 3HB HIS 56 -5.666 14.636 -5.348 454 HD1 HIS 56 HD1 HIS 56 -7.694 13.485 -6.280 455 HD2 HIS 56 HD2 HIS 56 -8.635 16.047 -3.140 456 HE1 HIS 56 HE1 HIS 56 -10.200 13.619 -6.243 457 HE2 HIS 56 HE2 HIS 56 -10.734 15.239 -4.396 458 H PHE 57 H PHE 57 -4.103 11.918 -3.387 459 HA PHE 57 HA PHE 57 -1.580 13.450 -3.060 460 HB2 PHE 57 2HB PHE 57 -0.708 11.360 -1.888 461 HB3 PHE 57 3HB PHE 57 -1.935 12.265 -1.014 462 HD1 PHE 57 HD1 PHE 57 -1.231 9.111 -2.820 463 HD2 PHE 57 HD2 PHE 57 -4.156 11.312 -0.596 464 HE1 PHE 57 HE1 PHE 57 -2.585 7.083 -2.571 465 HE2 PHE 57 HE2 PHE 57 -5.499 9.260 -0.356 466 HZ PHE 57 HZ PHE 57 -4.704 7.161 -1.355 467 H GLU 58 H GLU 58 0.036 13.055 -4.449 468 HA GLU 58 HA GLU 58 -0.389 11.132 -6.652 469 HB2 GLU 58 2HB GLU 58 1.379 13.614 -6.479 470 HB3 GLU 58 3HB GLU 58 1.265 12.560 -7.885 471 HG2 GLU 58 2HG GLU 58 -1.051 14.126 -6.715 472 HG3 GLU 58 3HG GLU 58 -0.070 14.654 -8.078 473 H VAL 59 H VAL 59 0.790 9.360 -6.630 474 HA VAL 59 HA VAL 59 2.925 8.818 -4.807 475 HB VAL 59 HB VAL 59 2.072 7.186 -7.253 476 HG11 VAL 59 1HG1 VAL 59 3.664 6.315 -4.809 477 HG12 VAL 59 2HG1 VAL 59 4.299 6.530 -6.441 478 HG13 VAL 59 3HG1 VAL 59 3.124 5.256 -6.117 479 HG21 VAL 59 1HG2 VAL 59 0.682 5.833 -5.737 480 HG22 VAL 59 2HG2 VAL 59 0.162 7.520 -5.717 481 HG23 VAL 59 3HG2 VAL 59 1.117 6.876 -4.380 482 H LYS 60 H LYS 60 4.758 9.942 -5.088 483 HA LYS 60 HA LYS 60 5.661 10.942 -7.646 484 HB2 LYS 60 2HB LYS 60 6.900 11.067 -4.861 485 HB3 LYS 60 3HB LYS 60 7.529 11.923 -6.267 486 HG2 LYS 60 2HG LYS 60 4.801 12.350 -5.008 487 HG3 LYS 60 3HG LYS 60 6.208 13.393 -4.804 488 HD2 LYS 60 2HD LYS 60 4.743 12.869 -7.422 489 HD3 LYS 60 3HD LYS 60 4.640 14.334 -6.444 490 HE2 LYS 60 2HE LYS 60 7.147 14.619 -6.784 491 HE3 LYS 60 3HE LYS 60 7.061 13.302 -7.956 492 HZ1 LYS 60 1HZ LYS 60 5.496 15.818 -8.139 493 HZ2 LYS 60 2HZ LYS 60 5.583 14.593 -9.298 494 HZ3 LYS 60 3HZ LYS 60 6.947 15.529 -8.962 495 H ARG 61 H ARG 61 6.749 8.585 -5.276 496 HA ARG 61 HA ARG 61 8.323 7.114 -7.227 497 HB2 ARG 61 2HB ARG 61 9.974 8.777 -6.485 498 HB3 ARG 61 3HB ARG 61 9.595 8.477 -4.795 499 HG2 ARG 61 2HG ARG 61 11.755 7.486 -5.456 500 HG3 ARG 61 3HG ARG 61 10.605 6.259 -4.919 501 HD2 ARG 61 2HD ARG 61 11.867 5.505 -6.887 502 HD3 ARG 61 3HD ARG 61 10.152 5.648 -7.258 503 HE ARG 61 HE ARG 61 10.608 7.605 -8.531 504 HH11 ARG 61 1HH1 ARG 61 13.552 5.971 -7.474 505 HH12 ARG 61 2HH1 ARG 61 14.546 6.735 -8.676 506 HH21 ARG 61 1HH2 ARG 61 11.915 8.586 -10.096 507 HH22 ARG 61 2HH2 ARG 61 13.613 8.219 -10.162 508 H VAL 62 H VAL 62 8.430 4.981 -6.681 509 HA VAL 62 HA VAL 62 7.774 4.116 -3.934 510 HB VAL 62 HB VAL 62 5.726 3.750 -5.162 511 HG11 VAL 62 1HG1 VAL 62 7.297 2.286 -7.305 512 HG12 VAL 62 2HG1 VAL 62 6.543 3.873 -7.463 513 HG13 VAL 62 3HG1 VAL 62 5.538 2.440 -7.234 514 HG21 VAL 62 1HG2 VAL 62 5.427 1.305 -4.974 515 HG22 VAL 62 2HG2 VAL 62 6.345 1.944 -3.612 516 HG23 VAL 62 3HG2 VAL 62 7.177 1.087 -4.910 517 H GLU 63 H GLU 63 9.623 3.247 -3.206 518 HA GLU 63 HA GLU 63 11.187 1.416 -4.925 519 HB2 GLU 63 2HB GLU 63 12.201 3.763 -3.296 520 HB3 GLU 63 3HB GLU 63 13.235 2.354 -3.509 521 HG2 GLU 63 2HG GLU 63 13.037 2.614 -5.985 522 HG3 GLU 63 3HG GLU 63 12.062 4.057 -5.729 523 H VAL 64 H VAL 64 11.448 -0.467 -4.054 524 HA VAL 64 HA VAL 64 10.478 -0.982 -1.331 525 HB VAL 64 HB VAL 64 9.292 -2.169 -3.079 526 HG11 VAL 64 1HG1 VAL 64 10.333 -3.747 -4.658 527 HG12 VAL 64 2HG1 VAL 64 11.932 -3.318 -4.044 528 HG13 VAL 64 3HG1 VAL 64 10.956 -2.108 -4.878 529 HG21 VAL 64 1HG2 VAL 64 9.553 -4.512 -2.385 530 HG22 VAL 64 2HG2 VAL 64 9.638 -3.423 -0.999 531 HG23 VAL 64 3HG2 VAL 64 11.116 -4.131 -1.653 532 H THR 65 H THR 65 11.751 -1.898 0.223 533 HA THR 65 HA THR 65 14.531 -2.729 -0.364 534 HB THR 65 HB THR 65 13.683 -0.650 1.726 535 HG1 THR 65 HG1 THR 65 15.266 -0.491 -0.639 536 HG21 THR 65 1HG2 THR 65 16.059 -0.441 2.316 537 HG22 THR 65 2HG2 THR 65 16.473 -1.747 1.203 538 HG23 THR 65 3HG2 THR 65 15.496 -2.088 2.633 539 H THR 66 H THR 66 15.196 -4.440 0.942 540 HA THR 66 HA THR 66 13.180 -5.634 2.719 541 HB THR 66 HB THR 66 14.783 -7.655 2.594 542 HG1 THR 66 HG1 THR 66 16.649 -6.629 1.848 543 HG21 THR 66 1HG2 THR 66 13.544 -6.663 0.006 544 HG22 THR 66 2HG2 THR 66 12.699 -7.541 1.285 545 HG23 THR 66 3HG2 THR 66 13.983 -8.331 0.366 546 H ASP 67 H ASP 67 13.758 -6.495 4.764 547 HA ASP 67 HA ASP 67 16.266 -5.689 6.055 548 HB2 ASP 67 2HB ASP 67 14.629 -3.812 6.446 549 HB3 ASP 67 3HB ASP 67 13.509 -4.953 7.175 550 H GLY 68 H GLY 68 16.859 -7.801 6.343 551 HA2 GLY 68 2HA GLY 68 16.887 -9.969 7.059 552 HA3 GLY 68 3HA GLY 68 15.626 -9.533 8.208 553 H ASN 69 H ASN 69 13.769 -10.641 7.945 554 HA ASN 69 HA ASN 69 13.107 -11.878 5.342 555 HB2 ASN 69 2HB ASN 69 11.528 -13.268 6.585 556 HB3 ASN 69 3HB ASN 69 13.087 -13.318 7.398 557 HD21 ASN 69 1HD2 ASN 69 13.286 -12.320 9.437 558 HD22 ASN 69 2HD2 ASN 69 11.914 -11.849 10.372 559 H THR 70 H THR 70 12.310 -9.096 7.125 560 HA THR 70 HA THR 70 9.539 -8.965 6.090 561 HB THR 70 HB THR 70 10.826 -7.370 8.347 562 HG1 THR 70 HG1 THR 70 9.894 -9.874 8.299 563 HG21 THR 70 1HG2 THR 70 8.983 -6.109 7.321 564 HG22 THR 70 2HG2 THR 70 8.470 -6.738 8.887 565 HG23 THR 70 3HG2 THR 70 7.935 -7.531 7.409 566 H VAL 71 H VAL 71 9.063 -7.519 4.556 567 HA VAL 71 HA VAL 71 11.230 -5.815 3.509 568 HB VAL 71 HB VAL 71 10.363 -7.551 2.019 569 HG11 VAL 71 1HG1 VAL 71 8.149 -7.610 1.083 570 HG12 VAL 71 2HG1 VAL 71 7.679 -6.227 2.070 571 HG13 VAL 71 3HG1 VAL 71 8.079 -7.762 2.843 572 HG21 VAL 71 1HG2 VAL 71 11.250 -5.515 1.005 573 HG22 VAL 71 2HG2 VAL 71 9.638 -4.797 1.021 574 HG23 VAL 71 3HG2 VAL 71 9.967 -6.204 0.006 575 H ASN 72 H ASN 72 10.980 -3.672 3.249 576 HA ASN 72 HA ASN 72 8.527 -2.291 4.194 577 HB2 ASN 72 2HB ASN 72 11.452 -1.480 4.633 578 HB3 ASN 72 3HB ASN 72 10.047 -0.552 5.149 579 HD21 ASN 72 1HD2 ASN 72 11.812 -3.578 5.656 580 HD22 ASN 72 2HD2 ASN 72 11.235 -3.853 7.262 581 H VAL 73 H VAL 73 7.664 -1.220 2.489 582 HA VAL 73 HA VAL 73 9.352 -0.399 0.227 583 HB VAL 73 HB VAL 73 6.309 -0.238 0.476 584 HG11 VAL 73 1HG1 VAL 73 8.117 0.063 -1.959 585 HG12 VAL 73 2HG1 VAL 73 7.183 1.348 -1.187 586 HG13 VAL 73 3HG1 VAL 73 6.351 0.019 -1.997 587 HG21 VAL 73 1HG2 VAL 73 6.258 -2.264 -0.941 588 HG22 VAL 73 2HG2 VAL 73 7.080 -2.572 0.591 589 HG23 VAL 73 3HG2 VAL 73 8.021 -2.350 -0.884 590 H THR 74 H THR 74 10.274 1.528 0.339 591 HA THR 74 HA THR 74 9.162 3.746 1.886 592 HB THR 74 HB THR 74 11.747 3.536 0.269 593 HG1 THR 74 HG1 THR 74 11.061 2.584 2.713 594 HG21 THR 74 1HG2 THR 74 11.084 5.898 0.545 595 HG22 THR 74 2HG2 THR 74 12.476 5.532 1.566 596 HG23 THR 74 3HG2 THR 74 10.871 5.647 2.284 597 H VAL 75 H VAL 75 7.551 4.722 0.845 598 HA VAL 75 HA VAL 75 7.722 5.328 -2.048 599 HB VAL 75 HB VAL 75 6.021 3.618 -1.649 600 HG11 VAL 75 1HG1 VAL 75 4.701 5.479 0.336 601 HG12 VAL 75 2HG1 VAL 75 5.614 4.022 0.736 602 HG13 VAL 75 3HG1 VAL 75 4.117 3.897 -0.181 603 HG21 VAL 75 1HG2 VAL 75 4.000 4.721 -2.572 604 HG22 VAL 75 2HG2 VAL 75 5.473 5.250 -3.387 605 HG23 VAL 75 3HG2 VAL 75 4.703 6.300 -2.200 606 H GLU 76 H GLU 76 7.839 7.427 -2.438 607 HA GLU 76 HA GLU 76 7.155 9.445 -0.422 608 HB2 GLU 76 2HB GLU 76 9.386 9.527 -1.502 609 HB3 GLU 76 3HB GLU 76 8.629 9.634 -3.090 610 HG2 GLU 76 2HG GLU 76 9.426 11.828 -2.369 611 HG3 GLU 76 3HG GLU 76 7.668 11.814 -2.492 612 H LEU 77 H LEU 77 5.414 10.787 -0.665 613 HA LEU 77 HA LEU 77 3.979 10.941 -3.244 614 HB2 LEU 77 2HB LEU 77 2.474 10.529 -0.614 615 HB3 LEU 77 3HB LEU 77 1.796 10.662 -2.224 616 HG LEU 77 HG LEU 77 3.213 8.431 -2.671 617 HD11 LEU 77 1HD1 LEU 77 4.325 8.374 -0.493 618 HD12 LEU 77 2HD1 LEU 77 3.327 6.944 -0.744 619 HD13 LEU 77 3HD1 LEU 77 2.763 8.240 0.316 620 HD21 LEU 77 1HD2 LEU 77 0.801 8.579 -2.913 621 HD22 LEU 77 2HD2 LEU 77 0.588 8.422 -1.167 622 HD23 LEU 77 3HD2 LEU 77 1.250 7.078 -2.103 623 H GLU 78 H GLU 78 2.729 12.865 -3.480 624 HA GLU 78 HA GLU 78 3.181 14.993 -1.460 625 HB2 GLU 78 2HB GLU 78 2.676 15.182 -4.462 626 HB3 GLU 78 3HB GLU 78 2.540 16.568 -3.384 627 HG2 GLU 78 2HG GLU 78 4.901 16.222 -2.693 628 HG3 GLU 78 3HG GLU 78 5.034 14.931 -3.886 629 H GLU 79 H GLU 79 1.488 14.938 -0.111 630 HA GLU 79 HA GLU 79 -1.210 14.278 -0.981 631 HB2 GLU 79 2HB GLU 79 -0.205 15.055 1.794 632 HB3 GLU 79 3HB GLU 79 -1.788 14.383 1.406 633 HG2 GLU 79 2HG GLU 79 -0.641 12.288 0.607 634 HG3 GLU 79 3HG GLU 79 0.887 12.973 1.168 635 H THR 80 H THR 80 -2.188 15.907 -2.051 636 HA THR 80 HA THR 80 -2.097 18.687 -1.174 637 HB THR 80 HB THR 80 -3.775 17.415 -3.399 638 HG1 THR 80 HG1 THR 80 -1.721 17.090 -4.052 639 HG21 THR 80 1HG2 THR 80 -3.902 19.695 -4.324 640 HG22 THR 80 2HG2 THR 80 -2.953 20.316 -2.973 641 HG23 THR 80 3HG2 THR 80 -4.569 19.664 -2.688 642 H THR 81 H THR 81 -3.211 18.967 0.668 643 HA THR 81 HA THR 81 -6.044 18.293 0.859 644 HB THR 81 HB THR 81 -5.121 16.323 1.870 645 HG1 THR 81 HG1 THR 81 -5.595 17.220 4.299 646 HG21 THR 81 1HG2 THR 81 -3.527 16.315 3.737 647 HG22 THR 81 2HG2 THR 81 -3.397 18.072 3.662 648 HG23 THR 81 3HG2 THR 81 -2.812 17.093 2.316 649 H GLY 82 H GLY 82 -7.179 19.763 2.028 650 HA2 GLY 82 2HA GLY 82 -7.700 21.803 2.935 651 HA3 GLY 82 3HA GLY 82 -6.156 21.751 3.771 652 H GLY 83 H GLY 83 -6.244 21.522 0.299 653 HA2 GLY 83 2HA GLY 83 -5.620 22.928 -1.399 654 HA3 GLY 83 3HA GLY 83 -5.858 24.296 -0.326 655 H THR 84 H THR 84 -3.711 21.880 0.868 656 HA THR 84 HA THR 84 -1.318 23.341 -0.095 657 HB THR 84 HB THR 84 -0.294 22.775 2.223 658 HG1 THR 84 HG1 THR 84 -3.056 22.336 2.742 659 HG21 THR 84 1HG2 THR 84 -0.890 25.099 1.608 660 HG22 THR 84 2HG2 THR 84 -1.233 24.789 3.310 661 HG23 THR 84 3HG2 THR 84 -2.554 24.810 2.144 662 H THR 85 H THR 85 0.039 22.087 -1.152 663 HA THR 85 HA THR 85 -0.085 19.171 -1.086 664 HB THR 85 HB THR 85 1.650 21.062 -2.747 665 HG1 THR 85 HG1 THR 85 -0.696 19.684 -3.580 666 HG21 THR 85 1HG2 THR 85 2.600 18.786 -2.710 667 HG22 THR 85 2HG2 THR 85 1.914 19.155 -4.292 668 HG23 THR 85 3HG2 THR 85 1.028 18.117 -3.175 669 H THR 86 H THR 86 1.102 18.080 0.359 670 HA THR 86 HA THR 86 3.631 19.204 1.440 671 HB THR 86 HB THR 86 1.637 17.390 2.890 672 HG1 THR 86 HG1 THR 86 0.905 19.225 3.892 673 HG21 THR 86 1HG2 THR 86 2.920 17.968 4.919 674 HG22 THR 86 2HG2 THR 86 4.042 18.935 3.961 675 HG23 THR 86 3HG2 THR 86 3.971 17.185 3.734 676 H ASN 87 H ASN 87 5.397 17.910 1.298 677 HA ASN 87 HA ASN 87 5.297 15.358 -0.069 678 HB2 ASN 87 2HB ASN 87 7.695 16.714 1.253 679 HB3 ASN 87 3HB ASN 87 7.741 15.441 0.037 680 HD21 ASN 87 1HD2 ASN 87 7.166 15.977 -2.133 681 HD22 ASN 87 2HD2 ASN 87 7.252 17.604 -2.696 682 H THR 88 H THR 88 5.223 13.395 0.925 683 HA THR 88 HA THR 88 5.869 13.070 3.773 684 HB THR 88 HB THR 88 3.168 12.237 2.597 685 HG1 THR 88 HG1 THR 88 2.383 14.008 3.402 686 HG21 THR 88 1HG2 THR 88 2.585 11.630 4.915 687 HG22 THR 88 2HG2 THR 88 4.215 12.047 5.448 688 HG23 THR 88 3HG2 THR 88 3.967 10.686 4.350 689 H THR 89 H THR 89 7.069 11.281 3.981 690 HA THR 89 HA THR 89 7.075 9.189 1.949 691 HB THR 89 HB THR 89 8.750 9.253 4.495 692 HG1 THR 89 HG1 THR 89 8.919 10.842 2.239 693 HG21 THR 89 1HG2 THR 89 10.318 7.888 3.189 694 HG22 THR 89 2HG2 THR 89 9.285 8.014 1.765 695 HG23 THR 89 3HG2 THR 89 8.727 7.117 3.182 696 H TYR 90 H TYR 90 5.892 7.357 2.210 697 HA TYR 90 HA TYR 90 5.080 6.462 4.908 698 HB2 TYR 90 2HB TYR 90 3.923 5.871 2.151 699 HB3 TYR 90 3HB TYR 90 3.501 4.919 3.569 700 HD1 TYR 90 HD1 TYR 90 3.318 8.352 2.106 701 HD2 TYR 90 HD2 TYR 90 1.876 5.706 5.129 702 HE1 TYR 90 HE1 TYR 90 1.546 9.956 2.657 703 HE2 TYR 90 HE2 TYR 90 0.107 7.310 5.691 704 HH TYR 90 HH TYR 90 -0.620 10.025 3.725 705 H GLU 91 H GLU 91 5.582 4.366 5.549 706 HA GLU 91 HA GLU 91 7.324 2.712 3.809 707 HB2 GLU 91 2HB GLU 91 7.642 3.206 6.806 708 HB3 GLU 91 3HB GLU 91 8.600 2.064 5.862 709 HG2 GLU 91 2HG GLU 91 9.596 3.889 4.576 710 HG3 GLU 91 3HG GLU 91 8.542 5.062 5.362 711 H LEU 92 H LEU 92 5.970 1.120 3.264 712 HA LEU 92 HA LEU 92 3.959 0.097 5.144 713 HB2 LEU 92 2HB LEU 92 4.349 -0.390 2.156 714 HB3 LEU 92 3HB LEU 92 3.113 -1.172 3.126 715 HG LEU 92 HG LEU 92 2.186 1.158 3.654 716 HD11 LEU 92 1HD1 LEU 92 4.159 2.485 3.095 717 HD12 LEU 92 2HD1 LEU 92 2.747 3.013 2.186 718 HD13 LEU 92 3HD1 LEU 92 3.993 2.040 1.395 719 HD21 LEU 92 1HD2 LEU 92 0.960 1.362 1.554 720 HD22 LEU 92 2HD2 LEU 92 1.107 -0.328 2.032 721 HD23 LEU 92 3HD2 LEU 92 2.132 0.314 0.747 722 H ARG 93 H ARG 93 4.662 -1.433 6.433 723 HA ARG 93 HA ARG 93 6.977 -3.073 5.783 724 HB2 ARG 93 2HB ARG 93 6.708 -1.813 7.992 725 HB3 ARG 93 3HB ARG 93 5.405 -2.927 8.401 726 HG2 ARG 93 2HG ARG 93 7.001 -4.823 8.252 727 HG3 ARG 93 3HG ARG 93 8.292 -3.685 7.860 728 HD2 ARG 93 2HD ARG 93 7.781 -2.563 10.110 729 HD3 ARG 93 3HD ARG 93 6.782 -3.973 10.475 730 HE ARG 93 HE ARG 93 9.708 -3.985 10.031 731 HH11 ARG 93 1HH1 ARG 93 6.870 -5.590 11.371 732 HH12 ARG 93 2HH1 ARG 93 7.803 -6.798 12.194 733 HH21 ARG 93 1HH2 ARG 93 10.905 -5.572 11.116 734 HH22 ARG 93 2HH2 ARG 93 10.086 -6.785 12.048 735 H PHE 94 H PHE 94 6.304 -4.673 4.441 736 HA PHE 94 HA PHE 94 3.946 -6.290 4.997 737 HB2 PHE 94 2HB PHE 94 6.027 -6.435 2.769 738 HB3 PHE 94 3HB PHE 94 4.584 -7.425 2.857 739 HD1 PHE 94 HD1 PHE 94 5.942 -4.223 1.878 740 HD2 PHE 94 HD2 PHE 94 2.307 -6.324 2.713 741 HE1 PHE 94 HE1 PHE 94 4.646 -2.464 0.732 742 HE2 PHE 94 HE2 PHE 94 1.030 -4.568 1.560 743 HZ PHE 94 HZ PHE 94 2.196 -2.637 0.573 744 H GLU 95 H GLU 95 4.168 -7.781 6.537 745 HA GLU 95 HA GLU 95 6.743 -9.091 7.073 746 HB2 GLU 95 2HB GLU 95 5.315 -8.213 8.992 747 HB3 GLU 95 3HB GLU 95 4.108 -9.407 8.558 748 HG2 GLU 95 2HG GLU 95 5.894 -11.195 8.928 749 HG3 GLU 95 3HG GLU 95 6.889 -9.923 9.636 750 H VAL 96 H VAL 96 7.148 -11.109 6.375 751 HA VAL 96 HA VAL 96 5.215 -12.404 4.631 752 HB VAL 96 HB VAL 96 7.053 -13.847 3.906 753 HG11 VAL 96 1HG1 VAL 96 7.970 -10.956 4.149 754 HG12 VAL 96 2HG1 VAL 96 6.881 -11.600 2.917 755 HG13 VAL 96 3HG1 VAL 96 8.560 -12.136 2.971 756 HG21 VAL 96 1HG2 VAL 96 8.204 -14.219 6.067 757 HG22 VAL 96 2HG2 VAL 96 8.779 -12.551 6.064 758 HG23 VAL 96 3HG2 VAL 96 9.344 -13.684 4.831 759 H ASP 97 H ASP 97 4.253 -14.310 4.965 760 HA ASP 97 HA ASP 97 4.890 -15.967 7.337 761 HB2 ASP 97 2HB ASP 97 2.625 -14.932 7.489 762 HB3 ASP 97 3HB ASP 97 2.196 -15.608 5.923 763 H GLY 98 H GLY 98 6.333 -17.304 6.348 764 HA2 GLY 98 2HA GLY 98 7.060 -19.153 5.242 765 HA3 GLY 98 3HA GLY 98 5.390 -19.494 4.823 766 H ASP 99 H ASP 99 4.727 -19.152 2.788 767 HA ASP 99 HA ASP 99 6.789 -18.605 0.772 768 HB2 ASP 99 2HB ASP 99 5.489 -20.740 0.767 769 HB3 ASP 99 3HB ASP 99 4.004 -19.831 0.526 770 H THR 100 H THR 100 4.072 -17.032 2.149 771 HA THR 100 HA THR 100 3.914 -15.039 -0.045 772 HB THR 100 HB THR 100 1.974 -16.572 -0.285 773 HG1 THR 100 HG1 THR 100 0.719 -14.911 -0.716 774 HG21 THR 100 1HG2 THR 100 1.749 -17.329 2.057 775 HG22 THR 100 2HG2 THR 100 0.222 -16.689 1.446 776 HG23 THR 100 3HG2 THR 100 1.208 -15.714 2.536 777 H ILE 101 H ILE 101 2.783 -13.001 0.714 778 HA ILE 101 HA ILE 101 3.629 -12.236 3.430 779 HB ILE 101 HB ILE 101 2.426 -10.476 1.234 780 HG12 ILE 101 2HG1 ILE 101 5.382 -10.830 1.917 781 HG13 ILE 101 3HG1 ILE 101 4.590 -11.501 0.499 782 HG21 ILE 101 1HG2 ILE 101 3.287 -8.585 2.530 783 HG22 ILE 101 2HG2 ILE 101 3.948 -9.683 3.742 784 HG23 ILE 101 3HG2 ILE 101 2.202 -9.559 3.522 785 HD11 ILE 101 1HD1 ILE 101 5.853 -9.524 -0.073 786 HD12 ILE 101 2HD1 ILE 101 4.947 -8.560 1.093 787 HD13 ILE 101 3HD1 ILE 101 4.131 -9.238 -0.318 788 H ARG 102 H ARG 102 2.110 -11.805 5.066 789 HA ARG 102 HA ARG 102 -0.784 -11.898 4.404 790 HB2 ARG 102 2HB ARG 102 0.632 -13.434 6.624 791 HB3 ARG 102 3HB ARG 102 -1.113 -13.218 6.574 792 HG2 ARG 102 2HG ARG 102 0.551 -14.658 4.478 793 HG3 ARG 102 3HG ARG 102 -0.447 -15.428 5.714 794 HD2 ARG 102 2HD ARG 102 -2.462 -14.374 4.723 795 HD3 ARG 102 3HD ARG 102 -1.450 -13.623 3.484 796 HE ARG 102 HE ARG 102 -1.481 -16.553 3.714 797 HH11 ARG 102 1HH1 ARG 102 -2.417 -13.703 1.881 798 HH12 ARG 102 2HH1 ARG 102 -2.816 -14.603 0.456 799 HH21 ARG 102 1HH2 ARG 102 -1.996 -17.715 1.826 800 HH22 ARG 102 2HH2 ARG 102 -2.575 -16.868 0.425 801 H ARG 103 H ARG 103 1.452 -9.851 5.407 802 HA ARG 103 HA ARG 103 -0.307 -8.423 7.275 803 HB2 ARG 103 2HB ARG 103 2.462 -9.445 7.923 804 HB3 ARG 103 3HB ARG 103 1.894 -7.970 8.687 805 HG2 ARG 103 2HG ARG 103 0.511 -10.665 8.877 806 HG3 ARG 103 3HG ARG 103 1.591 -9.989 10.099 807 HD2 ARG 103 2HD ARG 103 0.070 -8.085 10.402 808 HD3 ARG 103 3HD ARG 103 -1.015 -8.740 9.172 809 HE ARG 103 HE ARG 103 -0.587 -10.612 11.293 810 HH11 ARG 103 1HH1 ARG 103 -2.370 -7.670 10.508 811 HH12 ARG 103 2HH1 ARG 103 -3.639 -7.987 11.646 812 HH21 ARG 103 1HH2 ARG 103 -2.291 -11.006 12.785 813 HH22 ARG 103 2HH2 ARG 103 -3.591 -9.868 12.928 814 H VAL 104 H VAL 104 -0.053 -6.234 7.324 815 HA VAL 104 HA VAL 104 2.112 -4.872 5.906 816 HB VAL 104 HB VAL 104 0.494 -5.058 4.101 817 HG11 VAL 104 1HG1 VAL 104 -1.545 -5.542 5.367 818 HG12 VAL 104 2HG1 VAL 104 -1.823 -4.222 4.231 819 HG13 VAL 104 3HG1 VAL 104 -1.606 -3.873 5.947 820 HG21 VAL 104 1HG2 VAL 104 1.680 -2.904 4.248 821 HG22 VAL 104 2HG2 VAL 104 0.389 -2.238 5.252 822 HG23 VAL 104 3HG2 VAL 104 0.066 -2.677 3.575 823 H THR 105 H THR 105 2.741 -3.138 7.081 824 HA THR 105 HA THR 105 0.850 -1.813 8.952 825 HB THR 105 HB THR 105 3.838 -2.255 9.451 826 HG1 THR 105 HG1 THR 105 1.728 -3.897 9.851 827 HG21 THR 105 1HG2 THR 105 2.942 -0.221 10.567 828 HG22 THR 105 2HG2 THR 105 3.358 -1.466 11.736 829 HG23 THR 105 3HG2 THR 105 1.668 -1.204 11.321 830 H VAL 106 H VAL 106 0.427 0.109 7.957 831 HA VAL 106 HA VAL 106 2.412 1.333 6.194 832 HB VAL 106 HB VAL 106 -0.410 2.343 6.796 833 HG11 VAL 106 1HG1 VAL 106 -0.137 3.577 4.645 834 HG12 VAL 106 2HG1 VAL 106 1.522 2.992 4.534 835 HG13 VAL 106 3HG1 VAL 106 1.054 4.067 5.852 836 HG21 VAL 106 1HG2 VAL 106 0.483 0.543 4.504 837 HG22 VAL 106 2HG2 VAL 106 -1.126 1.242 4.700 838 HG23 VAL 106 3HG2 VAL 106 -0.532 0.055 5.863 839 H THR 107 H THR 107 3.925 2.436 7.219 840 HA THR 107 HA THR 107 3.381 4.072 9.600 841 HB THR 107 HB THR 107 6.078 3.527 8.256 842 HG1 THR 107 HG1 THR 107 5.294 1.522 8.779 843 HG21 THR 107 1HG2 THR 107 7.013 3.985 10.492 844 HG22 THR 107 2HG2 THR 107 5.396 4.268 11.131 845 HG23 THR 107 3HG2 THR 107 6.069 5.373 9.932 846 H GLN 108 H GLN 108 4.010 6.343 9.604 847 HA GLN 108 HA GLN 108 4.277 7.622 6.941 848 HB2 GLN 108 2HB GLN 108 1.926 7.833 7.642 849 HB3 GLN 108 3HB GLN 108 2.415 8.460 9.212 850 HG2 GLN 108 2HG GLN 108 3.370 10.468 8.102 851 HG3 GLN 108 3HG GLN 108 2.839 9.848 6.540 852 HE21 GLN 108 1HE2 GLN 108 2.132 12.349 7.938 853 HE22 GLN 108 2HE2 GLN 108 0.408 12.341 8.058 854 H ASN 109 H ASN 109 5.692 9.255 6.835 855 HA ASN 109 HA ASN 109 7.160 10.152 9.236 856 HB2 ASN 109 2HB ASN 109 7.907 10.286 6.268 857 HB3 ASN 109 3HB ASN 109 8.865 10.999 7.563 858 HD21 ASN 109 1HD2 ASN 109 7.834 7.996 6.082 859 HD22 ASN 109 2HD2 ASN 109 9.017 6.995 6.844 860 H GLY 110 H GLY 110 5.446 11.525 9.886 861 HA2 GLY 110 2HA GLY 110 4.609 13.757 8.162 862 HA3 GLY 110 3HA GLY 110 3.962 13.340 9.746 863 H GLY 111 H GLY 111 7.173 14.150 8.427 864 HA2 GLY 111 2HA GLY 111 7.662 16.603 9.525 865 HA3 GLY 111 3HA GLY 111 8.022 15.484 10.838 866 H SER 112 H SER 112 9.887 17.199 9.590 867 HA SER 112 HA SER 112 11.949 15.281 8.839 868 HB2 SER 112 2HB SER 112 11.254 17.646 7.021 869 HB3 SER 112 3HB SER 112 12.633 16.566 6.817 870 HG SER 112 HG SER 112 10.626 14.952 6.888 871 H LEU 113 H LEU 113 13.839 15.869 9.755 872 HA LEU 113 HA LEU 113 14.041 18.264 11.360 873 HB2 LEU 113 2HB LEU 113 16.028 16.015 10.804 874 HB3 LEU 113 3HB LEU 113 16.384 17.374 11.853 875 HG LEU 113 HG LEU 113 15.812 15.520 13.269 876 HD11 LEU 113 1HD1 LEU 113 13.419 17.373 13.222 877 HD12 LEU 113 2HD1 LEU 113 14.958 17.670 14.035 878 HD13 LEU 113 3HD1 LEU 113 13.931 16.342 14.564 879 HD21 LEU 113 1HD2 LEU 113 13.711 14.258 13.171 880 HD22 LEU 113 2HD2 LEU 113 14.614 14.101 11.669 881 HD23 LEU 113 3HD2 LEU 113 13.212 15.169 11.740 882 H GLU 114 H GLU 114 15.573 17.010 8.417 883 HA GLU 114 HA GLU 114 16.225 19.780 7.602 884 HB2 GLU 114 2HB GLU 114 18.069 18.884 6.218 885 HB3 GLU 114 3HB GLU 114 18.321 18.569 7.927 886 HG2 GLU 114 2HG GLU 114 17.676 16.220 7.629 887 HG3 GLU 114 3HG GLU 114 17.300 16.515 5.932 888 H HIS 115 H HIS 115 15.425 20.437 5.679 889 HA HIS 115 HA HIS 115 14.448 18.766 3.577 890 HB2 HIS 115 2HB HIS 115 12.637 18.636 5.529 891 HB3 HIS 115 3HB HIS 115 12.201 20.256 5.021 892 HD1 HIS 115 HD1 HIS 115 10.900 17.113 4.720 893 HD2 HIS 115 HD2 HIS 115 11.869 19.937 1.830 894 HE1 HIS 115 HE1 HIS 115 9.491 16.552 2.735 895 HE2 HIS 115 HE2 HIS 115 10.257 18.129 0.942 896 H HIS 116 H HIS 116 14.376 20.037 1.714 897 HA HIS 116 HA HIS 116 15.046 22.752 1.638 898 HB2 HIS 116 2HB HIS 116 13.586 21.028 -0.400 899 HB3 HIS 116 3HB HIS 116 14.043 22.694 -0.730 900 HD1 HIS 116 HD1 HIS 116 16.750 23.134 -0.379 901 HD2 HIS 116 HD2 HIS 116 15.512 19.250 -1.180 902 HE1 HIS 116 HE1 HIS 116 18.786 21.937 -1.206 903 HE2 HIS 116 HE2 HIS 116 18.061 19.548 -1.457 904 H HIS 117 H HIS 117 13.954 24.420 2.424 905 HA HIS 117 HA HIS 117 11.220 24.174 3.331 906 HB2 HIS 117 2HB HIS 117 13.263 26.416 3.556 907 HB3 HIS 117 3HB HIS 117 11.641 26.544 4.225 908 HD1 HIS 117 HD1 HIS 117 11.116 25.188 6.357 909 HD2 HIS 117 HD2 HIS 117 15.026 24.753 5.043 910 HE1 HIS 117 HE1 HIS 117 12.344 24.137 8.258 911 HE2 HIS 117 HE2 HIS 117 14.713 23.910 7.453 912 H HIS 118 H HIS 118 10.533 23.868 0.991 913 HA HIS 118 HA HIS 118 9.910 26.367 -0.442 914 HB2 HIS 118 2HB HIS 118 10.681 24.394 -1.764 915 HB3 HIS 118 3HB HIS 118 9.309 23.462 -1.181 916 HD1 HIS 118 HD1 HIS 118 10.284 26.041 -3.702 917 HD2 HIS 118 HD2 HIS 118 6.805 24.168 -2.401 918 HE1 HIS 118 HE1 HIS 118 8.537 26.556 -5.435 919 HE2 HIS 118 HE2 HIS 118 6.419 25.547 -4.540 920 H HIS 119 H HIS 119 8.467 23.808 1.451 921 HA HIS 119 HA HIS 119 5.708 24.707 1.145 922 HB2 HIS 119 2HB HIS 119 6.365 22.253 1.204 923 HB3 HIS 119 3HB HIS 119 6.903 22.472 2.864 924 HD1 HIS 119 HD1 HIS 119 3.653 23.023 0.921 925 HD2 HIS 119 HD2 HIS 119 4.974 21.688 4.622 926 HE1 HIS 119 HE1 HIS 119 1.587 22.353 2.173 927 HE2 HIS 119 HE2 HIS 119 2.408 21.654 4.440 928 H HIS 120 H HIS 120 7.694 26.502 2.427 929 HA HIS 120 HA HIS 120 8.307 27.686 4.216 930 HB2 HIS 120 2HB HIS 120 5.910 28.346 4.319 931 HB3 HIS 120 3HB HIS 120 5.570 26.947 5.333 932 HD1 HIS 120 HD1 HIS 120 6.554 27.004 7.784 933 HD2 HIS 120 HD2 HIS 120 6.918 30.577 5.688 934 HE1 HIS 120 HE1 HIS 120 7.145 28.740 9.505 935 HE2 HIS 120 HE2 HIS 120 7.179 30.906 8.238 Start of MODEL 5 1 H1 MET 1 1H MET 1 5.499 -19.636 -5.042 2 H2 MET 1 2H MET 1 6.173 -19.148 -3.575 3 H3 MET 1 3H MET 1 7.168 -19.385 -4.917 4 HA MET 1 HA MET 1 6.138 -17.557 -6.061 5 HB2 MET 1 2HB MET 1 3.903 -17.921 -4.818 6 HB3 MET 1 3HB MET 1 4.606 -17.048 -3.468 7 HG2 MET 1 2HG MET 1 4.153 -15.919 -6.238 8 HG3 MET 1 3HG MET 1 3.124 -15.641 -4.834 9 HE1 MET 1 1HE MET 1 3.225 -13.031 -5.005 10 HE2 MET 1 2HE MET 1 4.130 -13.212 -6.512 11 HE3 MET 1 3HE MET 1 4.715 -12.123 -5.254 12 H GLN 2 H GLN 2 8.276 -16.931 -5.996 13 HA GLN 2 HA GLN 2 9.459 -15.893 -3.488 14 HB2 GLN 2 2HB GLN 2 10.808 -16.814 -6.062 15 HB3 GLN 2 3HB GLN 2 11.651 -16.244 -4.624 16 HG2 GLN 2 2HG GLN 2 10.807 -18.156 -3.346 17 HG3 GLN 2 3HG GLN 2 9.900 -18.714 -4.757 18 HE21 GLN 2 1HE2 GLN 2 10.993 -20.695 -4.856 19 HE22 GLN 2 2HE2 GLN 2 12.647 -20.821 -5.345 20 H ASP 3 H ASP 3 7.650 -14.447 -5.510 21 HA ASP 3 HA ASP 3 9.428 -12.335 -6.522 22 HB2 ASP 3 2HB ASP 3 6.403 -12.640 -6.837 23 HB3 ASP 3 3HB ASP 3 7.406 -11.463 -7.671 24 H ILE 4 H ILE 4 9.044 -12.678 -3.657 25 HA ILE 4 HA ILE 4 7.013 -11.220 -2.442 26 HB ILE 4 HB ILE 4 9.796 -11.992 -1.429 27 HG12 ILE 4 2HG1 ILE 4 8.356 -13.912 -2.055 28 HG13 ILE 4 3HG1 ILE 4 8.621 -13.880 -0.318 29 HG21 ILE 4 1HG2 ILE 4 7.460 -10.973 0.227 30 HG22 ILE 4 2HG2 ILE 4 9.004 -10.158 -0.029 31 HG23 ILE 4 3HG2 ILE 4 8.948 -11.672 0.872 32 HD11 ILE 4 1HD1 ILE 4 6.107 -13.008 -1.755 33 HD12 ILE 4 2HD1 ILE 4 6.363 -12.939 -0.009 34 HD13 ILE 4 3HD1 ILE 4 6.342 -14.495 -0.836 35 H VAL 5 H VAL 5 10.280 -10.111 -3.366 36 HA VAL 5 HA VAL 5 10.253 -7.554 -2.180 37 HB VAL 5 HB VAL 5 11.716 -8.528 -4.686 38 HG11 VAL 5 1HG1 VAL 5 13.274 -6.630 -4.365 39 HG12 VAL 5 2HG1 VAL 5 12.266 -6.020 -3.052 40 HG13 VAL 5 3HG1 VAL 5 11.632 -6.070 -4.697 41 HG21 VAL 5 1HG2 VAL 5 12.697 -8.300 -1.814 42 HG22 VAL 5 2HG2 VAL 5 13.663 -8.825 -3.195 43 HG23 VAL 5 3HG2 VAL 5 12.296 -9.799 -2.652 44 H GLU 6 H GLU 6 9.386 -8.604 -5.483 45 HA GLU 6 HA GLU 6 8.522 -6.023 -6.384 46 HB2 GLU 6 2HB GLU 6 9.394 -7.685 -7.957 47 HB3 GLU 6 3HB GLU 6 8.105 -8.808 -7.547 48 HG2 GLU 6 2HG GLU 6 7.738 -7.719 -9.733 49 HG3 GLU 6 3HG GLU 6 6.446 -7.360 -8.587 50 H ALA 7 H ALA 7 6.984 -8.728 -4.816 51 HA ALA 7 HA ALA 7 4.268 -8.187 -5.449 52 HB1 ALA 7 1HB ALA 7 3.750 -9.746 -3.612 53 HB2 ALA 7 2HB ALA 7 5.434 -9.700 -3.076 54 HB3 ALA 7 3HB ALA 7 5.020 -10.393 -4.648 55 H ALA 8 H ALA 8 6.312 -7.458 -2.628 56 HA ALA 8 HA ALA 8 4.406 -6.009 -1.118 57 HB1 ALA 8 1HB ALA 8 6.355 -5.251 0.175 58 HB2 ALA 8 2HB ALA 8 7.440 -5.848 -1.085 59 HB3 ALA 8 3HB ALA 8 6.446 -6.978 -0.161 60 H LYS 9 H LYS 9 6.823 -5.039 -3.491 61 HA LYS 9 HA LYS 9 6.691 -2.250 -3.312 62 HB2 LYS 9 2HB LYS 9 8.497 -3.276 -4.492 63 HB3 LYS 9 3HB LYS 9 7.409 -4.177 -5.539 64 HG2 LYS 9 2HG LYS 9 6.715 -1.964 -6.570 65 HG3 LYS 9 3HG LYS 9 8.019 -1.204 -5.648 66 HD2 LYS 9 2HD LYS 9 9.703 -2.445 -6.817 67 HD3 LYS 9 3HD LYS 9 8.517 -3.562 -7.499 68 HE2 LYS 9 2HE LYS 9 7.565 -1.610 -8.799 69 HE3 LYS 9 3HE LYS 9 8.940 -0.650 -8.244 70 HZ1 LYS 9 1HZ LYS 9 10.431 -2.211 -9.311 71 HZ2 LYS 9 2HZ LYS 9 9.318 -1.619 -10.432 72 HZ3 LYS 9 3HZ LYS 9 9.129 -3.177 -9.802 73 H GLN 10 H GLN 10 5.040 -4.372 -5.698 74 HA GLN 10 HA GLN 10 3.420 -2.331 -6.833 75 HB2 GLN 10 2HB GLN 10 2.275 -4.111 -8.035 76 HB3 GLN 10 3HB GLN 10 4.002 -4.452 -8.018 77 HG2 GLN 10 2HG GLN 10 3.674 -6.101 -6.224 78 HG3 GLN 10 3HG GLN 10 1.949 -5.745 -6.198 79 HE21 GLN 10 1HE2 GLN 10 0.643 -6.469 -7.922 80 HE22 GLN 10 2HE2 GLN 10 1.167 -7.721 -8.992 81 H ALA 11 H ALA 11 3.030 -4.465 -4.100 82 HA ALA 11 HA ALA 11 0.229 -4.300 -3.721 83 HB1 ALA 11 1HB ALA 11 2.398 -4.796 -1.654 84 HB2 ALA 11 2HB ALA 11 1.592 -6.021 -2.633 85 HB3 ALA 11 3HB ALA 11 0.666 -5.104 -1.447 86 H ALA 12 H ALA 12 2.965 -2.453 -2.387 87 HA ALA 12 HA ALA 12 1.600 -0.781 -0.632 88 HB1 ALA 12 1HB ALA 12 4.049 -0.932 -0.699 89 HB2 ALA 12 2HB ALA 12 3.524 0.747 -0.840 90 HB3 ALA 12 3HB ALA 12 4.074 -0.132 -2.271 91 H ILE 13 H ILE 13 2.443 -0.269 -4.045 92 HA ILE 13 HA ILE 13 1.315 2.290 -4.395 93 HB ILE 13 HB ILE 13 1.666 0.151 -6.557 94 HG12 ILE 13 2HG1 ILE 13 3.741 2.208 -5.642 95 HG13 ILE 13 3HG1 ILE 13 3.769 0.506 -5.199 96 HG21 ILE 13 1HG2 ILE 13 1.676 3.185 -6.788 97 HG22 ILE 13 2HG2 ILE 13 0.341 2.131 -7.256 98 HG23 ILE 13 3HG2 ILE 13 1.880 2.039 -8.116 99 HD11 ILE 13 1HD1 ILE 13 5.328 0.981 -6.986 100 HD12 ILE 13 2HD1 ILE 13 4.022 1.589 -8.003 101 HD13 ILE 13 3HD1 ILE 13 4.062 -0.115 -7.535 102 H ALA 14 H ALA 14 -0.004 -0.984 -4.898 103 HA ALA 14 HA ALA 14 -2.492 -0.266 -6.070 104 HB1 ALA 14 1HB ALA 14 -3.152 -2.588 -5.619 105 HB2 ALA 14 2HB ALA 14 -1.752 -2.791 -4.560 106 HB3 ALA 14 3HB ALA 14 -1.522 -2.510 -6.286 107 H ILE 15 H ILE 15 -1.446 -0.691 -2.736 108 HA ILE 15 HA ILE 15 -3.958 -0.572 -1.436 109 HB ILE 15 HB ILE 15 -1.100 -0.024 -0.533 110 HG12 ILE 15 2HG1 ILE 15 -3.121 -2.169 0.276 111 HG13 ILE 15 3HG1 ILE 15 -1.826 -2.388 -0.891 112 HG21 ILE 15 1HG2 ILE 15 -3.523 0.237 1.270 113 HG22 ILE 15 2HG2 ILE 15 -2.441 1.543 0.788 114 HG23 ILE 15 3HG2 ILE 15 -1.841 0.231 1.803 115 HD11 ILE 15 1HD1 ILE 15 -1.509 -1.902 2.068 116 HD12 ILE 15 2HD1 ILE 15 -0.181 -2.026 0.911 117 HD13 ILE 15 3HD1 ILE 15 -1.237 -3.409 1.191 118 H PHE 16 H PHE 16 -1.634 1.955 -2.450 119 HA PHE 16 HA PHE 16 -3.198 4.166 -1.499 120 HB2 PHE 16 2HB PHE 16 -1.041 4.138 -3.647 121 HB3 PHE 16 3HB PHE 16 -1.721 5.584 -2.908 122 HD1 PHE 16 HD1 PHE 16 -1.644 5.515 -0.190 123 HD2 PHE 16 HD2 PHE 16 1.005 3.448 -2.826 124 HE1 PHE 16 HE1 PHE 16 0.075 5.448 1.573 125 HE2 PHE 16 HE2 PHE 16 2.696 3.374 -1.069 126 HZ PHE 16 HZ PHE 16 2.250 4.377 1.127 127 H GLN 17 H GLN 17 -3.127 2.340 -4.504 128 HA GLN 17 HA GLN 17 -4.656 4.123 -6.101 129 HB2 GLN 17 2HB GLN 17 -4.254 1.117 -6.350 130 HB3 GLN 17 3HB GLN 17 -5.137 2.080 -7.533 131 HG2 GLN 17 2HG GLN 17 -3.021 3.473 -7.811 132 HG3 GLN 17 3HG GLN 17 -2.197 2.255 -6.837 133 HE21 GLN 17 1HE2 GLN 17 -0.831 1.662 -8.553 134 HE22 GLN 17 2HE2 GLN 17 -1.399 0.799 -9.933 135 H LEU 18 H LEU 18 -5.526 1.473 -3.925 136 HA LEU 18 HA LEU 18 -8.351 1.780 -4.232 137 HB2 LEU 18 2HB LEU 18 -6.689 0.504 -2.025 138 HB3 LEU 18 3HB LEU 18 -8.448 0.528 -2.001 139 HG LEU 18 HG LEU 18 -6.733 -0.833 -4.119 140 HD11 LEU 18 1HD1 LEU 18 -7.551 -2.940 -3.189 141 HD12 LEU 18 2HD1 LEU 18 -8.423 -2.068 -1.925 142 HD13 LEU 18 3HD1 LEU 18 -6.659 -2.017 -1.981 143 HD21 LEU 18 1HD2 LEU 18 -8.822 -0.008 -5.096 144 HD22 LEU 18 2HD2 LEU 18 -9.759 -0.808 -3.832 145 HD23 LEU 18 3HD2 LEU 18 -8.833 -1.768 -4.990 146 H TRP 19 H TRP 19 -5.928 3.161 -1.997 147 HA TRP 19 HA TRP 19 -7.706 4.424 -0.210 148 HB2 TRP 19 2HB TRP 19 -4.788 4.896 -0.850 149 HB3 TRP 19 3HB TRP 19 -5.637 5.944 0.276 150 HD1 TRP 19 HD1 TRP 19 -6.953 2.536 0.804 151 HE1 TRP 19 HE1 TRP 19 -5.804 1.418 2.809 152 HE3 TRP 19 HE3 TRP 19 -3.059 5.797 1.460 153 HZ2 TRP 19 HZ2 TRP 19 -3.571 1.850 4.460 154 HZ3 TRP 19 HZ3 TRP 19 -1.464 5.375 3.286 155 HH2 TRP 19 HH2 TRP 19 -1.717 3.440 4.758 156 H LYS 20 H LYS 20 -6.605 5.473 -3.363 157 HA LYS 20 HA LYS 20 -7.948 8.089 -3.038 158 HB2 LYS 20 2HB LYS 20 -6.893 8.732 -5.154 159 HB3 LYS 20 3HB LYS 20 -5.681 8.134 -4.025 160 HG2 LYS 20 2HG LYS 20 -5.665 5.953 -5.204 161 HG3 LYS 20 3HG LYS 20 -6.855 6.576 -6.353 162 HD2 LYS 20 2HD LYS 20 -5.222 8.321 -7.077 163 HD3 LYS 20 3HD LYS 20 -4.036 7.667 -5.942 164 HE2 LYS 20 2HE LYS 20 -3.987 5.547 -7.167 165 HE3 LYS 20 3HE LYS 20 -5.249 6.124 -8.260 166 HZ1 LYS 20 1HZ LYS 20 -3.096 6.347 -9.281 167 HZ2 LYS 20 2HZ LYS 20 -2.519 7.260 -7.989 168 HZ3 LYS 20 3HZ LYS 20 -3.727 7.884 -8.989 169 H ASN 21 H ASN 21 -8.421 4.944 -4.409 170 HA ASN 21 HA ASN 21 -11.044 5.660 -5.440 171 HB2 ASN 21 2HB ASN 21 -9.546 6.128 -7.385 172 HB3 ASN 21 3HB ASN 21 -8.929 4.478 -7.312 173 HD21 ASN 21 1HD2 ASN 21 -10.304 2.772 -7.989 174 HD22 ASN 21 2HD2 ASN 21 -11.723 3.056 -8.930 175 HA PRO 22 HA PRO 22 -10.845 1.583 -3.184 176 HB2 PRO 22 2HB PRO 22 -13.505 1.603 -2.369 177 HB3 PRO 22 3HB PRO 22 -12.204 2.450 -1.510 178 HG2 PRO 22 2HG PRO 22 -14.167 3.559 -3.494 179 HG3 PRO 22 3HG PRO 22 -13.655 4.230 -1.928 180 HD2 PRO 22 2HD PRO 22 -12.618 5.166 -4.225 181 HD3 PRO 22 3HD PRO 22 -11.604 4.994 -2.771 182 H THR 23 H THR 23 -12.799 2.636 -5.811 183 HA THR 23 HA THR 23 -14.156 0.130 -6.318 184 HB THR 23 HB THR 23 -15.030 1.389 -8.337 185 HG1 THR 23 HG1 THR 23 -14.505 3.619 -8.462 186 HG21 THR 23 1HG2 THR 23 -15.332 2.841 -5.672 187 HG22 THR 23 2HG2 THR 23 -16.294 1.463 -6.211 188 HG23 THR 23 3HG2 THR 23 -16.412 3.003 -7.060 189 H ASP 24 H ASP 24 -11.006 0.772 -6.689 190 HA ASP 24 HA ASP 24 -10.533 0.159 -9.462 191 HB2 ASP 24 2HB ASP 24 -8.966 1.511 -7.926 192 HB3 ASP 24 3HB ASP 24 -8.473 -0.022 -7.213 193 HA PRO 25 HA PRO 25 -11.309 -4.236 -8.537 194 HB2 PRO 25 2HB PRO 25 -11.394 -5.170 -11.112 195 HB3 PRO 25 3HB PRO 25 -12.715 -4.225 -10.393 196 HG2 PRO 25 2HG PRO 25 -10.527 -3.296 -12.224 197 HG3 PRO 25 3HG PRO 25 -12.267 -2.923 -12.268 198 HD2 PRO 25 2HD PRO 25 -10.430 -1.209 -11.197 199 HD3 PRO 25 3HD PRO 25 -12.104 -1.309 -10.609 200 H GLU 26 H GLU 26 -8.624 -3.046 -10.482 201 HA GLU 26 HA GLU 26 -7.258 -5.560 -10.761 202 HB2 GLU 26 2HB GLU 26 -6.190 -2.724 -11.166 203 HB3 GLU 26 3HB GLU 26 -5.432 -4.211 -11.731 204 HG2 GLU 26 2HG GLU 26 -7.379 -4.631 -13.206 205 HG3 GLU 26 3HG GLU 26 -8.102 -3.121 -12.655 206 H ALA 27 H ALA 27 -6.989 -2.756 -8.627 207 HA ALA 27 HA ALA 27 -4.533 -3.355 -7.379 208 HB1 ALA 27 1HB ALA 27 -5.542 -1.113 -7.364 209 HB2 ALA 27 2HB ALA 27 -5.203 -1.660 -5.722 210 HB3 ALA 27 3HB ALA 27 -6.857 -1.696 -6.342 211 H GLN 28 H GLN 28 -7.890 -3.827 -6.264 212 HA GLN 28 HA GLN 28 -7.229 -5.217 -3.876 213 HB2 GLN 28 2HB GLN 28 -9.644 -5.772 -3.762 214 HB3 GLN 28 3HB GLN 28 -9.360 -4.070 -4.107 215 HG2 GLN 28 2HG GLN 28 -9.795 -4.538 -6.525 216 HG3 GLN 28 3HG GLN 28 -10.215 -6.194 -6.093 217 HE21 GLN 28 1HE2 GLN 28 -11.209 -2.839 -5.911 218 HE22 GLN 28 2HE2 GLN 28 -12.849 -3.157 -5.463 219 H GLU 29 H GLU 29 -7.667 -6.301 -7.189 220 HA GLU 29 HA GLU 29 -8.114 -9.073 -6.697 221 HB2 GLU 29 2HB GLU 29 -8.647 -8.102 -8.884 222 HB3 GLU 29 3HB GLU 29 -6.959 -7.680 -9.157 223 HG2 GLU 29 2HG GLU 29 -6.399 -10.129 -9.113 224 HG3 GLU 29 3HG GLU 29 -8.120 -10.477 -8.963 225 H LEU 30 H LEU 30 -5.137 -7.260 -7.577 226 HA LEU 30 HA LEU 30 -3.444 -9.544 -7.429 227 HB2 LEU 30 2HB LEU 30 -1.560 -8.006 -7.667 228 HB3 LEU 30 3HB LEU 30 -2.828 -7.659 -8.818 229 HG LEU 30 HG LEU 30 -3.505 -5.765 -7.055 230 HD11 LEU 30 1HD1 LEU 30 -1.557 -4.743 -5.941 231 HD12 LEU 30 2HD1 LEU 30 -0.564 -6.124 -6.406 232 HD13 LEU 30 3HD1 LEU 30 -1.924 -6.343 -5.302 233 HD21 LEU 30 1HD2 LEU 30 -2.857 -5.284 -9.358 234 HD22 LEU 30 2HD2 LEU 30 -1.149 -5.441 -8.944 235 HD23 LEU 30 3HD2 LEU 30 -2.109 -4.129 -8.255 236 H LEU 31 H LEU 31 -4.496 -7.159 -5.091 237 HA LEU 31 HA LEU 31 -2.729 -7.851 -2.966 238 HB2 LEU 31 2HB LEU 31 -5.407 -6.421 -3.001 239 HB3 LEU 31 3HB LEU 31 -4.540 -6.723 -1.501 240 HG LEU 31 HG LEU 31 -3.513 -5.041 -3.821 241 HD11 LEU 31 1HD1 LEU 31 -4.468 -4.178 -1.073 242 HD12 LEU 31 2HD1 LEU 31 -5.332 -3.940 -2.594 243 HD13 LEU 31 3HD1 LEU 31 -3.791 -3.129 -2.324 244 HD21 LEU 31 1HD2 LEU 31 -1.662 -6.159 -2.704 245 HD22 LEU 31 2HD2 LEU 31 -2.241 -5.616 -1.127 246 HD23 LEU 31 3HD2 LEU 31 -1.659 -4.440 -2.308 247 H ASN 32 H ASN 32 -5.430 -9.559 -4.225 248 HA ASN 32 HA ASN 32 -5.841 -11.146 -1.788 249 HB2 ASN 32 2HB ASN 32 -7.603 -10.564 -3.636 250 HB3 ASN 32 3HB ASN 32 -6.864 -11.857 -4.564 251 HD21 ASN 32 1HD2 ASN 32 -9.567 -11.624 -3.549 252 HD22 ASN 32 2HD2 ASN 32 -9.842 -12.990 -2.539 253 H LYS 33 H LYS 33 -3.924 -11.171 -4.654 254 HA LYS 33 HA LYS 33 -3.263 -14.009 -4.630 255 HB2 LYS 33 2HB LYS 33 -2.221 -11.709 -6.351 256 HB3 LYS 33 3HB LYS 33 -1.941 -13.425 -6.648 257 HG2 LYS 33 2HG LYS 33 -4.276 -13.809 -7.140 258 HG3 LYS 33 3HG LYS 33 -4.713 -12.191 -6.584 259 HD2 LYS 33 2HD LYS 33 -4.727 -12.276 -9.031 260 HD3 LYS 33 3HD LYS 33 -3.452 -11.196 -8.466 261 HE2 LYS 33 2HE LYS 33 -1.787 -13.003 -8.843 262 HE3 LYS 33 3HE LYS 33 -3.081 -14.048 -9.441 263 HZ1 LYS 33 1HZ LYS 33 -2.376 -11.427 -10.648 264 HZ2 LYS 33 2HZ LYS 33 -3.447 -12.580 -11.266 265 HZ3 LYS 33 3HZ LYS 33 -1.792 -12.914 -11.201 266 H ILE 34 H ILE 34 -1.868 -10.962 -3.544 267 HA ILE 34 HA ILE 34 0.668 -12.340 -2.813 268 HB ILE 34 HB ILE 34 1.869 -10.211 -3.075 269 HG12 ILE 34 2HG1 ILE 34 -0.838 -9.082 -3.924 270 HG13 ILE 34 3HG1 ILE 34 0.149 -8.569 -2.572 271 HG21 ILE 34 1HG2 ILE 34 1.735 -11.744 -5.005 272 HG22 ILE 34 2HG2 ILE 34 1.827 -10.066 -5.535 273 HG23 ILE 34 3HG2 ILE 34 0.281 -10.917 -5.574 274 HD11 ILE 34 1HD1 ILE 34 1.819 -7.703 -4.126 275 HD12 ILE 34 2HD1 ILE 34 0.238 -6.961 -4.352 276 HD13 ILE 34 3HD1 ILE 34 0.804 -8.189 -5.486 277 H LEU 35 H LEU 35 -1.811 -10.042 -1.745 278 HA LEU 35 HA LEU 35 -0.801 -10.242 1.046 279 HB2 LEU 35 2HB LEU 35 -2.326 -8.076 -0.419 280 HB3 LEU 35 3HB LEU 35 -2.652 -8.292 1.286 281 HG LEU 35 HG LEU 35 -0.997 -6.470 0.754 282 HD11 LEU 35 1HD1 LEU 35 0.602 -7.020 2.555 283 HD12 LEU 35 2HD1 LEU 35 0.015 -8.685 2.558 284 HD13 LEU 35 3HD1 LEU 35 -1.066 -7.366 2.998 285 HD21 LEU 35 1HD2 LEU 35 1.312 -7.034 0.175 286 HD22 LEU 35 2HD2 LEU 35 0.202 -7.561 -1.087 287 HD23 LEU 35 3HD2 LEU 35 0.877 -8.742 0.036 288 H SER 36 H SER 36 -2.825 -10.026 2.622 289 HA SER 36 HA SER 36 -4.485 -12.330 2.210 290 HB2 SER 36 2HB SER 36 -4.632 -10.202 4.390 291 HB3 SER 36 3HB SER 36 -5.401 -11.791 4.434 292 HG SER 36 HG SER 36 -3.178 -11.330 5.451 293 HA PRO 37 HA PRO 37 -8.307 -10.349 0.586 294 HB2 PRO 37 2HB PRO 37 -9.699 -12.244 2.476 295 HB3 PRO 37 3HB PRO 37 -9.966 -11.984 0.736 296 HG2 PRO 37 2HG PRO 37 -8.700 -14.165 1.548 297 HG3 PRO 37 3HG PRO 37 -8.127 -13.286 0.110 298 HD2 PRO 37 2HD PRO 37 -6.998 -13.250 2.912 299 HD3 PRO 37 3HD PRO 37 -6.148 -13.334 1.348 300 H ASP 38 H ASP 38 -7.550 -10.768 3.942 301 HA ASP 38 HA ASP 38 -9.408 -9.002 5.138 302 HB2 ASP 38 2HB ASP 38 -6.628 -9.853 6.086 303 HB3 ASP 38 3HB ASP 38 -7.847 -9.079 7.089 304 H VAL 39 H VAL 39 -6.150 -8.549 3.786 305 HA VAL 39 HA VAL 39 -5.669 -5.926 4.754 306 HB VAL 39 HB VAL 39 -4.432 -7.369 2.362 307 HG11 VAL 39 1HG1 VAL 39 -4.120 -4.943 2.095 308 HG12 VAL 39 2HG1 VAL 39 -2.584 -5.711 2.497 309 HG13 VAL 39 3HG1 VAL 39 -3.475 -4.822 3.735 310 HG21 VAL 39 1HG2 VAL 39 -3.362 -7.000 5.187 311 HG22 VAL 39 2HG2 VAL 39 -2.554 -7.857 3.873 312 HG23 VAL 39 3HG2 VAL 39 -4.054 -8.488 4.543 313 H LEU 40 H LEU 40 -6.609 -7.051 1.471 314 HA LEU 40 HA LEU 40 -6.882 -4.520 0.295 315 HB2 LEU 40 2HB LEU 40 -8.191 -5.666 -1.478 316 HB3 LEU 40 3HB LEU 40 -6.701 -6.490 -1.061 317 HG LEU 40 HG LEU 40 -8.324 -7.947 0.506 318 HD11 LEU 40 1HD1 LEU 40 -10.392 -6.730 0.047 319 HD12 LEU 40 2HD1 LEU 40 -10.497 -8.407 -0.472 320 HD13 LEU 40 3HD1 LEU 40 -10.265 -7.130 -1.669 321 HD21 LEU 40 1HD2 LEU 40 -6.913 -8.838 -1.258 322 HD22 LEU 40 2HD2 LEU 40 -8.138 -8.426 -2.461 323 HD23 LEU 40 3HD2 LEU 40 -8.488 -9.624 -1.213 324 H ASP 41 H ASP 41 -9.037 -6.224 2.384 325 HA ASP 41 HA ASP 41 -11.447 -4.838 1.633 326 HB2 ASP 41 2HB ASP 41 -11.439 -7.215 2.412 327 HB3 ASP 41 3HB ASP 41 -10.936 -6.678 4.014 328 H GLN 42 H GLN 42 -9.154 -4.730 4.398 329 HA GLN 42 HA GLN 42 -10.542 -2.581 5.722 330 HB2 GLN 42 2HB GLN 42 -8.675 -2.493 7.265 331 HB3 GLN 42 3HB GLN 42 -9.091 -4.173 6.971 332 HG2 GLN 42 2HG GLN 42 -7.156 -4.349 5.409 333 HG3 GLN 42 3HG GLN 42 -6.741 -2.676 5.781 334 HE21 GLN 42 1HE2 GLN 42 -4.725 -3.181 6.630 335 HE22 GLN 42 2HE2 GLN 42 -4.515 -4.022 8.125 336 H VAL 43 H VAL 43 -8.117 -2.816 3.263 337 HA VAL 43 HA VAL 43 -7.184 -0.108 3.307 338 HB VAL 43 HB VAL 43 -6.908 -2.414 1.333 339 HG11 VAL 43 1HG1 VAL 43 -5.735 0.352 0.910 340 HG12 VAL 43 2HG1 VAL 43 -7.002 -0.391 -0.064 341 HG13 VAL 43 3HG1 VAL 43 -5.381 -1.085 -0.054 342 HG21 VAL 43 1HG2 VAL 43 -4.522 -2.305 1.958 343 HG22 VAL 43 2HG2 VAL 43 -5.537 -2.493 3.390 344 HG23 VAL 43 3HG2 VAL 43 -4.849 -0.915 3.000 345 H ARG 44 H ARG 44 -9.710 -1.856 1.463 346 HA ARG 44 HA ARG 44 -10.310 0.316 -0.290 347 HB2 ARG 44 2HB ARG 44 -12.210 -0.915 -1.065 348 HB3 ARG 44 3HB ARG 44 -10.932 -2.086 -0.772 349 HG2 ARG 44 2HG ARG 44 -11.992 -2.808 1.299 350 HG3 ARG 44 3HG ARG 44 -13.217 -1.548 1.158 351 HD2 ARG 44 2HD ARG 44 -14.124 -3.718 0.507 352 HD3 ARG 44 3HD ARG 44 -14.090 -2.624 -0.876 353 HE ARG 44 HE ARG 44 -11.748 -4.045 -1.037 354 HH11 ARG 44 1HH1 ARG 44 -15.171 -4.942 -0.976 355 HH12 ARG 44 2HH1 ARG 44 -14.926 -6.369 -1.933 356 HH21 ARG 44 1HH2 ARG 44 -11.473 -5.893 -2.311 357 HH22 ARG 44 2HH2 ARG 44 -12.831 -6.901 -2.685 358 H GLU 45 H GLU 45 -11.455 -0.570 2.931 359 HA GLU 45 HA GLU 45 -13.542 1.464 2.956 360 HB2 GLU 45 2HB GLU 45 -12.529 -0.383 5.158 361 HB3 GLU 45 3HB GLU 45 -13.870 0.748 5.341 362 HG2 GLU 45 2HG GLU 45 -15.017 -0.453 3.407 363 HG3 GLU 45 3HG GLU 45 -13.747 -1.671 3.512 364 H HIS 46 H HIS 46 -10.201 1.154 3.990 365 HA HIS 46 HA HIS 46 -10.002 3.526 5.545 366 HB2 HIS 46 2HB HIS 46 -8.233 1.754 5.504 367 HB3 HIS 46 3HB HIS 46 -7.830 2.200 3.851 368 HD1 HIS 46 HD1 HIS 46 -6.605 4.509 3.528 369 HD2 HIS 46 HD2 HIS 46 -7.149 3.379 7.483 370 HE1 HIS 46 HE1 HIS 46 -5.084 5.984 4.871 371 HE2 HIS 46 HE2 HIS 46 -5.509 5.357 7.258 372 H ALA 47 H ALA 47 -10.081 2.882 2.148 373 HA ALA 47 HA ALA 47 -9.162 5.265 1.021 374 HB1 ALA 47 1HB ALA 47 -10.474 4.597 -0.931 375 HB2 ALA 47 2HB ALA 47 -11.375 3.441 0.053 376 HB3 ALA 47 3HB ALA 47 -9.650 3.206 -0.229 377 H ARG 48 H ARG 48 -12.361 4.350 2.253 378 HA ARG 48 HA ARG 48 -13.783 6.623 1.344 379 HB2 ARG 48 2HB ARG 48 -14.354 4.538 3.465 380 HB3 ARG 48 3HB ARG 48 -15.405 5.941 3.307 381 HG2 ARG 48 2HG ARG 48 -16.406 4.151 2.086 382 HG3 ARG 48 3HG ARG 48 -15.806 5.320 0.912 383 HD2 ARG 48 2HD ARG 48 -13.857 3.884 0.473 384 HD3 ARG 48 3HD ARG 48 -14.418 2.730 1.687 385 HE ARG 48 HE ARG 48 -15.985 3.358 -0.750 386 HH11 ARG 48 1HH1 ARG 48 -14.515 0.973 1.378 387 HH12 ARG 48 2HH1 ARG 48 -15.212 -0.374 0.538 388 HH21 ARG 48 1HH2 ARG 48 -16.865 1.588 -1.853 389 HH22 ARG 48 2HH2 ARG 48 -16.542 -0.029 -1.295 390 H GLU 49 H GLU 49 -11.874 6.034 4.236 391 HA GLU 49 HA GLU 49 -12.677 8.229 5.818 392 HB2 GLU 49 2HB GLU 49 -9.925 6.902 5.700 393 HB3 GLU 49 3HB GLU 49 -10.513 7.933 7.000 394 HG2 GLU 49 2HG GLU 49 -12.269 6.266 7.524 395 HG3 GLU 49 3HG GLU 49 -11.656 5.236 6.230 396 H LEU 50 H LEU 50 -10.192 7.891 3.339 397 HA LEU 50 HA LEU 50 -9.089 10.548 3.612 398 HB2 LEU 50 2HB LEU 50 -8.684 8.400 1.490 399 HB3 LEU 50 3HB LEU 50 -7.680 9.834 1.688 400 HG LEU 50 HG LEU 50 -7.995 7.736 3.869 401 HD11 LEU 50 1HD1 LEU 50 -5.816 6.838 3.190 402 HD12 LEU 50 2HD1 LEU 50 -5.820 7.898 1.781 403 HD13 LEU 50 3HD1 LEU 50 -7.038 6.635 1.938 404 HD21 LEU 50 1HD2 LEU 50 -7.261 9.947 4.645 405 HD22 LEU 50 2HD2 LEU 50 -5.918 9.916 3.498 406 HD23 LEU 50 3HD2 LEU 50 -5.984 8.744 4.816 407 H GLN 51 H GLN 51 -11.348 8.912 1.462 408 HA GLN 51 HA GLN 51 -11.546 10.990 -0.517 409 HB2 GLN 51 2HB GLN 51 -12.004 8.562 -0.964 410 HB3 GLN 51 3HB GLN 51 -13.436 8.654 0.055 411 HG2 GLN 51 2HG GLN 51 -14.463 10.249 -1.499 412 HG3 GLN 51 3HG GLN 51 -13.004 10.235 -2.493 413 HE21 GLN 51 1HE2 GLN 51 -12.532 8.352 -3.728 414 HE22 GLN 51 2HE2 GLN 51 -13.757 7.186 -4.092 415 H LYS 52 H LYS 52 -13.222 10.149 2.446 416 HA LYS 52 HA LYS 52 -15.435 11.905 2.407 417 HB2 LYS 52 2HB LYS 52 -15.102 10.046 4.029 418 HB3 LYS 52 3HB LYS 52 -13.750 10.905 4.756 419 HG2 LYS 52 2HG LYS 52 -15.314 12.683 5.514 420 HG3 LYS 52 3HG LYS 52 -16.658 11.787 4.792 421 HD2 LYS 52 2HD LYS 52 -16.170 9.860 6.304 422 HD3 LYS 52 3HD LYS 52 -14.854 10.784 7.035 423 HE2 LYS 52 2HE LYS 52 -17.781 11.583 7.087 424 HE3 LYS 52 3HE LYS 52 -16.915 10.800 8.407 425 HZ1 LYS 52 1HZ LYS 52 -17.123 13.249 8.624 426 HZ2 LYS 52 2HZ LYS 52 -16.135 13.419 7.266 427 HZ3 LYS 52 3HZ LYS 52 -15.529 12.696 8.661 428 H GLN 53 H GLN 53 -12.066 12.338 3.291 429 HA GLN 53 HA GLN 53 -12.322 15.126 4.105 430 HB2 GLN 53 2HB GLN 53 -9.844 13.396 3.681 431 HB3 GLN 53 3HB GLN 53 -9.882 14.972 4.469 432 HG2 GLN 53 2HG GLN 53 -11.197 14.088 6.312 433 HG3 GLN 53 3HG GLN 53 -11.356 12.532 5.493 434 HE21 GLN 53 1HE2 GLN 53 -9.524 11.157 5.374 435 HE22 GLN 53 2HE2 GLN 53 -8.179 11.353 6.435 436 H GLY 54 H GLY 54 -11.723 13.337 1.214 437 HA2 GLY 54 2HA GLY 54 -11.568 14.029 -0.973 438 HA3 GLY 54 3HA GLY 54 -11.578 15.699 -0.429 439 H ILE 55 H ILE 55 -9.256 13.530 0.958 440 HA ILE 55 HA ILE 55 -7.047 15.068 -0.111 441 HB ILE 55 HB ILE 55 -6.973 12.661 1.774 442 HG12 ILE 55 2HG1 ILE 55 -6.856 15.645 2.422 443 HG13 ILE 55 3HG1 ILE 55 -8.226 14.590 2.731 444 HG21 ILE 55 1HG2 ILE 55 -4.666 13.421 2.325 445 HG22 ILE 55 2HG2 ILE 55 -4.793 14.684 1.101 446 HG23 ILE 55 3HG2 ILE 55 -4.815 12.986 0.620 447 HD11 ILE 55 1HD1 ILE 55 -5.511 14.406 4.035 448 HD12 ILE 55 2HD1 ILE 55 -6.862 13.302 4.317 449 HD13 ILE 55 3HD1 ILE 55 -7.005 15.001 4.758 450 H HIS 56 H HIS 56 -6.802 14.579 -2.281 451 HA HIS 56 HA HIS 56 -6.256 11.808 -3.094 452 HB2 HIS 56 2HB HIS 56 -7.497 13.012 -4.771 453 HB3 HIS 56 3HB HIS 56 -6.446 14.420 -4.656 454 HD1 HIS 56 HD1 HIS 56 -4.903 14.600 -6.599 455 HD2 HIS 56 HD2 HIS 56 -5.753 10.644 -5.686 456 HE1 HIS 56 HE1 HIS 56 -3.571 13.230 -8.232 457 HE2 HIS 56 HE2 HIS 56 -3.998 10.846 -7.575 458 H PHE 57 H PHE 57 -4.268 11.118 -2.482 459 HA PHE 57 HA PHE 57 -1.919 12.829 -3.068 460 HB2 PHE 57 2HB PHE 57 -0.663 10.931 -1.804 461 HB3 PHE 57 3HB PHE 57 -1.625 12.065 -0.872 462 HD1 PHE 57 HD1 PHE 57 -1.763 8.642 -2.387 463 HD2 PHE 57 HD2 PHE 57 -3.287 11.293 0.609 464 HE1 PHE 57 HE1 PHE 57 -2.994 6.781 -1.361 465 HE2 PHE 57 HE2 PHE 57 -4.513 9.421 1.623 466 HZ PHE 57 HZ PHE 57 -4.364 7.173 0.632 467 H GLU 58 H GLU 58 -0.099 11.745 -4.129 468 HA GLU 58 HA GLU 58 -0.937 9.630 -5.999 469 HB2 GLU 58 2HB GLU 58 -1.127 12.028 -6.970 470 HB3 GLU 58 3HB GLU 58 0.632 12.062 -6.933 471 HG2 GLU 58 2HG GLU 58 -0.325 11.456 -9.162 472 HG3 GLU 58 3HG GLU 58 0.775 10.239 -8.506 473 H VAL 59 H VAL 59 0.545 8.132 -6.404 474 HA VAL 59 HA VAL 59 2.818 7.867 -4.691 475 HB VAL 59 HB VAL 59 1.965 6.149 -7.079 476 HG11 VAL 59 1HG1 VAL 59 3.870 5.472 -4.804 477 HG12 VAL 59 2HG1 VAL 59 4.303 5.722 -6.497 478 HG13 VAL 59 3HG1 VAL 59 3.304 4.341 -6.040 479 HG21 VAL 59 1HG2 VAL 59 1.337 5.740 -4.131 480 HG22 VAL 59 2HG2 VAL 59 0.877 4.665 -5.455 481 HG23 VAL 59 3HG2 VAL 59 0.194 6.288 -5.363 482 H LYS 60 H LYS 60 4.534 9.214 -5.091 483 HA LYS 60 HA LYS 60 5.290 9.897 -7.843 484 HB2 LYS 60 2HB LYS 60 6.325 10.925 -5.161 485 HB3 LYS 60 3HB LYS 60 6.882 11.500 -6.728 486 HG2 LYS 60 2HG LYS 60 4.073 11.782 -5.612 487 HG3 LYS 60 3HG LYS 60 5.274 13.062 -5.771 488 HD2 LYS 60 2HD LYS 60 3.888 11.579 -8.035 489 HD3 LYS 60 3HD LYS 60 3.634 13.256 -7.553 490 HE2 LYS 60 2HE LYS 60 6.196 12.119 -8.736 491 HE3 LYS 60 3HE LYS 60 5.023 13.128 -9.577 492 HZ1 LYS 60 1HZ LYS 60 5.523 14.920 -8.025 493 HZ2 LYS 60 2HZ LYS 60 6.903 14.425 -8.865 494 HZ3 LYS 60 3HZ LYS 60 6.680 13.953 -7.256 495 H ARG 61 H ARG 61 6.852 8.510 -4.942 496 HA ARG 61 HA ARG 61 9.053 7.463 -6.645 497 HB2 ARG 61 2HB ARG 61 9.812 9.596 -5.722 498 HB3 ARG 61 3HB ARG 61 9.271 9.164 -4.104 499 HG2 ARG 61 2HG ARG 61 11.010 7.488 -3.908 500 HG3 ARG 61 3HG ARG 61 11.498 7.725 -5.587 501 HD2 ARG 61 2HD ARG 61 12.292 9.975 -5.090 502 HD3 ARG 61 3HD ARG 61 11.658 9.873 -3.440 503 HE ARG 61 HE ARG 61 13.286 7.820 -3.392 504 HH11 ARG 61 1HH1 ARG 61 13.969 10.993 -4.760 505 HH12 ARG 61 2HH1 ARG 61 15.676 10.874 -4.443 506 HH21 ARG 61 1HH2 ARG 61 15.506 7.681 -2.996 507 HH22 ARG 61 2HH2 ARG 61 16.538 9.010 -3.450 508 H VAL 62 H VAL 62 9.374 5.363 -6.242 509 HA VAL 62 HA VAL 62 8.425 4.142 -3.697 510 HB VAL 62 HB VAL 62 8.508 2.785 -6.449 511 HG11 VAL 62 1HG1 VAL 62 8.774 1.196 -4.585 512 HG12 VAL 62 2HG1 VAL 62 7.208 0.976 -5.370 513 HG13 VAL 62 3HG1 VAL 62 7.308 1.819 -3.822 514 HG21 VAL 62 1HG2 VAL 62 6.783 4.540 -6.420 515 HG22 VAL 62 2HG2 VAL 62 6.084 3.844 -4.957 516 HG23 VAL 62 3HG2 VAL 62 6.052 2.934 -6.470 517 H GLU 63 H GLU 63 10.004 3.187 -2.543 518 HA GLU 63 HA GLU 63 12.427 2.123 -3.859 519 HB2 GLU 63 2HB GLU 63 12.330 3.822 -1.316 520 HB3 GLU 63 3HB GLU 63 13.766 2.993 -1.914 521 HG2 GLU 63 2HG GLU 63 13.737 4.390 -3.952 522 HG3 GLU 63 3HG GLU 63 12.279 5.195 -3.377 523 H VAL 64 H VAL 64 12.256 -0.011 -3.517 524 HA VAL 64 HA VAL 64 10.914 -1.051 -1.118 525 HB VAL 64 HB VAL 64 10.065 -1.931 -3.221 526 HG11 VAL 64 1HG1 VAL 64 12.857 -2.897 -3.907 527 HG12 VAL 64 2HG1 VAL 64 11.989 -1.582 -4.698 528 HG13 VAL 64 3HG1 VAL 64 11.388 -3.237 -4.830 529 HG21 VAL 64 1HG2 VAL 64 10.113 -3.500 -1.341 530 HG22 VAL 64 2HG2 VAL 64 11.709 -4.071 -1.837 531 HG23 VAL 64 3HG2 VAL 64 10.309 -4.354 -2.874 532 H THR 65 H THR 65 12.258 -1.266 0.556 533 HA THR 65 HA THR 65 14.983 -2.405 0.196 534 HB THR 65 HB THR 65 15.516 -1.370 2.438 535 HG1 THR 65 HG1 THR 65 12.896 -0.982 2.546 536 HG21 THR 65 1HG2 THR 65 15.692 0.971 1.678 537 HG22 THR 65 2HG2 THR 65 14.573 0.635 0.356 538 HG23 THR 65 3HG2 THR 65 16.156 -0.147 0.393 539 H THR 66 H THR 66 15.259 -4.416 0.968 540 HA THR 66 HA THR 66 13.199 -5.679 2.616 541 HB THR 66 HB THR 66 14.565 -7.772 2.223 542 HG1 THR 66 HG1 THR 66 16.593 -6.517 1.879 543 HG21 THR 66 1HG2 THR 66 14.047 -7.956 -0.196 544 HG22 THR 66 2HG2 THR 66 13.828 -6.206 -0.287 545 HG23 THR 66 3HG2 THR 66 12.726 -7.187 0.683 546 H ASP 67 H ASP 67 13.704 -6.775 4.548 547 HA ASP 67 HA ASP 67 16.193 -6.240 5.995 548 HB2 ASP 67 2HB ASP 67 14.795 -4.255 6.517 549 HB3 ASP 67 3HB ASP 67 13.454 -5.293 6.985 550 H GLY 68 H GLY 68 16.595 -8.401 6.086 551 HA2 GLY 68 2HA GLY 68 16.402 -10.636 6.519 552 HA3 GLY 68 3HA GLY 68 15.146 -10.228 7.683 553 H ASN 69 H ASN 69 13.234 -11.114 7.239 554 HA ASN 69 HA ASN 69 12.498 -11.948 4.508 555 HB2 ASN 69 2HB ASN 69 11.061 -12.436 7.169 556 HB3 ASN 69 3HB ASN 69 10.654 -13.175 5.622 557 HD21 ASN 69 1HD2 ASN 69 11.444 -14.331 8.233 558 HD22 ASN 69 2HD2 ASN 69 12.772 -15.378 7.878 559 H THR 70 H THR 70 12.051 -9.305 6.578 560 HA THR 70 HA THR 70 9.288 -8.696 5.805 561 HB THR 70 HB THR 70 11.126 -7.231 7.761 562 HG1 THR 70 HG1 THR 70 9.200 -9.287 8.163 563 HG21 THR 70 1HG2 THR 70 9.226 -5.856 6.957 564 HG22 THR 70 2HG2 THR 70 9.046 -6.284 8.659 565 HG23 THR 70 3HG2 THR 70 8.107 -7.136 7.433 566 H VAL 71 H VAL 71 8.884 -7.339 4.157 567 HA VAL 71 HA VAL 71 11.090 -5.782 2.959 568 HB VAL 71 HB VAL 71 8.381 -6.528 1.751 569 HG11 VAL 71 1HG1 VAL 71 10.867 -5.322 0.483 570 HG12 VAL 71 2HG1 VAL 71 9.334 -4.494 0.772 571 HG13 VAL 71 3HG1 VAL 71 9.412 -5.825 -0.383 572 HG21 VAL 71 1HG2 VAL 71 11.105 -7.804 1.312 573 HG22 VAL 71 2HG2 VAL 71 9.629 -8.205 0.429 574 HG23 VAL 71 3HG2 VAL 71 9.742 -8.536 2.160 575 H ASN 72 H ASN 72 11.168 -3.748 3.610 576 HA ASN 72 HA ASN 72 8.791 -2.179 4.377 577 HB2 ASN 72 2HB ASN 72 11.760 -1.421 4.520 578 HB3 ASN 72 3HB ASN 72 10.417 -0.562 5.272 579 HD21 ASN 72 1HD2 ASN 72 12.367 -3.473 5.383 580 HD22 ASN 72 2HD2 ASN 72 11.959 -3.922 7.001 581 H VAL 73 H VAL 73 7.806 -1.342 2.561 582 HA VAL 73 HA VAL 73 9.426 -0.270 0.357 583 HB VAL 73 HB VAL 73 6.383 -0.452 0.620 584 HG11 VAL 73 1HG1 VAL 73 8.102 0.279 -1.789 585 HG12 VAL 73 2HG1 VAL 73 7.020 1.361 -0.905 586 HG13 VAL 73 3HG1 VAL 73 6.356 0.013 -1.826 587 HG21 VAL 73 1HG2 VAL 73 7.444 -2.672 0.546 588 HG22 VAL 73 2HG2 VAL 73 8.321 -2.222 -0.918 589 HG23 VAL 73 3HG2 VAL 73 6.560 -2.353 -0.950 590 H THR 74 H THR 74 10.312 1.605 0.919 591 HA THR 74 HA THR 74 8.902 3.723 2.326 592 HB THR 74 HB THR 74 11.693 3.667 1.084 593 HG1 THR 74 HG1 THR 74 10.927 3.319 3.809 594 HG21 THR 74 1HG2 THR 74 10.889 5.976 1.453 595 HG22 THR 74 2HG2 THR 74 12.181 5.563 2.579 596 HG23 THR 74 3HG2 THR 74 10.506 5.579 3.132 597 H VAL 75 H VAL 75 7.473 4.809 1.131 598 HA VAL 75 HA VAL 75 8.057 5.576 -1.656 599 HB VAL 75 HB VAL 75 6.552 3.705 -1.825 600 HG11 VAL 75 1HG1 VAL 75 4.435 3.476 -0.679 601 HG12 VAL 75 2HG1 VAL 75 4.665 5.022 0.140 602 HG13 VAL 75 3HG1 VAL 75 5.734 3.663 0.500 603 HG21 VAL 75 1HG2 VAL 75 4.942 6.259 -2.188 604 HG22 VAL 75 2HG2 VAL 75 4.546 4.694 -2.903 605 HG23 VAL 75 3HG2 VAL 75 6.029 5.528 -3.370 606 H GLU 76 H GLU 76 7.901 7.692 -1.984 607 HA GLU 76 HA GLU 76 6.655 9.466 -0.003 608 HB2 GLU 76 2HB GLU 76 8.987 9.964 -0.715 609 HB3 GLU 76 3HB GLU 76 8.450 10.115 -2.388 610 HG2 GLU 76 2HG GLU 76 6.948 12.016 -1.655 611 HG3 GLU 76 3HG GLU 76 7.683 11.905 -0.059 612 H LEU 77 H LEU 77 4.745 10.348 -0.398 613 HA LEU 77 HA LEU 77 3.681 10.524 -3.154 614 HB2 LEU 77 2HB LEU 77 2.059 10.112 -0.600 615 HB3 LEU 77 3HB LEU 77 1.421 10.269 -2.229 616 HG LEU 77 HG LEU 77 2.948 8.114 -2.695 617 HD11 LEU 77 1HD1 LEU 77 2.403 7.823 0.270 618 HD12 LEU 77 2HD1 LEU 77 3.987 8.024 -0.484 619 HD13 LEU 77 3HD1 LEU 77 3.041 6.572 -0.803 620 HD21 LEU 77 1HD2 LEU 77 1.013 6.690 -2.276 621 HD22 LEU 77 2HD2 LEU 77 0.542 8.216 -3.020 622 HD23 LEU 77 3HD2 LEU 77 0.276 7.959 -1.293 623 H GLU 78 H GLU 78 2.324 12.335 -3.556 624 HA GLU 78 HA GLU 78 2.767 14.635 -1.726 625 HB2 GLU 78 2HB GLU 78 2.322 14.555 -4.733 626 HB3 GLU 78 3HB GLU 78 2.201 16.035 -3.787 627 HG2 GLU 78 2HG GLU 78 4.543 15.699 -3.005 628 HG3 GLU 78 3HG GLU 78 4.664 14.289 -4.055 629 H GLU 79 H GLU 79 1.105 14.862 -0.428 630 HA GLU 79 HA GLU 79 -1.567 13.964 -1.122 631 HB2 GLU 79 2HB GLU 79 -0.601 15.239 1.477 632 HB3 GLU 79 3HB GLU 79 -2.099 14.346 1.224 633 HG2 GLU 79 2HG GLU 79 -0.599 12.327 0.634 634 HG3 GLU 79 3HG GLU 79 0.729 13.269 1.315 635 H THR 80 H THR 80 -2.971 15.276 -2.059 636 HA THR 80 HA THR 80 -2.805 18.180 -1.912 637 HB THR 80 HB THR 80 -4.715 16.333 -3.446 638 HG1 THR 80 HG1 THR 80 -2.543 16.217 -4.191 639 HG21 THR 80 1HG2 THR 80 -5.731 18.558 -3.077 640 HG22 THR 80 2HG2 THR 80 -5.289 18.353 -4.773 641 HG23 THR 80 3HG2 THR 80 -4.284 19.340 -3.715 642 H THR 81 H THR 81 -3.523 18.873 0.016 643 HA THR 81 HA THR 81 -6.174 18.228 1.033 644 HB THR 81 HB THR 81 -4.923 16.457 2.082 645 HG1 THR 81 HG1 THR 81 -4.810 17.823 4.363 646 HG21 THR 81 1HG2 THR 81 -2.905 16.789 3.444 647 HG22 THR 81 2HG2 THR 81 -2.899 18.509 3.055 648 HG23 THR 81 3HG2 THR 81 -2.620 17.318 1.780 649 H GLY 82 H GLY 82 -7.091 20.032 1.819 650 HA2 GLY 82 2HA GLY 82 -7.404 22.146 2.667 651 HA3 GLY 82 3HA GLY 82 -5.864 21.958 3.484 652 H GLY 83 H GLY 83 -6.122 21.786 0.002 653 HA2 GLY 83 2HA GLY 83 -5.529 23.204 -1.708 654 HA3 GLY 83 3HA GLY 83 -5.511 24.541 -0.568 655 H THR 84 H THR 84 -3.570 21.884 0.378 656 HA THR 84 HA THR 84 -1.110 23.142 -0.716 657 HB THR 84 HB THR 84 0.109 22.461 1.334 658 HG1 THR 84 HG1 THR 84 -2.009 20.931 1.766 659 HG21 THR 84 1HG2 THR 84 -0.867 24.054 2.951 660 HG22 THR 84 2HG2 THR 84 -2.370 24.087 2.025 661 HG23 THR 84 3HG2 THR 84 -0.883 24.723 1.318 662 H THR 85 H THR 85 0.563 21.726 -1.335 663 HA THR 85 HA THR 85 -0.146 18.853 -1.569 664 HB THR 85 HB THR 85 1.710 20.413 -3.429 665 HG1 THR 85 HG1 THR 85 -0.326 21.297 -3.703 666 HG21 THR 85 1HG2 THR 85 0.296 17.739 -3.799 667 HG22 THR 85 2HG2 THR 85 2.018 17.947 -3.463 668 HG23 THR 85 3HG2 THR 85 1.339 18.532 -4.982 669 H THR 86 H THR 86 0.987 17.829 0.023 670 HA THR 86 HA THR 86 3.715 18.783 0.697 671 HB THR 86 HB THR 86 2.119 18.996 2.587 672 HG1 THR 86 HG1 THR 86 3.808 16.869 3.345 673 HG21 THR 86 1HG2 THR 86 1.233 16.996 3.728 674 HG22 THR 86 2HG2 THR 86 1.902 15.967 2.458 675 HG23 THR 86 3HG2 THR 86 0.601 17.101 2.080 676 H ASN 87 H ASN 87 5.394 17.405 0.623 677 HA ASN 87 HA ASN 87 5.131 14.720 -0.441 678 HB2 ASN 87 2HB ASN 87 7.502 16.309 0.602 679 HB3 ASN 87 3HB ASN 87 7.644 14.720 -0.153 680 HD21 ASN 87 1HD2 ASN 87 7.395 14.561 -2.400 681 HD22 ASN 87 2HD2 ASN 87 7.362 15.944 -3.438 682 H THR 88 H THR 88 4.186 13.334 1.036 683 HA THR 88 HA THR 88 5.391 13.090 3.735 684 HB THR 88 HB THR 88 2.609 12.177 2.868 685 HG1 THR 88 HG1 THR 88 1.865 14.034 3.738 686 HG21 THR 88 1HG2 THR 88 2.215 11.922 5.315 687 HG22 THR 88 2HG2 THR 88 3.898 12.350 5.633 688 HG23 THR 88 3HG2 THR 88 3.513 10.861 4.766 689 H THR 89 H THR 89 6.415 11.240 4.190 690 HA THR 89 HA THR 89 6.622 9.186 2.102 691 HB THR 89 HB THR 89 8.309 9.638 4.609 692 HG1 THR 89 HG1 THR 89 8.260 11.138 2.555 693 HG21 THR 89 1HG2 THR 89 8.417 7.284 3.844 694 HG22 THR 89 2HG2 THR 89 9.942 8.115 3.533 695 HG23 THR 89 3HG2 THR 89 8.812 7.829 2.210 696 H TYR 90 H TYR 90 5.343 7.446 2.309 697 HA TYR 90 HA TYR 90 4.596 6.380 4.966 698 HB2 TYR 90 2HB TYR 90 3.460 5.899 2.167 699 HB3 TYR 90 3HB TYR 90 2.998 4.940 3.570 700 HD1 TYR 90 HD1 TYR 90 3.025 8.463 2.275 701 HD2 TYR 90 HD2 TYR 90 1.264 5.677 5.001 702 HE1 TYR 90 HE1 TYR 90 1.307 10.119 2.858 703 HE2 TYR 90 HE2 TYR 90 -0.447 7.335 5.586 704 HH TYR 90 HH TYR 90 -0.870 10.269 3.836 705 H GLU 91 H GLU 91 5.579 4.569 5.635 706 HA GLU 91 HA GLU 91 7.087 2.891 3.719 707 HB2 GLU 91 2HB GLU 91 7.630 3.294 6.692 708 HB3 GLU 91 3HB GLU 91 8.551 2.262 5.599 709 HG2 GLU 91 2HG GLU 91 9.235 4.247 4.292 710 HG3 GLU 91 3HG GLU 91 8.319 5.277 5.394 711 H LEU 92 H LEU 92 5.769 1.279 3.253 712 HA LEU 92 HA LEU 92 3.966 0.147 5.255 713 HB2 LEU 92 2HB LEU 92 4.200 -0.337 2.258 714 HB3 LEU 92 3HB LEU 92 3.084 -1.194 3.310 715 HG LEU 92 HG LEU 92 2.051 1.075 3.908 716 HD11 LEU 92 1HD1 LEU 92 3.880 2.532 3.208 717 HD12 LEU 92 2HD1 LEU 92 2.384 2.947 2.380 718 HD13 LEU 92 3HD1 LEU 92 3.645 2.052 1.524 719 HD21 LEU 92 1HD2 LEU 92 0.966 -0.495 2.366 720 HD22 LEU 92 2HD2 LEU 92 1.841 0.219 1.011 721 HD23 LEU 92 3HD2 LEU 92 0.661 1.179 1.907 722 H ARG 93 H ARG 93 4.841 -1.281 6.515 723 HA ARG 93 HA ARG 93 7.164 -2.868 5.770 724 HB2 ARG 93 2HB ARG 93 6.992 -1.625 7.976 725 HB3 ARG 93 3HB ARG 93 5.654 -2.676 8.430 726 HG2 ARG 93 2HG ARG 93 7.181 -4.636 8.273 727 HG3 ARG 93 3HG ARG 93 8.505 -3.538 7.888 728 HD2 ARG 93 2HD ARG 93 7.964 -2.391 10.143 729 HD3 ARG 93 3HD ARG 93 6.998 -3.828 10.494 730 HE ARG 93 HE ARG 93 9.871 -3.971 9.815 731 HH11 ARG 93 1HH1 ARG 93 7.244 -4.889 11.962 732 HH12 ARG 93 2HH1 ARG 93 8.240 -5.928 12.932 733 HH21 ARG 93 1HH2 ARG 93 11.177 -5.278 11.118 734 HH22 ARG 93 2HH2 ARG 93 10.471 -6.145 12.449 735 H PHE 94 H PHE 94 6.490 -4.475 4.473 736 HA PHE 94 HA PHE 94 4.112 -6.069 4.987 737 HB2 PHE 94 2HB PHE 94 6.231 -6.084 2.782 738 HB3 PHE 94 3HB PHE 94 4.894 -7.226 2.838 739 HD1 PHE 94 HD1 PHE 94 5.856 -3.755 2.110 740 HD2 PHE 94 HD2 PHE 94 2.560 -6.459 2.454 741 HE1 PHE 94 HE1 PHE 94 4.414 -2.166 0.913 742 HE2 PHE 94 HE2 PHE 94 1.128 -4.858 1.256 743 HZ PHE 94 HZ PHE 94 2.053 -2.711 0.486 744 H GLU 95 H GLU 95 4.310 -7.511 6.549 745 HA GLU 95 HA GLU 95 6.820 -8.948 7.051 746 HB2 GLU 95 2HB GLU 95 5.504 -7.620 8.862 747 HB3 GLU 95 3HB GLU 95 4.345 -8.937 8.828 748 HG2 GLU 95 2HG GLU 95 7.288 -9.370 9.392 749 HG3 GLU 95 3HG GLU 95 6.139 -8.975 10.664 750 H VAL 96 H VAL 96 6.971 -10.818 6.035 751 HA VAL 96 HA VAL 96 4.678 -11.884 4.605 752 HB VAL 96 HB VAL 96 6.224 -12.942 3.131 753 HG11 VAL 96 1HG1 VAL 96 7.706 -11.073 2.453 754 HG12 VAL 96 2HG1 VAL 96 7.412 -10.271 3.996 755 HG13 VAL 96 3HG1 VAL 96 6.086 -10.514 2.857 756 HG21 VAL 96 1HG2 VAL 96 7.738 -14.005 4.750 757 HG22 VAL 96 2HG2 VAL 96 8.453 -12.444 5.151 758 HG23 VAL 96 3HG2 VAL 96 8.664 -13.123 3.535 759 H ASP 97 H ASP 97 4.127 -14.061 4.514 760 HA ASP 97 HA ASP 97 5.085 -15.931 6.581 761 HB2 ASP 97 2HB ASP 97 3.060 -14.874 7.498 762 HB3 ASP 97 3HB ASP 97 2.183 -15.157 6.001 763 H GLY 98 H GLY 98 6.058 -17.363 5.212 764 HA2 GLY 98 2HA GLY 98 6.193 -19.207 3.853 765 HA3 GLY 98 3HA GLY 98 4.460 -19.093 3.580 766 H ASP 99 H ASP 99 3.780 -18.397 1.630 767 HA ASP 99 HA ASP 99 5.767 -17.345 -0.322 768 HB2 ASP 99 2HB ASP 99 3.302 -19.084 -0.769 769 HB3 ASP 99 3HB ASP 99 4.246 -18.369 -2.074 770 H THR 100 H THR 100 3.400 -16.252 1.557 771 HA THR 100 HA THR 100 2.543 -14.147 -0.328 772 HB THR 100 HB THR 100 0.669 -15.770 -0.118 773 HG1 THR 100 HG1 THR 100 0.266 -13.452 -0.230 774 HG21 THR 100 1HG2 THR 100 0.724 -15.149 2.860 775 HG22 THR 100 2HG2 THR 100 1.167 -16.690 2.125 776 HG23 THR 100 3HG2 THR 100 -0.497 -16.113 2.025 777 H ILE 101 H ILE 101 1.807 -12.217 0.831 778 HA ILE 101 HA ILE 101 3.164 -11.768 3.399 779 HB ILE 101 HB ILE 101 1.865 -9.675 1.593 780 HG12 ILE 101 2HG1 ILE 101 4.830 -10.424 1.595 781 HG13 ILE 101 3HG1 ILE 101 3.693 -10.919 0.352 782 HG21 ILE 101 1HG2 ILE 101 3.952 -9.421 3.791 783 HG22 ILE 101 2HG2 ILE 101 2.236 -9.033 3.950 784 HG23 ILE 101 3HG2 ILE 101 3.253 -8.098 2.856 785 HD11 ILE 101 1HD1 ILE 101 4.477 -8.076 0.994 786 HD12 ILE 101 2HD1 ILE 101 3.320 -8.574 -0.243 787 HD13 ILE 101 3HD1 ILE 101 5.014 -9.039 -0.385 788 H ARG 102 H ARG 102 1.818 -12.249 5.047 789 HA ARG 102 HA ARG 102 -1.076 -12.085 4.767 790 HB2 ARG 102 2HB ARG 102 0.784 -13.157 6.915 791 HB3 ARG 102 3HB ARG 102 -0.946 -13.020 7.190 792 HG2 ARG 102 2HG ARG 102 0.284 -14.623 4.928 793 HG3 ARG 102 3HG ARG 102 -0.191 -15.298 6.489 794 HD2 ARG 102 2HD ARG 102 -2.003 -14.027 4.419 795 HD3 ARG 102 3HD ARG 102 -1.958 -15.728 4.889 796 HE ARG 102 HE ARG 102 -3.084 -13.494 6.435 797 HH11 ARG 102 1HH1 ARG 102 -2.578 -16.987 6.223 798 HH12 ARG 102 2HH1 ARG 102 -3.717 -17.337 7.484 799 HH21 ARG 102 1HH2 ARG 102 -4.542 -13.999 8.100 800 HH22 ARG 102 2HH2 ARG 102 -4.822 -15.658 8.538 801 H ARG 103 H ARG 103 1.465 -10.142 6.121 802 HA ARG 103 HA ARG 103 -0.436 -8.573 7.783 803 HB2 ARG 103 2HB ARG 103 2.365 -9.513 8.619 804 HB3 ARG 103 3HB ARG 103 1.255 -8.553 9.595 805 HG2 ARG 103 2HG ARG 103 -0.266 -10.393 9.862 806 HG3 ARG 103 3HG ARG 103 0.552 -11.336 8.620 807 HD2 ARG 103 2HD ARG 103 2.592 -11.337 10.161 808 HD3 ARG 103 3HD ARG 103 1.524 -10.702 11.416 809 HE ARG 103 HE ARG 103 0.124 -12.792 10.882 810 HH11 ARG 103 1HH1 ARG 103 3.651 -12.729 10.795 811 HH12 ARG 103 2HH1 ARG 103 3.804 -14.423 11.150 812 HH21 ARG 103 1HH2 ARG 103 0.351 -15.023 11.295 813 HH22 ARG 103 2HH2 ARG 103 1.939 -15.717 11.433 814 H VAL 104 H VAL 104 -0.006 -6.358 7.859 815 HA VAL 104 HA VAL 104 2.407 -5.247 6.643 816 HB VAL 104 HB VAL 104 0.905 -5.496 4.705 817 HG11 VAL 104 1HG1 VAL 104 -1.272 -5.464 5.816 818 HG12 VAL 104 2HG1 VAL 104 -1.225 -4.295 4.496 819 HG13 VAL 104 3HG1 VAL 104 -1.092 -3.743 6.168 820 HG21 VAL 104 1HG2 VAL 104 0.945 -3.166 3.870 821 HG22 VAL 104 2HG2 VAL 104 2.440 -3.593 4.701 822 HG23 VAL 104 3HG2 VAL 104 1.242 -2.583 5.512 823 H THR 105 H THR 105 2.950 -3.256 7.435 824 HA THR 105 HA THR 105 1.171 -1.942 9.419 825 HB THR 105 HB THR 105 4.241 -1.949 9.383 826 HG1 THR 105 HG1 THR 105 2.434 -3.508 10.946 827 HG21 THR 105 1HG2 THR 105 2.298 -1.072 11.549 828 HG22 THR 105 2HG2 THR 105 3.271 0.005 10.542 829 HG23 THR 105 3HG2 THR 105 4.058 -1.093 11.678 830 H VAL 106 H VAL 106 0.938 0.312 9.185 831 HA VAL 106 HA VAL 106 2.227 1.586 6.823 832 HB VAL 106 HB VAL 106 -0.356 2.425 8.239 833 HG11 VAL 106 1HG1 VAL 106 -0.665 3.985 6.339 834 HG12 VAL 106 2HG1 VAL 106 0.905 3.511 5.687 835 HG13 VAL 106 3HG1 VAL 106 0.811 4.349 7.237 836 HG21 VAL 106 1HG2 VAL 106 -0.010 1.035 5.552 837 HG22 VAL 106 2HG2 VAL 106 -1.537 1.607 6.229 838 HG23 VAL 106 3HG2 VAL 106 -0.655 0.301 7.023 839 H THR 107 H THR 107 3.989 2.689 7.481 840 HA THR 107 HA THR 107 3.972 4.238 9.998 841 HB THR 107 HB THR 107 6.305 3.477 8.175 842 HG1 THR 107 HG1 THR 107 5.172 2.251 10.455 843 HG21 THR 107 1HG2 THR 107 6.331 4.670 10.974 844 HG22 THR 107 2HG2 THR 107 6.799 5.506 9.489 845 HG23 THR 107 3HG2 THR 107 7.748 4.136 10.066 846 H GLN 108 H GLN 108 3.127 6.247 9.604 847 HA GLN 108 HA GLN 108 3.604 7.630 7.056 848 HB2 GLN 108 2HB GLN 108 1.299 7.594 7.968 849 HB3 GLN 108 3HB GLN 108 1.852 8.411 9.426 850 HG2 GLN 108 2HG GLN 108 2.488 10.388 8.057 851 HG3 GLN 108 3HG GLN 108 1.877 9.578 6.614 852 HE21 GLN 108 1HE2 GLN 108 1.023 12.105 7.733 853 HE22 GLN 108 2HE2 GLN 108 -0.658 11.942 8.100 854 H ASN 109 H ASN 109 5.699 8.256 7.154 855 HA ASN 109 HA ASN 109 6.858 9.809 9.306 856 HB2 ASN 109 2HB ASN 109 7.914 9.251 6.488 857 HB3 ASN 109 3HB ASN 109 8.839 9.943 7.815 858 HD21 ASN 109 1HD2 ASN 109 7.188 7.044 6.706 859 HD22 ASN 109 2HD2 ASN 109 8.094 5.936 7.674 860 H GLY 110 H GLY 110 5.313 11.527 9.386 861 HA2 GLY 110 2HA GLY 110 5.328 13.542 7.242 862 HA3 GLY 110 3HA GLY 110 4.403 13.597 8.737 863 H GLY 111 H GLY 111 6.891 12.802 10.241 864 HA2 GLY 111 2HA GLY 111 8.235 15.444 10.354 865 HA3 GLY 111 3HA GLY 111 7.940 14.400 11.738 866 H SER 112 H SER 112 9.890 14.895 8.880 867 HA SER 112 HA SER 112 11.577 12.547 9.338 868 HB2 SER 112 2HB SER 112 11.698 14.730 7.210 869 HB3 SER 112 3HB SER 112 12.657 13.247 7.210 870 HG SER 112 HG SER 112 10.758 13.108 5.903 871 H LEU 113 H LEU 113 11.585 14.641 11.385 872 HA LEU 113 HA LEU 113 14.042 16.181 11.124 873 HB2 LEU 113 2HB LEU 113 11.988 15.937 13.357 874 HB3 LEU 113 3HB LEU 113 13.447 16.899 13.508 875 HG LEU 113 HG LEU 113 12.642 18.258 11.484 876 HD11 LEU 113 1HD1 LEU 113 11.015 16.707 10.553 877 HD12 LEU 113 2HD1 LEU 113 10.252 18.245 10.956 878 HD13 LEU 113 3HD1 LEU 113 10.019 16.844 12.004 879 HD21 LEU 113 1HD2 LEU 113 10.964 18.347 14.013 880 HD22 LEU 113 2HD2 LEU 113 11.111 19.647 12.827 881 HD23 LEU 113 3HD2 LEU 113 12.520 19.143 13.756 882 H GLU 114 H GLU 114 13.479 13.022 11.900 883 HA GLU 114 HA GLU 114 15.338 12.669 14.090 884 HB2 GLU 114 2HB GLU 114 14.886 10.265 13.801 885 HB3 GLU 114 3HB GLU 114 13.388 11.181 13.891 886 HG2 GLU 114 2HG GLU 114 13.045 10.979 11.492 887 HG3 GLU 114 3HG GLU 114 14.633 10.235 11.289 888 H HIS 115 H HIS 115 16.863 10.565 13.550 889 HA HIS 115 HA HIS 115 18.554 11.239 11.209 890 HB2 HIS 115 2HB HIS 115 19.514 10.398 13.990 891 HB3 HIS 115 3HB HIS 115 20.547 10.685 12.593 892 HD1 HIS 115 HD1 HIS 115 21.439 13.026 12.361 893 HD2 HIS 115 HD2 HIS 115 18.178 12.850 14.933 894 HE1 HIS 115 HE1 HIS 115 21.229 15.322 13.356 895 HE2 HIS 115 HE2 HIS 115 19.174 15.225 14.790 896 H HIS 116 H HIS 116 17.654 9.590 9.969 897 HA HIS 116 HA HIS 116 17.365 6.874 10.773 898 HB2 HIS 116 2HB HIS 116 17.557 8.168 8.017 899 HB3 HIS 116 3HB HIS 116 17.324 6.436 8.226 900 HD1 HIS 116 HD1 HIS 116 15.438 9.461 7.787 901 HD2 HIS 116 HD2 HIS 116 14.861 5.886 9.805 902 HE1 HIS 116 HE1 HIS 116 12.956 9.286 8.138 903 HE2 HIS 116 HE2 HIS 116 12.632 7.066 9.282 904 H HIS 117 H HIS 117 19.748 8.354 8.566 905 HA HIS 117 HA HIS 117 21.771 6.326 9.152 906 HB2 HIS 117 2HB HIS 117 21.523 7.182 6.823 907 HB3 HIS 117 3HB HIS 117 21.842 8.821 7.376 908 HD1 HIS 117 HD1 HIS 117 23.579 5.489 6.895 909 HD2 HIS 117 HD2 HIS 117 24.537 9.490 7.479 910 HE1 HIS 117 HE1 HIS 117 26.049 5.666 6.470 911 HE2 HIS 117 HE2 HIS 117 26.613 8.064 6.960 912 H HIS 118 H HIS 118 21.822 6.803 11.441 913 HA HIS 118 HA HIS 118 22.493 9.425 12.438 914 HB2 HIS 118 2HB HIS 118 21.063 7.972 13.781 915 HB3 HIS 118 3HB HIS 118 22.308 6.727 13.844 916 HD1 HIS 118 HD1 HIS 118 23.651 6.751 15.945 917 HD2 HIS 118 HD2 HIS 118 22.037 10.486 15.127 918 HE1 HIS 118 HE1 HIS 118 24.343 8.220 17.859 919 HE2 HIS 118 HE2 HIS 118 23.276 10.441 17.383 920 H HIS 119 H HIS 119 24.435 10.042 11.631 921 HA HIS 119 HA HIS 119 26.795 8.415 11.609 922 HB2 HIS 119 2HB HIS 119 26.570 10.127 9.924 923 HB3 HIS 119 3HB HIS 119 26.336 11.387 11.128 924 HD1 HIS 119 HD1 HIS 119 28.383 12.690 11.749 925 HD2 HIS 119 HD2 HIS 119 29.350 9.037 10.007 926 HE1 HIS 119 HE1 HIS 119 30.885 12.680 11.527 927 HE2 HIS 119 HE2 HIS 119 31.446 10.429 10.572 928 H HIS 120 H HIS 120 28.456 8.344 13.012 929 HA HIS 120 HA HIS 120 28.384 9.916 15.518 930 HB2 HIS 120 2HB HIS 120 29.871 7.331 14.804 931 HB3 HIS 120 3HB HIS 120 30.081 8.201 16.323 932 HD1 HIS 120 HD1 HIS 120 28.600 7.459 18.178 933 HD2 HIS 120 HD2 HIS 120 27.034 6.426 14.473 934 HE1 HIS 120 HE1 HIS 120 26.560 6.088 18.667 935 HE2 HIS 120 HE2 HIS 120 25.807 5.263 16.423 Start of MODEL 6 1 H1 MET 1 1H MET 1 2.223 -16.212 -7.682 2 H2 MET 1 2H MET 1 2.318 -17.486 -6.578 3 H3 MET 1 3H MET 1 3.706 -16.960 -7.377 4 HA MET 1 HA MET 1 3.580 -14.837 -6.297 5 HB2 MET 1 2HB MET 1 1.089 -16.048 -5.070 6 HB3 MET 1 3HB MET 1 1.952 -14.751 -4.245 7 HG2 MET 1 2HG MET 1 0.048 -13.942 -5.610 8 HG3 MET 1 3HG MET 1 1.596 -13.255 -6.104 9 HE1 MET 1 1HE MET 1 1.005 -12.440 -8.440 10 HE2 MET 1 2HE MET 1 -0.687 -12.797 -8.079 11 HE3 MET 1 3HE MET 1 0.026 -13.344 -9.594 12 H GLN 2 H GLN 2 5.580 -15.939 -6.020 13 HA GLN 2 HA GLN 2 6.025 -16.514 -3.142 14 HB2 GLN 2 2HB GLN 2 6.349 -18.578 -4.540 15 HB3 GLN 2 3HB GLN 2 7.554 -17.729 -5.502 16 HG2 GLN 2 2HG GLN 2 8.926 -17.475 -3.384 17 HG3 GLN 2 3HG GLN 2 7.744 -18.500 -2.571 18 HE21 GLN 2 1HE2 GLN 2 9.353 -20.043 -2.128 19 HE22 GLN 2 2HE2 GLN 2 9.978 -21.094 -3.328 20 H ASP 3 H ASP 3 6.220 -14.344 -5.514 21 HA ASP 3 HA ASP 3 8.992 -13.496 -5.423 22 HB2 ASP 3 2HB ASP 3 6.606 -12.178 -6.803 23 HB3 ASP 3 3HB ASP 3 8.310 -11.882 -7.138 24 H ILE 4 H ILE 4 8.838 -13.192 -3.101 25 HA ILE 4 HA ILE 4 7.105 -11.718 -1.606 26 HB ILE 4 HB ILE 4 10.073 -12.273 -1.207 27 HG12 ILE 4 2HG1 ILE 4 8.662 -14.289 -1.266 28 HG13 ILE 4 3HG1 ILE 4 9.273 -14.046 0.364 29 HG21 ILE 4 1HG2 ILE 4 8.187 -11.086 0.843 30 HG22 ILE 4 2HG2 ILE 4 9.653 -10.359 0.194 31 HG23 ILE 4 3HG2 ILE 4 9.762 -11.783 1.227 32 HD11 ILE 4 1HD1 ILE 4 7.082 -13.133 1.027 33 HD12 ILE 4 2HD1 ILE 4 6.977 -14.780 0.412 34 HD13 ILE 4 3HD1 ILE 4 6.479 -13.431 -0.607 35 H VAL 5 H VAL 5 10.067 -10.471 -3.160 36 HA VAL 5 HA VAL 5 10.021 -7.863 -2.032 37 HB VAL 5 HB VAL 5 11.311 -8.745 -4.662 38 HG11 VAL 5 1HG1 VAL 5 12.885 -6.879 -4.298 39 HG12 VAL 5 2HG1 VAL 5 12.005 -6.411 -2.841 40 HG13 VAL 5 3HG1 VAL 5 11.220 -6.300 -4.417 41 HG21 VAL 5 1HG2 VAL 5 12.520 -8.814 -1.872 42 HG22 VAL 5 2HG2 VAL 5 13.367 -9.189 -3.374 43 HG23 VAL 5 3HG2 VAL 5 12.039 -10.217 -2.827 44 H GLU 6 H GLU 6 9.105 -9.082 -5.263 45 HA GLU 6 HA GLU 6 8.366 -6.493 -6.257 46 HB2 GLU 6 2HB GLU 6 9.398 -8.324 -7.626 47 HB3 GLU 6 3HB GLU 6 7.903 -9.236 -7.491 48 HG2 GLU 6 2HG GLU 6 8.079 -8.121 -9.662 49 HG3 GLU 6 3HG GLU 6 6.704 -7.512 -8.747 50 H ALA 7 H ALA 7 6.641 -9.191 -4.873 51 HA ALA 7 HA ALA 7 3.998 -8.548 -5.682 52 HB1 ALA 7 1HB ALA 7 4.590 -10.783 -4.877 53 HB2 ALA 7 2HB ALA 7 3.306 -10.097 -3.880 54 HB3 ALA 7 3HB ALA 7 4.967 -10.136 -3.281 55 H ALA 8 H ALA 8 5.927 -7.825 -2.780 56 HA ALA 8 HA ALA 8 3.934 -6.349 -1.376 57 HB1 ALA 8 1HB ALA 8 6.948 -6.325 -1.102 58 HB2 ALA 8 2HB ALA 8 5.830 -7.393 -0.255 59 HB3 ALA 8 3HB ALA 8 5.800 -5.661 0.068 60 H LYS 9 H LYS 9 6.430 -5.461 -3.683 61 HA LYS 9 HA LYS 9 6.329 -2.650 -3.464 62 HB2 LYS 9 2HB LYS 9 8.136 -3.880 -4.602 63 HB3 LYS 9 3HB LYS 9 7.010 -4.439 -5.833 64 HG2 LYS 9 2HG LYS 9 6.691 -2.078 -6.571 65 HG3 LYS 9 3HG LYS 9 7.887 -1.567 -5.371 66 HD2 LYS 9 2HD LYS 9 9.627 -2.886 -6.483 67 HD3 LYS 9 3HD LYS 9 8.445 -3.546 -7.617 68 HE2 LYS 9 2HE LYS 9 8.064 -1.218 -8.474 69 HE3 LYS 9 3HE LYS 9 9.378 -0.669 -7.428 70 HZ1 LYS 9 1HZ LYS 9 9.603 -2.659 -9.629 71 HZ2 LYS 9 2HZ LYS 9 10.864 -2.222 -8.589 72 HZ3 LYS 9 3HZ LYS 9 10.200 -1.080 -9.642 73 H GLN 10 H GLN 10 4.644 -4.905 -5.660 74 HA GLN 10 HA GLN 10 2.954 -3.017 -6.939 75 HB2 GLN 10 2HB GLN 10 2.816 -6.036 -6.607 76 HB3 GLN 10 3HB GLN 10 1.571 -5.154 -7.482 77 HG2 GLN 10 2HG GLN 10 4.515 -5.139 -8.199 78 HG3 GLN 10 3HG GLN 10 3.291 -6.160 -8.956 79 HE21 GLN 10 1HE2 GLN 10 1.755 -5.195 -10.342 80 HE22 GLN 10 2HE2 GLN 10 1.958 -3.600 -10.966 81 H ALA 11 H ALA 11 2.680 -4.851 -3.970 82 HA ALA 11 HA ALA 11 -0.072 -4.531 -3.433 83 HB1 ALA 11 1HB ALA 11 0.503 -5.169 -1.139 84 HB2 ALA 11 2HB ALA 11 2.217 -4.896 -1.466 85 HB3 ALA 11 3HB ALA 11 1.354 -6.192 -2.295 86 H ALA 12 H ALA 12 2.798 -2.649 -2.480 87 HA ALA 12 HA ALA 12 1.591 -0.764 -0.813 88 HB1 ALA 12 1HB ALA 12 4.021 -1.074 -0.965 89 HB2 ALA 12 2HB ALA 12 3.587 0.618 -1.222 90 HB3 ALA 12 3HB ALA 12 4.022 -0.406 -2.597 91 H ILE 13 H ILE 13 2.280 -0.606 -4.294 92 HA ILE 13 HA ILE 13 1.232 1.963 -4.830 93 HB ILE 13 HB ILE 13 1.527 -0.428 -6.721 94 HG12 ILE 13 2HG1 ILE 13 3.488 1.865 -6.201 95 HG13 ILE 13 3HG1 ILE 13 3.660 0.232 -5.573 96 HG21 ILE 13 1HG2 ILE 13 1.256 2.522 -7.401 97 HG22 ILE 13 2HG2 ILE 13 0.039 1.275 -7.684 98 HG23 ILE 13 3HG2 ILE 13 1.572 1.228 -8.558 99 HD11 ILE 13 1HD1 ILE 13 3.879 -0.624 -7.858 100 HD12 ILE 13 2HD1 ILE 13 5.108 0.578 -7.468 101 HD13 ILE 13 3HD1 ILE 13 3.738 1.023 -8.485 102 H ALA 14 H ALA 14 -0.230 -1.286 -4.886 103 HA ALA 14 HA ALA 14 -2.740 -0.623 -6.031 104 HB1 ALA 14 1HB ALA 14 -1.892 -2.922 -5.948 105 HB2 ALA 14 2HB ALA 14 -3.482 -2.814 -5.189 106 HB3 ALA 14 3HB ALA 14 -2.027 -2.929 -4.192 107 H ILE 15 H ILE 15 -1.566 -0.689 -2.702 108 HA ILE 15 HA ILE 15 -3.968 -0.294 -1.298 109 HB ILE 15 HB ILE 15 -1.058 0.330 -0.638 110 HG12 ILE 15 2HG1 ILE 15 -3.018 -1.732 0.471 111 HG13 ILE 15 3HG1 ILE 15 -1.755 -2.054 -0.703 112 HG21 ILE 15 1HG2 ILE 15 -2.323 2.028 0.590 113 HG22 ILE 15 2HG2 ILE 15 -1.680 0.824 1.708 114 HG23 ILE 15 3HG2 ILE 15 -3.385 0.786 1.256 115 HD11 ILE 15 1HD1 ILE 15 -0.061 -1.526 0.988 116 HD12 ILE 15 2HD1 ILE 15 -1.120 -2.846 1.477 117 HD13 ILE 15 3HD1 ILE 15 -1.342 -1.242 2.172 118 H PHE 16 H PHE 16 -1.689 2.018 -2.757 119 HA PHE 16 HA PHE 16 -3.111 4.360 -1.861 120 HB2 PHE 16 2HB PHE 16 -0.928 4.078 -3.972 121 HB3 PHE 16 3HB PHE 16 -1.535 5.610 -3.343 122 HD1 PHE 16 HD1 PHE 16 -1.731 5.337 -0.511 123 HD2 PHE 16 HD2 PHE 16 1.216 3.673 -3.131 124 HE1 PHE 16 HE1 PHE 16 -0.130 5.218 1.353 125 HE2 PHE 16 HE2 PHE 16 2.794 3.556 -1.266 126 HZ PHE 16 HZ PHE 16 2.129 4.333 0.974 127 H GLN 17 H GLN 17 -3.141 2.383 -4.772 128 HA GLN 17 HA GLN 17 -4.673 4.113 -6.428 129 HB2 GLN 17 2HB GLN 17 -4.295 1.094 -6.483 130 HB3 GLN 17 3HB GLN 17 -5.250 1.955 -7.689 131 HG2 GLN 17 2HG GLN 17 -3.274 3.250 -8.357 132 HG3 GLN 17 3HG GLN 17 -2.304 2.424 -7.137 133 HE21 GLN 17 1HE2 GLN 17 -1.744 0.231 -7.481 134 HE22 GLN 17 2HE2 GLN 17 -1.872 -0.517 -9.031 135 H LEU 18 H LEU 18 -5.551 1.716 -3.984 136 HA LEU 18 HA LEU 18 -8.388 1.986 -4.324 137 HB2 LEU 18 2HB LEU 18 -6.706 0.918 -2.027 138 HB3 LEU 18 3HB LEU 18 -8.463 0.948 -1.979 139 HG LEU 18 HG LEU 18 -6.794 -0.593 -4.006 140 HD11 LEU 18 1HD1 LEU 18 -7.548 -2.611 -2.857 141 HD12 LEU 18 2HD1 LEU 18 -8.385 -1.636 -1.645 142 HD13 LEU 18 3HD1 LEU 18 -6.624 -1.572 -1.774 143 HD21 LEU 18 1HD2 LEU 18 -9.807 -0.545 -3.610 144 HD22 LEU 18 2HD2 LEU 18 -8.922 -1.613 -4.705 145 HD23 LEU 18 3HD2 LEU 18 -8.915 0.125 -4.982 146 H TRP 19 H TRP 19 -6.011 3.420 -2.051 147 HA TRP 19 HA TRP 19 -7.836 4.853 -0.466 148 HB2 TRP 19 2HB TRP 19 -4.864 5.185 -0.952 149 HB3 TRP 19 3HB TRP 19 -5.737 6.288 0.107 150 HD1 TRP 19 HD1 TRP 19 -7.287 3.015 0.690 151 HE1 TRP 19 HE1 TRP 19 -6.297 1.892 2.774 152 HE3 TRP 19 HE3 TRP 19 -3.125 5.941 1.308 153 HZ2 TRP 19 HZ2 TRP 19 -4.060 2.189 4.464 154 HZ3 TRP 19 HZ3 TRP 19 -1.612 5.451 3.187 155 HH2 TRP 19 HH2 TRP 19 -2.069 3.615 4.734 156 H LYS 20 H LYS 20 -6.489 5.698 -3.594 157 HA LYS 20 HA LYS 20 -7.694 8.388 -3.508 158 HB2 LYS 20 2HB LYS 20 -6.635 8.776 -5.685 159 HB3 LYS 20 3HB LYS 20 -5.449 8.153 -4.543 160 HG2 LYS 20 2HG LYS 20 -5.591 5.924 -5.573 161 HG3 LYS 20 3HG LYS 20 -6.836 6.503 -6.680 162 HD2 LYS 20 2HD LYS 20 -4.684 6.422 -7.830 163 HD3 LYS 20 3HD LYS 20 -5.211 8.094 -7.671 164 HE2 LYS 20 2HE LYS 20 -3.661 8.371 -5.744 165 HE3 LYS 20 3HE LYS 20 -3.119 6.704 -5.963 166 HZ1 LYS 20 1HZ LYS 20 -2.819 8.923 -7.939 167 HZ2 LYS 20 2HZ LYS 20 -2.389 7.321 -8.229 168 HZ3 LYS 20 3HZ LYS 20 -1.577 8.203 -7.044 169 H ASN 21 H ASN 21 -8.331 5.185 -4.759 170 HA ASN 21 HA ASN 21 -10.872 6.013 -5.950 171 HB2 ASN 21 2HB ASN 21 -9.158 6.251 -7.781 172 HB3 ASN 21 3HB ASN 21 -8.735 4.552 -7.595 173 HD21 ASN 21 1HD2 ASN 21 -10.309 2.981 -8.244 174 HD22 ASN 21 2HD2 ASN 21 -11.555 3.376 -9.362 175 HA PRO 22 HA PRO 22 -10.956 2.046 -3.464 176 HB2 PRO 22 2HB PRO 22 -13.469 2.349 -2.398 177 HB3 PRO 22 3HB PRO 22 -12.058 3.216 -1.757 178 HG2 PRO 22 2HG PRO 22 -14.139 4.206 -3.688 179 HG3 PRO 22 3HG PRO 22 -13.498 5.000 -2.230 180 HD2 PRO 22 2HD PRO 22 -12.581 5.650 -4.691 181 HD3 PRO 22 3HD PRO 22 -11.496 5.625 -3.282 182 H THR 23 H THR 23 -12.835 3.157 -6.071 183 HA THR 23 HA THR 23 -14.480 0.800 -6.439 184 HB THR 23 HB THR 23 -15.234 2.016 -8.509 185 HG1 THR 23 HG1 THR 23 -13.589 3.267 -9.176 186 HG21 THR 23 1HG2 THR 23 -15.257 3.733 -5.992 187 HG22 THR 23 2HG2 THR 23 -16.417 2.462 -6.383 188 HG23 THR 23 3HG2 THR 23 -16.345 3.920 -7.373 189 H ASP 24 H ASP 24 -11.263 1.225 -6.841 190 HA ASP 24 HA ASP 24 -10.862 0.189 -9.502 191 HB2 ASP 24 2HB ASP 24 -9.182 1.648 -8.137 192 HB3 ASP 24 3HB ASP 24 -8.752 0.169 -7.295 193 HA PRO 25 HA PRO 25 -11.749 -3.991 -7.898 194 HB2 PRO 25 2HB PRO 25 -12.077 -5.274 -10.279 195 HB3 PRO 25 3HB PRO 25 -13.282 -4.114 -9.673 196 HG2 PRO 25 2HG PRO 25 -11.127 -3.683 -11.720 197 HG3 PRO 25 3HG PRO 25 -12.833 -3.176 -11.761 198 HD2 PRO 25 2HD PRO 25 -10.780 -1.491 -11.030 199 HD3 PRO 25 3HD PRO 25 -12.446 -1.306 -10.439 200 H GLU 26 H GLU 26 -9.146 -3.070 -10.037 201 HA GLU 26 HA GLU 26 -7.899 -5.645 -10.287 202 HB2 GLU 26 2HB GLU 26 -6.782 -2.873 -10.919 203 HB3 GLU 26 3HB GLU 26 -6.117 -4.405 -11.476 204 HG2 GLU 26 2HG GLU 26 -8.804 -3.235 -12.234 205 HG3 GLU 26 3HG GLU 26 -7.367 -3.287 -13.252 206 H ALA 27 H ALA 27 -7.292 -2.697 -8.442 207 HA ALA 27 HA ALA 27 -4.780 -3.317 -7.364 208 HB1 ALA 27 1HB ALA 27 -5.252 -1.485 -5.780 209 HB2 ALA 27 2HB ALA 27 -6.955 -1.512 -6.250 210 HB3 ALA 27 3HB ALA 27 -5.722 -1.043 -7.422 211 H GLN 28 H GLN 28 -8.059 -3.696 -6.003 212 HA GLN 28 HA GLN 28 -7.150 -4.935 -3.573 213 HB2 GLN 28 2HB GLN 28 -9.555 -5.245 -3.074 214 HB3 GLN 28 3HB GLN 28 -9.169 -3.599 -3.551 215 HG2 GLN 28 2HG GLN 28 -10.029 -4.120 -5.846 216 HG3 GLN 28 3HG GLN 28 -10.553 -5.693 -5.244 217 HE21 GLN 28 1HE2 GLN 28 -11.128 -2.246 -5.149 218 HE22 GLN 28 2HE2 GLN 28 -12.675 -2.325 -4.384 219 H GLU 29 H GLU 29 -8.029 -6.133 -6.731 220 HA GLU 29 HA GLU 29 -8.630 -8.841 -6.013 221 HB2 GLU 29 2HB GLU 29 -9.358 -7.836 -8.173 222 HB3 GLU 29 3HB GLU 29 -7.676 -7.744 -8.693 223 HG2 GLU 29 2HG GLU 29 -7.538 -10.247 -8.529 224 HG3 GLU 29 3HG GLU 29 -9.251 -10.278 -8.115 225 H LEU 30 H LEU 30 -5.683 -7.222 -7.237 226 HA LEU 30 HA LEU 30 -4.085 -9.582 -7.279 227 HB2 LEU 30 2HB LEU 30 -2.178 -8.134 -7.720 228 HB3 LEU 30 3HB LEU 30 -3.550 -7.677 -8.700 229 HG LEU 30 HG LEU 30 -3.901 -5.821 -6.804 230 HD11 LEU 30 1HD1 LEU 30 -0.926 -6.338 -6.553 231 HD12 LEU 30 2HD1 LEU 30 -2.140 -6.536 -5.288 232 HD13 LEU 30 3HD1 LEU 30 -1.786 -4.933 -5.918 233 HD21 LEU 30 1HD2 LEU 30 -3.518 -5.296 -9.149 234 HD22 LEU 30 2HD2 LEU 30 -1.781 -5.540 -8.950 235 HD23 LEU 30 3HD2 LEU 30 -2.592 -4.216 -8.110 236 H LEU 31 H LEU 31 -4.840 -7.211 -4.837 237 HA LEU 31 HA LEU 31 -2.933 -7.981 -2.863 238 HB2 LEU 31 2HB LEU 31 -5.586 -6.518 -2.694 239 HB3 LEU 31 3HB LEU 31 -4.632 -6.859 -1.260 240 HG LEU 31 HG LEU 31 -3.687 -5.158 -3.601 241 HD11 LEU 31 1HD1 LEU 31 -5.497 -4.045 -2.364 242 HD12 LEU 31 2HD1 LEU 31 -3.954 -3.233 -2.114 243 HD13 LEU 31 3HD1 LEU 31 -4.617 -4.272 -0.848 244 HD21 LEU 31 1HD2 LEU 31 -1.829 -4.544 -2.104 245 HD22 LEU 31 2HD2 LEU 31 -1.830 -6.262 -2.492 246 HD23 LEU 31 3HD2 LEU 31 -2.403 -5.716 -0.912 247 H ASN 32 H ASN 32 -5.807 -9.547 -3.965 248 HA ASN 32 HA ASN 32 -6.202 -11.188 -1.588 249 HB2 ASN 32 2HB ASN 32 -7.989 -10.568 -3.363 250 HB3 ASN 32 3HB ASN 32 -7.238 -11.765 -4.408 251 HD21 ASN 32 1HD2 ASN 32 -9.942 -11.674 -3.327 252 HD22 ASN 32 2HD2 ASN 32 -10.174 -13.131 -2.428 253 H LYS 33 H LYS 33 -4.333 -11.258 -4.506 254 HA LYS 33 HA LYS 33 -3.752 -14.103 -4.516 255 HB2 LYS 33 2HB LYS 33 -2.543 -11.867 -6.204 256 HB3 LYS 33 3HB LYS 33 -2.502 -13.595 -6.560 257 HG2 LYS 33 2HG LYS 33 -4.915 -13.631 -6.929 258 HG3 LYS 33 3HG LYS 33 -5.053 -11.954 -6.401 259 HD2 LYS 33 2HD LYS 33 -5.188 -12.000 -8.813 260 HD3 LYS 33 3HD LYS 33 -3.650 -11.263 -8.363 261 HE2 LYS 33 2HE LYS 33 -2.508 -13.416 -8.825 262 HE3 LYS 33 3HE LYS 33 -4.057 -14.126 -9.288 263 HZ1 LYS 33 1HZ LYS 33 -2.929 -13.461 -11.248 264 HZ2 LYS 33 2HZ LYS 33 -2.632 -11.908 -10.653 265 HZ3 LYS 33 3HZ LYS 33 -4.211 -12.383 -11.027 266 H ILE 34 H ILE 34 -2.144 -11.095 -3.547 267 HA ILE 34 HA ILE 34 0.396 -12.528 -2.980 268 HB ILE 34 HB ILE 34 1.499 -10.311 -3.041 269 HG12 ILE 34 2HG1 ILE 34 -1.305 -9.237 -3.604 270 HG13 ILE 34 3HG1 ILE 34 -0.260 -8.826 -2.258 271 HG21 ILE 34 1HG2 ILE 34 -0.208 -10.832 -5.502 272 HG22 ILE 34 2HG2 ILE 34 1.332 -11.606 -5.126 273 HG23 ILE 34 3HG2 ILE 34 1.276 -9.877 -5.464 274 HD11 ILE 34 1HD1 ILE 34 -0.353 -7.025 -3.845 275 HD12 ILE 34 2HD1 ILE 34 0.200 -8.084 -5.142 276 HD13 ILE 34 3HD1 ILE 34 1.271 -7.702 -3.792 277 H LEU 35 H LEU 35 -2.036 -10.430 -1.543 278 HA LEU 35 HA LEU 35 -0.888 -10.794 1.169 279 HB2 LEU 35 2HB LEU 35 -2.360 -8.512 -0.133 280 HB3 LEU 35 3HB LEU 35 -2.761 -8.831 1.540 281 HG LEU 35 HG LEU 35 -1.092 -7.050 1.337 282 HD11 LEU 35 1HD1 LEU 35 -1.121 -8.422 3.366 283 HD12 LEU 35 2HD1 LEU 35 0.509 -7.865 2.999 284 HD13 LEU 35 3HD1 LEU 35 0.052 -9.535 2.653 285 HD21 LEU 35 1HD2 LEU 35 0.763 -9.128 0.128 286 HD22 LEU 35 2HD2 LEU 35 1.206 -7.477 0.577 287 HD23 LEU 35 3HD2 LEU 35 0.044 -7.757 -0.719 288 H SER 36 H SER 36 -2.730 -10.733 2.872 289 HA SER 36 HA SER 36 -4.568 -12.857 2.367 290 HB2 SER 36 2HB SER 36 -4.457 -10.949 4.743 291 HB3 SER 36 3HB SER 36 -5.258 -12.519 4.693 292 HG SER 36 HG SER 36 -3.033 -12.311 5.637 293 HA PRO 37 HA PRO 37 -8.234 -10.616 0.836 294 HB2 PRO 37 2HB PRO 37 -9.659 -12.423 2.797 295 HB3 PRO 37 3HB PRO 37 -10.047 -12.076 1.095 296 HG2 PRO 37 2HG PRO 37 -8.874 -14.365 1.705 297 HG3 PRO 37 3HG PRO 37 -8.337 -13.457 0.272 298 HD2 PRO 37 2HD PRO 37 -7.005 -13.700 2.960 299 HD3 PRO 37 3HD PRO 37 -6.277 -13.638 1.337 300 H ASP 38 H ASP 38 -7.793 -11.111 4.310 301 HA ASP 38 HA ASP 38 -9.498 -9.136 5.363 302 HB2 ASP 38 2HB ASP 38 -8.437 -10.909 6.724 303 HB3 ASP 38 3HB ASP 38 -6.847 -10.213 6.444 304 H VAL 39 H VAL 39 -6.198 -8.941 4.128 305 HA VAL 39 HA VAL 39 -5.574 -6.356 5.171 306 HB VAL 39 HB VAL 39 -4.192 -7.954 2.968 307 HG11 VAL 39 1HG1 VAL 39 -2.221 -6.501 3.387 308 HG12 VAL 39 2HG1 VAL 39 -3.183 -5.523 4.499 309 HG13 VAL 39 3HG1 VAL 39 -3.599 -5.576 2.784 310 HG21 VAL 39 1HG2 VAL 39 -2.582 -8.605 4.721 311 HG22 VAL 39 2HG2 VAL 39 -4.214 -9.125 5.143 312 HG23 VAL 39 3HG2 VAL 39 -3.514 -7.707 5.926 313 H LEU 40 H LEU 40 -6.565 -7.513 1.897 314 HA LEU 40 HA LEU 40 -6.453 -4.965 0.655 315 HB2 LEU 40 2HB LEU 40 -7.564 -5.923 -1.211 316 HB3 LEU 40 3HB LEU 40 -6.549 -7.174 -0.534 317 HG LEU 40 HG LEU 40 -8.895 -7.844 0.686 318 HD11 LEU 40 1HD1 LEU 40 -10.787 -7.677 -0.848 319 HD12 LEU 40 2HD1 LEU 40 -9.832 -6.692 -1.959 320 HD13 LEU 40 3HD1 LEU 40 -10.238 -6.078 -0.355 321 HD21 LEU 40 1HD2 LEU 40 -8.126 -8.705 -2.108 322 HD22 LEU 40 2HD2 LEU 40 -9.204 -9.567 -1.006 323 HD23 LEU 40 3HD2 LEU 40 -7.505 -9.366 -0.594 324 H ASP 41 H ASP 41 -8.819 -6.529 2.630 325 HA ASP 41 HA ASP 41 -11.088 -4.940 2.016 326 HB2 ASP 41 2HB ASP 41 -11.261 -7.192 3.080 327 HB3 ASP 41 3HB ASP 41 -10.544 -6.550 4.557 328 H GLN 42 H GLN 42 -8.867 -4.899 4.869 329 HA GLN 42 HA GLN 42 -9.977 -2.625 6.072 330 HB2 GLN 42 2HB GLN 42 -7.958 -2.503 7.450 331 HB3 GLN 42 3HB GLN 42 -8.500 -4.169 7.286 332 HG2 GLN 42 2HG GLN 42 -6.734 -4.652 5.692 333 HG3 GLN 42 3HG GLN 42 -6.251 -2.956 5.660 334 HE21 GLN 42 1HE2 GLN 42 -4.135 -3.450 6.295 335 HE22 GLN 42 2HE2 GLN 42 -3.743 -3.936 7.906 336 H VAL 43 H VAL 43 -7.549 -2.879 3.542 337 HA VAL 43 HA VAL 43 -6.699 -0.173 3.481 338 HB VAL 43 HB VAL 43 -6.696 -2.343 1.333 339 HG11 VAL 43 1HG1 VAL 43 -5.397 0.401 1.171 340 HG12 VAL 43 2HG1 VAL 43 -6.748 -0.173 0.190 341 HG13 VAL 43 3HG1 VAL 43 -5.159 -0.919 0.021 342 HG21 VAL 43 1HG2 VAL 43 -4.277 -2.478 1.799 343 HG22 VAL 43 2HG2 VAL 43 -5.208 -2.753 3.273 344 HG23 VAL 43 3HG2 VAL 43 -4.425 -1.196 3.006 345 H ARG 44 H ARG 44 -9.211 -1.931 1.571 346 HA ARG 44 HA ARG 44 -9.990 0.396 0.107 347 HB2 ARG 44 2HB ARG 44 -11.775 -0.927 -0.858 348 HB3 ARG 44 3HB ARG 44 -10.308 -1.894 -0.796 349 HG2 ARG 44 2HG ARG 44 -11.178 -3.052 1.217 350 HG3 ARG 44 3HG ARG 44 -12.666 -2.117 1.100 351 HD2 ARG 44 2HD ARG 44 -13.182 -3.149 -1.053 352 HD3 ARG 44 3HD ARG 44 -11.642 -4.022 -1.039 353 HE ARG 44 HE ARG 44 -13.057 -4.668 1.311 354 HH11 ARG 44 1HH1 ARG 44 -13.334 -5.225 -2.149 355 HH12 ARG 44 2HH1 ARG 44 -14.192 -6.721 -1.960 356 HH21 ARG 44 1HH2 ARG 44 -14.154 -6.644 1.544 357 HH22 ARG 44 2HH2 ARG 44 -14.655 -7.525 0.135 358 H GLU 45 H GLU 45 -10.908 -0.836 3.231 359 HA GLU 45 HA GLU 45 -13.362 0.604 3.518 360 HB2 GLU 45 2HB GLU 45 -11.439 -0.489 5.617 361 HB3 GLU 45 3HB GLU 45 -13.010 0.208 5.997 362 HG2 GLU 45 2HG GLU 45 -12.497 -2.285 4.361 363 HG3 GLU 45 3HG GLU 45 -13.147 -2.216 5.994 364 H HIS 46 H HIS 46 -10.006 1.291 4.544 365 HA HIS 46 HA HIS 46 -10.500 3.916 5.529 366 HB2 HIS 46 2HB HIS 46 -7.965 2.504 4.629 367 HB3 HIS 46 3HB HIS 46 -7.939 4.185 5.154 368 HD1 HIS 46 HD1 HIS 46 -7.785 0.780 6.465 369 HD2 HIS 46 HD2 HIS 46 -8.851 4.520 7.930 370 HE1 HIS 46 HE1 HIS 46 -7.787 0.557 8.963 371 HE2 HIS 46 HE2 HIS 46 -8.606 2.771 9.809 372 H ALA 47 H ALA 47 -9.891 2.623 2.359 373 HA ALA 47 HA ALA 47 -9.388 4.971 0.889 374 HB1 ALA 47 1HB ALA 47 -9.015 2.713 0.023 375 HB2 ALA 47 2HB ALA 47 -10.072 3.630 -1.050 376 HB3 ALA 47 3HB ALA 47 -10.753 2.407 0.024 377 H ARG 48 H ARG 48 -12.412 3.359 1.819 378 HA ARG 48 HA ARG 48 -14.224 5.010 0.368 379 HB2 ARG 48 2HB ARG 48 -14.636 3.273 2.836 380 HB3 ARG 48 3HB ARG 48 -15.945 4.029 1.932 381 HG2 ARG 48 2HG ARG 48 -15.524 2.696 -0.006 382 HG3 ARG 48 3HG ARG 48 -13.991 2.113 0.636 383 HD2 ARG 48 2HD ARG 48 -15.727 0.383 0.774 384 HD3 ARG 48 3HD ARG 48 -15.183 0.857 2.386 385 HE ARG 48 HE ARG 48 -17.514 2.297 1.504 386 HH11 ARG 48 1HH1 ARG 48 -16.487 -0.743 3.018 387 HH12 ARG 48 2HH1 ARG 48 -18.025 -0.987 3.789 388 HH21 ARG 48 1HH2 ARG 48 -19.491 1.954 2.557 389 HH22 ARG 48 2HH2 ARG 48 -19.719 0.532 3.532 390 H GLU 49 H GLU 49 -12.561 5.425 3.382 391 HA GLU 49 HA GLU 49 -14.227 7.563 4.425 392 HB2 GLU 49 2HB GLU 49 -11.469 6.586 5.296 393 HB3 GLU 49 3HB GLU 49 -12.492 7.704 6.198 394 HG2 GLU 49 2HG GLU 49 -14.186 5.944 6.497 395 HG3 GLU 49 3HG GLU 49 -13.201 4.833 5.542 396 H LEU 50 H LEU 50 -10.962 7.258 2.998 397 HA LEU 50 HA LEU 50 -10.348 10.033 2.852 398 HB2 LEU 50 2HB LEU 50 -9.241 7.709 1.220 399 HB3 LEU 50 3HB LEU 50 -8.531 9.315 1.290 400 HG LEU 50 HG LEU 50 -8.751 7.390 3.640 401 HD11 LEU 50 1HD1 LEU 50 -6.319 7.154 3.455 402 HD12 LEU 50 2HD1 LEU 50 -6.315 8.178 2.016 403 HD13 LEU 50 3HD1 LEU 50 -7.131 6.613 1.987 404 HD21 LEU 50 1HD2 LEU 50 -8.862 9.709 4.395 405 HD22 LEU 50 2HD2 LEU 50 -7.398 10.101 3.492 406 HD23 LEU 50 3HD2 LEU 50 -7.327 8.979 4.853 407 H GLN 51 H GLN 51 -12.286 7.958 0.904 408 HA GLN 51 HA GLN 51 -12.431 9.373 -1.537 409 HB2 GLN 51 2HB GLN 51 -13.259 7.078 -1.309 410 HB3 GLN 51 3HB GLN 51 -14.470 7.579 -0.139 411 HG2 GLN 51 2HG GLN 51 -15.632 8.867 -1.905 412 HG3 GLN 51 3HG GLN 51 -14.396 8.380 -3.063 413 HE21 GLN 51 1HE2 GLN 51 -15.856 7.342 -4.428 414 HE22 GLN 51 2HE2 GLN 51 -16.671 5.880 -3.995 415 H LYS 52 H LYS 52 -14.078 9.780 1.549 416 HA LYS 52 HA LYS 52 -15.924 11.821 0.598 417 HB2 LYS 52 2HB LYS 52 -15.319 10.874 3.432 418 HB3 LYS 52 3HB LYS 52 -16.641 11.946 2.969 419 HG2 LYS 52 2HG LYS 52 -17.609 10.106 1.588 420 HG3 LYS 52 3HG LYS 52 -16.311 9.044 2.148 421 HD2 LYS 52 2HD LYS 52 -17.087 9.416 4.507 422 HD3 LYS 52 3HD LYS 52 -18.439 10.363 3.879 423 HE2 LYS 52 2HE LYS 52 -19.159 8.086 4.398 424 HE3 LYS 52 3HE LYS 52 -19.242 8.356 2.654 425 HZ1 LYS 52 1HZ LYS 52 -18.256 6.206 3.257 426 HZ2 LYS 52 2HZ LYS 52 -16.991 7.001 4.043 427 HZ3 LYS 52 3HZ LYS 52 -17.183 7.172 2.375 428 H GLN 53 H GLN 53 -12.835 11.626 2.235 429 HA GLN 53 HA GLN 53 -12.808 14.383 3.170 430 HB2 GLN 53 2HB GLN 53 -10.618 12.255 3.154 431 HB3 GLN 53 3HB GLN 53 -10.509 13.817 3.965 432 HG2 GLN 53 2HG GLN 53 -12.345 13.211 5.455 433 HG3 GLN 53 3HG GLN 53 -12.550 11.674 4.615 434 HE21 GLN 53 1HE2 GLN 53 -11.006 10.030 4.940 435 HE22 GLN 53 2HE2 GLN 53 -9.898 10.061 6.264 436 H GLY 54 H GLY 54 -11.419 16.025 2.394 437 HA2 GLY 54 2HA GLY 54 -10.923 15.980 -0.487 438 HA3 GLY 54 3HA GLY 54 -10.825 17.365 0.588 439 H ILE 55 H ILE 55 -9.185 14.195 0.392 440 HA ILE 55 HA ILE 55 -6.537 15.523 0.577 441 HB ILE 55 HB ILE 55 -7.220 12.645 1.369 442 HG12 ILE 55 2HG1 ILE 55 -6.680 15.022 3.210 443 HG13 ILE 55 3HG1 ILE 55 -8.263 14.316 2.915 444 HG21 ILE 55 1HG2 ILE 55 -4.656 14.236 1.779 445 HG22 ILE 55 2HG2 ILE 55 -4.883 12.926 0.618 446 HG23 ILE 55 3HG2 ILE 55 -4.949 12.591 2.348 447 HD11 ILE 55 1HD1 ILE 55 -5.936 12.934 4.248 448 HD12 ILE 55 2HD1 ILE 55 -7.519 12.219 3.928 449 HD13 ILE 55 3HD1 ILE 55 -7.376 13.584 5.033 450 H HIS 56 H HIS 56 -5.931 15.723 -1.558 451 HA HIS 56 HA HIS 56 -6.046 13.340 -3.312 452 HB2 HIS 56 2HB HIS 56 -7.003 15.453 -4.229 453 HB3 HIS 56 3HB HIS 56 -5.451 16.254 -4.006 454 HD1 HIS 56 HD1 HIS 56 -7.165 13.662 -6.126 455 HD2 HIS 56 HD2 HIS 56 -3.539 15.689 -5.991 456 HE1 HIS 56 HE1 HIS 56 -6.030 13.178 -8.311 457 HE2 HIS 56 HE2 HIS 56 -3.921 14.538 -8.270 458 H PHE 57 H PHE 57 -4.255 12.117 -3.049 459 HA PHE 57 HA PHE 57 -1.598 13.423 -2.764 460 HB2 PHE 57 2HB PHE 57 -0.842 11.299 -1.681 461 HB3 PHE 57 3HB PHE 57 -2.167 12.054 -0.797 462 HD1 PHE 57 HD1 PHE 57 -1.178 9.160 -2.851 463 HD2 PHE 57 HD2 PHE 57 -4.407 11.005 -0.719 464 HE1 PHE 57 HE1 PHE 57 -2.474 7.080 -2.997 465 HE2 PHE 57 HE2 PHE 57 -5.685 8.902 -0.872 466 HZ PHE 57 HZ PHE 57 -4.710 6.955 -2.016 467 H GLU 58 H GLU 58 0.175 12.322 -3.858 468 HA GLU 58 HA GLU 58 -0.462 10.243 -5.794 469 HB2 GLU 58 2HB GLU 58 -0.789 12.373 -7.062 470 HB3 GLU 58 3HB GLU 58 0.865 12.844 -6.692 471 HG2 GLU 58 2HG GLU 58 0.657 11.965 -8.985 472 HG3 GLU 58 3HG GLU 58 1.723 10.961 -7.998 473 H VAL 59 H VAL 59 1.202 8.900 -6.153 474 HA VAL 59 HA VAL 59 3.496 8.901 -4.437 475 HB VAL 59 HB VAL 59 2.716 7.148 -6.819 476 HG11 VAL 59 1HG1 VAL 59 5.148 7.063 -6.557 477 HG12 VAL 59 2HG1 VAL 59 4.426 5.535 -6.055 478 HG13 VAL 59 3HG1 VAL 59 4.975 6.690 -4.841 479 HG21 VAL 59 1HG2 VAL 59 2.514 6.601 -3.835 480 HG22 VAL 59 2HG2 VAL 59 2.074 5.477 -5.124 481 HG23 VAL 59 3HG2 VAL 59 1.167 6.976 -4.916 482 H LYS 60 H LYS 60 5.343 9.979 -4.825 483 HA LYS 60 HA LYS 60 6.055 10.882 -7.562 484 HB2 LYS 60 2HB LYS 60 7.012 11.899 -4.850 485 HB3 LYS 60 3HB LYS 60 7.483 12.564 -6.409 486 HG2 LYS 60 2HG LYS 60 4.676 12.566 -5.261 487 HG3 LYS 60 3HG LYS 60 5.773 13.946 -5.281 488 HD2 LYS 60 2HD LYS 60 4.665 12.548 -7.745 489 HD3 LYS 60 3HD LYS 60 4.035 14.046 -7.059 490 HE2 LYS 60 2HE LYS 60 6.863 13.704 -8.125 491 HE3 LYS 60 3HE LYS 60 5.528 14.419 -9.024 492 HZ1 LYS 60 1HZ LYS 60 6.598 15.490 -6.460 493 HZ2 LYS 60 2HZ LYS 60 5.381 16.182 -7.406 494 HZ3 LYS 60 3HZ LYS 60 6.962 16.092 -7.997 495 H ARG 61 H ARG 61 6.911 8.610 -5.176 496 HA ARG 61 HA ARG 61 9.376 7.799 -6.412 497 HB2 ARG 61 2HB ARG 61 10.510 9.527 -5.328 498 HB3 ARG 61 3HB ARG 61 9.381 9.588 -3.990 499 HG2 ARG 61 2HG ARG 61 10.436 7.506 -3.066 500 HG3 ARG 61 3HG ARG 61 11.640 7.582 -4.357 501 HD2 ARG 61 2HD ARG 61 12.594 9.571 -3.502 502 HD3 ARG 61 3HD ARG 61 11.165 9.960 -2.543 503 HE ARG 61 HE ARG 61 12.842 7.631 -1.845 504 HH11 ARG 61 1HH1 ARG 61 11.498 10.767 -0.940 505 HH12 ARG 61 2HH1 ARG 61 11.997 10.632 0.712 506 HH21 ARG 61 1HH2 ARG 61 13.501 7.490 0.326 507 HH22 ARG 61 2HH2 ARG 61 13.132 8.776 1.423 508 H VAL 62 H VAL 62 9.640 5.676 -6.046 509 HA VAL 62 HA VAL 62 8.621 4.430 -3.547 510 HB VAL 62 HB VAL 62 8.682 3.138 -6.334 511 HG11 VAL 62 1HG1 VAL 62 7.775 1.912 -3.696 512 HG12 VAL 62 2HG1 VAL 62 9.236 1.478 -4.586 513 HG13 VAL 62 3HG1 VAL 62 7.649 1.151 -5.283 514 HG21 VAL 62 1HG2 VAL 62 6.219 3.028 -6.139 515 HG22 VAL 62 2HG2 VAL 62 6.802 4.694 -6.092 516 HG23 VAL 62 3HG2 VAL 62 6.307 3.892 -4.601 517 H GLU 63 H GLU 63 10.166 3.280 -2.439 518 HA GLU 63 HA GLU 63 12.586 2.293 -3.824 519 HB2 GLU 63 2HB GLU 63 12.565 3.729 -1.116 520 HB3 GLU 63 3HB GLU 63 13.962 2.910 -1.810 521 HG2 GLU 63 2HG GLU 63 13.862 4.526 -3.736 522 HG3 GLU 63 3HG GLU 63 12.587 5.388 -2.874 523 H VAL 64 H VAL 64 12.307 0.119 -3.665 524 HA VAL 64 HA VAL 64 11.142 -1.036 -1.206 525 HB VAL 64 HB VAL 64 9.978 -1.666 -3.276 526 HG11 VAL 64 1HG1 VAL 64 12.551 -2.956 -4.235 527 HG12 VAL 64 2HG1 VAL 64 11.791 -1.519 -4.918 528 HG13 VAL 64 3HG1 VAL 64 10.972 -3.078 -5.020 529 HG21 VAL 64 1HG2 VAL 64 9.934 -4.105 -2.965 530 HG22 VAL 64 2HG2 VAL 64 10.004 -3.262 -1.417 531 HG23 VAL 64 3HG2 VAL 64 11.454 -4.026 -2.069 532 H THR 65 H THR 65 12.497 -1.879 0.237 533 HA THR 65 HA THR 65 14.864 -3.417 -0.589 534 HB THR 65 HB THR 65 14.958 -1.312 1.640 535 HG1 THR 65 HG1 THR 65 15.844 -1.325 -1.046 536 HG21 THR 65 1HG2 THR 65 17.372 -1.830 1.738 537 HG22 THR 65 2HG2 THR 65 17.174 -3.059 0.489 538 HG23 THR 65 3HG2 THR 65 16.425 -3.286 2.070 539 H THR 66 H THR 66 15.132 -5.243 0.663 540 HA THR 66 HA THR 66 12.969 -5.861 2.570 541 HB THR 66 HB THR 66 13.689 -8.278 2.105 542 HG1 THR 66 HG1 THR 66 15.412 -8.563 0.914 543 HG21 THR 66 1HG2 THR 66 11.727 -7.288 0.971 544 HG22 THR 66 2HG2 THR 66 12.590 -8.394 -0.096 545 HG23 THR 66 3HG2 THR 66 12.777 -6.650 -0.298 546 H ASP 67 H ASP 67 13.366 -6.303 4.609 547 HA ASP 67 HA ASP 67 16.119 -6.697 5.639 548 HB2 ASP 67 2HB ASP 67 15.145 -4.612 6.477 549 HB3 ASP 67 3HB ASP 67 13.652 -5.433 6.920 550 H GLY 68 H GLY 68 16.385 -8.827 5.938 551 HA2 GLY 68 2HA GLY 68 16.146 -10.956 6.774 552 HA3 GLY 68 3HA GLY 68 14.664 -10.449 7.576 553 H ASN 69 H ASN 69 12.819 -11.224 6.776 554 HA ASN 69 HA ASN 69 12.599 -12.098 3.938 555 HB2 ASN 69 2HB ASN 69 11.004 -12.997 6.396 556 HB3 ASN 69 3HB ASN 69 10.618 -13.453 4.739 557 HD21 ASN 69 1HD2 ASN 69 10.814 -15.629 5.338 558 HD22 ASN 69 2HD2 ASN 69 12.356 -16.382 5.526 559 H THR 70 H THR 70 11.808 -9.712 6.134 560 HA THR 70 HA THR 70 9.086 -9.146 5.250 561 HB THR 70 HB THR 70 10.831 -7.762 7.346 562 HG1 THR 70 HG1 THR 70 10.407 -9.506 8.439 563 HG21 THR 70 1HG2 THR 70 7.838 -7.588 6.871 564 HG22 THR 70 2HG2 THR 70 9.008 -6.303 6.571 565 HG23 THR 70 3HG2 THR 70 8.710 -6.855 8.220 566 H VAL 71 H VAL 71 8.612 -7.536 3.842 567 HA VAL 71 HA VAL 71 10.790 -6.140 2.470 568 HB VAL 71 HB VAL 71 7.812 -6.117 1.784 569 HG11 VAL 71 1HG1 VAL 71 9.103 -4.332 0.695 570 HG12 VAL 71 2HG1 VAL 71 8.588 -5.531 -0.491 571 HG13 VAL 71 3HG1 VAL 71 10.257 -5.516 0.077 572 HG21 VAL 71 1HG2 VAL 71 8.576 -8.441 1.844 573 HG22 VAL 71 2HG2 VAL 71 9.932 -8.047 0.786 574 HG23 VAL 71 3HG2 VAL 71 8.279 -7.934 0.179 575 H ASN 72 H ASN 72 10.971 -3.907 2.360 576 HA ASN 72 HA ASN 72 9.147 -2.222 3.996 577 HB2 ASN 72 2HB ASN 72 12.141 -1.700 3.614 578 HB3 ASN 72 3HB ASN 72 11.039 -0.884 4.719 579 HD21 ASN 72 1HD2 ASN 72 12.879 -3.792 4.149 580 HD22 ASN 72 2HD2 ASN 72 12.746 -4.419 5.749 581 H VAL 73 H VAL 73 8.002 -1.051 2.516 582 HA VAL 73 HA VAL 73 9.395 -0.012 0.121 583 HB VAL 73 HB VAL 73 6.378 -0.132 0.628 584 HG11 VAL 73 1HG1 VAL 73 7.928 0.650 -1.877 585 HG12 VAL 73 2HG1 VAL 73 6.995 1.741 -0.849 586 HG13 VAL 73 3HG1 VAL 73 6.174 0.481 -1.771 587 HG21 VAL 73 1HG2 VAL 73 8.112 -1.883 -1.158 588 HG22 VAL 73 2HG2 VAL 73 6.349 -1.946 -1.060 589 HG23 VAL 73 3HG2 VAL 73 7.328 -2.388 0.341 590 H THR 74 H THR 74 10.380 1.804 0.771 591 HA THR 74 HA THR 74 9.037 3.886 2.307 592 HB THR 74 HB THR 74 11.783 3.852 0.958 593 HG1 THR 74 HG1 THR 74 12.422 3.631 3.267 594 HG21 THR 74 1HG2 THR 74 10.673 5.783 3.037 595 HG22 THR 74 2HG2 THR 74 10.985 6.167 1.340 596 HG23 THR 74 3HG2 THR 74 12.324 5.769 2.418 597 H VAL 75 H VAL 75 7.511 4.924 1.169 598 HA VAL 75 HA VAL 75 7.994 5.716 -1.643 599 HB VAL 75 HB VAL 75 6.322 4.002 -1.690 600 HG11 VAL 75 1HG1 VAL 75 4.755 5.456 0.447 601 HG12 VAL 75 2HG1 VAL 75 5.686 3.973 0.673 602 HG13 VAL 75 3HG1 VAL 75 4.277 3.973 -0.381 603 HG21 VAL 75 1HG2 VAL 75 4.920 6.678 -1.931 604 HG22 VAL 75 2HG2 VAL 75 4.323 5.154 -2.591 605 HG23 VAL 75 3HG2 VAL 75 5.829 5.846 -3.194 606 H GLU 76 H GLU 76 8.165 7.816 -1.870 607 HA GLU 76 HA GLU 76 7.211 9.739 0.082 608 HB2 GLU 76 2HB GLU 76 9.408 9.983 -1.126 609 HB3 GLU 76 3HB GLU 76 8.525 10.181 -2.635 610 HG2 GLU 76 2HG GLU 76 9.175 12.358 -1.891 611 HG3 GLU 76 3HG GLU 76 7.432 12.223 -1.637 612 H LEU 77 H LEU 77 5.088 10.251 0.026 613 HA LEU 77 HA LEU 77 3.680 10.510 -2.559 614 HB2 LEU 77 2HB LEU 77 2.548 10.456 0.276 615 HB3 LEU 77 3HB LEU 77 1.603 10.770 -1.165 616 HG LEU 77 HG LEU 77 2.252 8.418 -1.981 617 HD11 LEU 77 1HD1 LEU 77 3.176 8.093 0.865 618 HD12 LEU 77 2HD1 LEU 77 4.169 7.999 -0.587 619 HD13 LEU 77 3HD1 LEU 77 2.925 6.788 -0.294 620 HD21 LEU 77 1HD2 LEU 77 0.630 8.595 0.573 621 HD22 LEU 77 2HD2 LEU 77 0.522 7.331 -0.657 622 HD23 LEU 77 3HD2 LEU 77 0.039 8.980 -1.045 623 H GLU 78 H GLU 78 2.329 12.407 -2.783 624 HA GLU 78 HA GLU 78 3.282 14.834 -1.399 625 HB2 GLU 78 2HB GLU 78 4.374 14.404 -3.693 626 HB3 GLU 78 3HB GLU 78 2.782 14.640 -4.402 627 HG2 GLU 78 2HG GLU 78 2.727 16.937 -3.609 628 HG3 GLU 78 3HG GLU 78 4.254 16.710 -2.752 629 H GLU 79 H GLU 79 1.477 15.439 -0.345 630 HA GLU 79 HA GLU 79 -1.175 14.762 -1.437 631 HB2 GLU 79 2HB GLU 79 -0.522 15.413 1.469 632 HB3 GLU 79 3HB GLU 79 -1.968 14.637 0.831 633 HG2 GLU 79 2HG GLU 79 -0.429 12.713 0.107 634 HG3 GLU 79 3HG GLU 79 0.812 13.475 1.097 635 H THR 80 H THR 80 -1.883 16.504 -2.538 636 HA THR 80 HA THR 80 -1.845 19.207 -1.454 637 HB THR 80 HB THR 80 -3.248 18.100 -3.939 638 HG1 THR 80 HG1 THR 80 -0.982 19.682 -4.214 639 HG21 THR 80 1HG2 THR 80 -4.206 20.260 -3.179 640 HG22 THR 80 2HG2 THR 80 -3.335 20.442 -4.700 641 HG23 THR 80 3HG2 THR 80 -2.586 20.981 -3.199 642 H THR 81 H THR 81 -3.148 19.390 0.257 643 HA THR 81 HA THR 81 -5.995 18.698 0.048 644 HB THR 81 HB THR 81 -5.093 16.862 1.368 645 HG1 THR 81 HG1 THR 81 -6.883 17.183 2.425 646 HG21 THR 81 1HG2 THR 81 -2.961 17.864 2.119 647 HG22 THR 81 2HG2 THR 81 -3.850 17.162 3.473 648 HG23 THR 81 3HG2 THR 81 -3.845 18.910 3.236 649 H GLY 82 H GLY 82 -7.229 20.408 0.521 650 HA2 GLY 82 2HA GLY 82 -7.909 22.513 1.150 651 HA3 GLY 82 3HA GLY 82 -6.714 22.437 2.435 652 H GLY 83 H GLY 83 -5.798 22.076 -0.911 653 HA2 GLY 83 2HA GLY 83 -4.819 23.526 -2.434 654 HA3 GLY 83 3HA GLY 83 -4.927 24.838 -1.271 655 H THR 84 H THR 84 -3.602 22.575 0.590 656 HA THR 84 HA THR 84 -0.903 23.651 0.207 657 HB THR 84 HB THR 84 -2.075 22.038 2.529 658 HG1 THR 84 HG1 THR 84 -2.889 24.287 2.041 659 HG21 THR 84 1HG2 THR 84 -0.102 22.806 3.807 660 HG22 THR 84 2HG2 THR 84 0.522 23.633 2.381 661 HG23 THR 84 3HG2 THR 84 0.414 21.872 2.400 662 H THR 85 H THR 85 0.391 22.457 -1.085 663 HA THR 85 HA THR 85 0.166 19.559 -1.340 664 HB THR 85 HB THR 85 2.115 21.491 -2.699 665 HG1 THR 85 HG1 THR 85 0.509 21.994 -3.968 666 HG21 THR 85 1HG2 THR 85 1.278 18.671 -3.450 667 HG22 THR 85 2HG2 THR 85 2.840 19.130 -2.771 668 HG23 THR 85 3HG2 THR 85 2.371 19.707 -4.371 669 H THR 86 H THR 86 1.111 18.425 0.303 670 HA THR 86 HA THR 86 3.763 19.240 1.351 671 HB THR 86 HB THR 86 1.521 17.958 2.997 672 HG1 THR 86 HG1 THR 86 0.946 19.934 3.610 673 HG21 THR 86 1HG2 THR 86 3.822 17.517 3.852 674 HG22 THR 86 2HG2 THR 86 2.906 18.564 4.936 675 HG23 THR 86 3HG2 THR 86 4.134 19.258 3.878 676 H ASN 87 H ASN 87 5.266 17.699 1.122 677 HA ASN 87 HA ASN 87 4.638 15.069 0.123 678 HB2 ASN 87 2HB ASN 87 7.258 16.449 0.828 679 HB3 ASN 87 3HB ASN 87 7.193 14.779 0.270 680 HD21 ASN 87 1HD2 ASN 87 6.640 14.358 -1.893 681 HD22 ASN 87 2HD2 ASN 87 6.615 15.601 -3.099 682 H THR 88 H THR 88 4.073 13.468 1.364 683 HA THR 88 HA THR 88 5.001 13.212 4.163 684 HB THR 88 HB THR 88 2.344 12.292 2.974 685 HG1 THR 88 HG1 THR 88 1.468 14.083 3.810 686 HG21 THR 88 1HG2 THR 88 3.309 12.305 5.860 687 HG22 THR 88 2HG2 THR 88 3.018 10.875 4.870 688 HG23 THR 88 3HG2 THR 88 1.668 11.910 5.336 689 H THR 89 H THR 89 6.306 11.480 4.417 690 HA THR 89 HA THR 89 6.530 9.462 2.321 691 HB THR 89 HB THR 89 8.196 9.651 4.878 692 HG1 THR 89 HG1 THR 89 8.223 11.236 2.601 693 HG21 THR 89 1HG2 THR 89 8.791 8.402 2.162 694 HG22 THR 89 2HG2 THR 89 8.431 7.515 3.649 695 HG23 THR 89 3HG2 THR 89 9.908 8.475 3.521 696 H TYR 90 H TYR 90 5.365 7.637 2.454 697 HA TYR 90 HA TYR 90 4.502 6.551 5.075 698 HB2 TYR 90 2HB TYR 90 3.529 6.026 2.224 699 HB3 TYR 90 3HB TYR 90 3.035 5.048 3.596 700 HD1 TYR 90 HD1 TYR 90 3.144 8.720 2.680 701 HD2 TYR 90 HD2 TYR 90 0.941 5.538 4.485 702 HE1 TYR 90 HE1 TYR 90 1.236 10.233 3.022 703 HE2 TYR 90 HE2 TYR 90 -0.958 7.047 4.834 704 HH TYR 90 HH TYR 90 -1.162 10.163 3.405 705 H GLU 91 H GLU 91 5.396 4.649 5.753 706 HA GLU 91 HA GLU 91 7.228 3.158 3.947 707 HB2 GLU 91 2HB GLU 91 7.375 3.521 6.975 708 HB3 GLU 91 3HB GLU 91 8.462 2.517 6.021 709 HG2 GLU 91 2HG GLU 91 9.281 4.548 4.840 710 HG3 GLU 91 3HG GLU 91 8.197 5.534 5.824 711 H LEU 92 H LEU 92 5.994 1.482 3.284 712 HA LEU 92 HA LEU 92 4.111 0.165 5.125 713 HB2 LEU 92 2HB LEU 92 4.472 -0.097 2.105 714 HB3 LEU 92 3HB LEU 92 3.303 -0.999 3.052 715 HG LEU 92 HG LEU 92 2.256 1.250 3.702 716 HD11 LEU 92 1HD1 LEU 92 2.656 3.176 2.274 717 HD12 LEU 92 2HD1 LEU 92 3.949 2.311 1.438 718 HD13 LEU 92 3HD1 LEU 92 4.117 2.722 3.146 719 HD21 LEU 92 1HD2 LEU 92 1.224 -0.242 2.066 720 HD22 LEU 92 2HD2 LEU 92 2.182 0.488 0.777 721 HD23 LEU 92 3HD2 LEU 92 0.972 1.449 1.630 722 H ARG 93 H ARG 93 5.167 -1.279 6.327 723 HA ARG 93 HA ARG 93 7.308 -2.927 5.208 724 HB2 ARG 93 2HB ARG 93 7.555 -1.675 7.434 725 HB3 ARG 93 3HB ARG 93 6.394 -2.808 8.121 726 HG2 ARG 93 2HG ARG 93 7.882 -4.677 7.688 727 HG3 ARG 93 3HG ARG 93 8.999 -3.635 6.806 728 HD2 ARG 93 2HD ARG 93 9.325 -2.346 8.973 729 HD3 ARG 93 3HD ARG 93 8.416 -3.626 9.782 730 HE ARG 93 HE ARG 93 11.069 -3.882 8.515 731 HH11 ARG 93 1HH1 ARG 93 8.560 -5.348 10.499 732 HH12 ARG 93 2HH1 ARG 93 9.581 -6.641 11.040 733 HH21 ARG 93 1HH2 ARG 93 12.411 -5.592 9.262 734 HH22 ARG 93 2HH2 ARG 93 11.745 -6.774 10.342 735 H PHE 94 H PHE 94 6.482 -4.575 4.113 736 HA PHE 94 HA PHE 94 4.004 -5.916 4.853 737 HB2 PHE 94 2HB PHE 94 5.912 -6.189 2.486 738 HB3 PHE 94 3HB PHE 94 4.473 -7.183 2.681 739 HD1 PHE 94 HD1 PHE 94 5.729 -3.818 1.867 740 HD2 PHE 94 HD2 PHE 94 2.235 -6.230 2.424 741 HE1 PHE 94 HE1 PHE 94 4.359 -2.098 0.768 742 HE2 PHE 94 HE2 PHE 94 0.876 -4.500 1.329 743 HZ PHE 94 HZ PHE 94 1.936 -2.438 0.502 744 H GLU 95 H GLU 95 4.157 -7.403 6.390 745 HA GLU 95 HA GLU 95 6.605 -8.947 6.799 746 HB2 GLU 95 2HB GLU 95 5.512 -7.769 8.705 747 HB3 GLU 95 3HB GLU 95 4.096 -8.800 8.509 748 HG2 GLU 95 2HG GLU 95 5.319 -10.763 9.161 749 HG3 GLU 95 3HG GLU 95 6.862 -9.918 9.058 750 H VAL 96 H VAL 96 6.802 -10.933 6.071 751 HA VAL 96 HA VAL 96 4.505 -12.234 4.776 752 HB VAL 96 HB VAL 96 6.028 -13.376 3.343 753 HG11 VAL 96 1HG1 VAL 96 7.287 -11.556 2.285 754 HG12 VAL 96 2HG1 VAL 96 7.121 -10.565 3.733 755 HG13 VAL 96 3HG1 VAL 96 5.694 -11.002 2.793 756 HG21 VAL 96 1HG2 VAL 96 7.723 -14.112 4.946 757 HG22 VAL 96 2HG2 VAL 96 8.337 -12.466 5.104 758 HG23 VAL 96 3HG2 VAL 96 8.497 -13.325 3.569 759 H ASP 97 H ASP 97 3.995 -14.354 5.130 760 HA ASP 97 HA ASP 97 5.347 -15.834 7.316 761 HB2 ASP 97 2HB ASP 97 2.391 -15.603 6.662 762 HB3 ASP 97 3HB ASP 97 2.995 -16.994 7.534 763 H GLY 98 H GLY 98 6.721 -16.866 5.984 764 HA2 GLY 98 2HA GLY 98 7.408 -18.722 4.814 765 HA3 GLY 98 3HA GLY 98 5.735 -19.105 4.440 766 H ASP 99 H ASP 99 5.417 -19.092 2.300 767 HA ASP 99 HA ASP 99 7.195 -17.561 0.532 768 HB2 ASP 99 2HB ASP 99 5.192 -19.772 -0.082 769 HB3 ASP 99 3HB ASP 99 6.242 -19.011 -1.276 770 H THR 100 H THR 100 4.487 -16.698 2.012 771 HA THR 100 HA THR 100 3.663 -14.901 -0.164 772 HB THR 100 HB THR 100 1.992 -16.805 -0.093 773 HG1 THR 100 HG1 THR 100 0.147 -15.204 0.233 774 HG21 THR 100 1HG2 THR 100 0.381 -16.945 1.761 775 HG22 THR 100 2HG2 THR 100 1.232 -15.670 2.635 776 HG23 THR 100 3HG2 THR 100 2.011 -17.234 2.371 777 H ILE 101 H ILE 101 2.369 -13.065 0.661 778 HA ILE 101 HA ILE 101 3.547 -12.042 3.155 779 HB ILE 101 HB ILE 101 1.950 -10.408 1.134 780 HG12 ILE 101 2HG1 ILE 101 4.973 -10.820 1.017 781 HG13 ILE 101 3HG1 ILE 101 3.831 -11.626 -0.049 782 HG21 ILE 101 1HG2 ILE 101 2.385 -9.356 3.319 783 HG22 ILE 101 2HG2 ILE 101 3.259 -8.516 2.037 784 HG23 ILE 101 3HG2 ILE 101 4.120 -9.618 3.115 785 HD11 ILE 101 1HD1 ILE 101 4.265 -8.647 0.119 786 HD12 ILE 101 2HD1 ILE 101 3.139 -9.481 -0.956 787 HD13 ILE 101 3HD1 ILE 101 4.874 -9.733 -1.130 788 H ARG 102 H ARG 102 2.199 -11.289 4.848 789 HA ARG 102 HA ARG 102 -0.665 -12.040 4.671 790 HB2 ARG 102 2HB ARG 102 1.361 -12.791 6.809 791 HB3 ARG 102 3HB ARG 102 -0.375 -12.880 7.096 792 HG2 ARG 102 2HG ARG 102 1.103 -14.376 4.907 793 HG3 ARG 102 3HG ARG 102 0.607 -15.067 6.456 794 HD2 ARG 102 2HD ARG 102 -1.742 -14.688 5.907 795 HD3 ARG 102 3HD ARG 102 -1.282 -13.871 4.418 796 HE ARG 102 HE ARG 102 -0.337 -16.573 4.563 797 HH11 ARG 102 1HH1 ARG 102 -3.134 -14.568 3.742 798 HH12 ARG 102 2HH1 ARG 102 -3.808 -15.749 2.662 799 HH21 ARG 102 1HH2 ARG 102 -1.217 -18.081 3.125 800 HH22 ARG 102 2HH2 ARG 102 -2.712 -17.753 2.310 801 H ARG 103 H ARG 103 1.734 -9.858 6.044 802 HA ARG 103 HA ARG 103 -0.437 -8.229 7.229 803 HB2 ARG 103 2HB ARG 103 2.293 -8.709 8.519 804 HB3 ARG 103 3HB ARG 103 0.995 -7.712 9.168 805 HG2 ARG 103 2HG ARG 103 -0.405 -9.781 9.406 806 HG3 ARG 103 3HG ARG 103 0.974 -10.730 8.853 807 HD2 ARG 103 2HD ARG 103 2.288 -9.844 10.818 808 HD3 ARG 103 3HD ARG 103 0.809 -9.066 11.393 809 HE ARG 103 HE ARG 103 0.828 -11.974 10.936 810 HH11 ARG 103 1HH1 ARG 103 0.629 -9.310 13.253 811 HH12 ARG 103 2HH1 ARG 103 0.108 -10.329 14.560 812 HH21 ARG 103 1HH2 ARG 103 0.216 -13.303 12.670 813 HH22 ARG 103 2HH2 ARG 103 -0.125 -12.598 14.223 814 H VAL 104 H VAL 104 0.129 -5.982 7.511 815 HA VAL 104 HA VAL 104 2.533 -4.924 6.241 816 HB VAL 104 HB VAL 104 0.918 -4.881 4.384 817 HG11 VAL 104 1HG1 VAL 104 -0.915 -3.230 6.152 818 HG12 VAL 104 2HG1 VAL 104 -1.191 -4.889 5.619 819 HG13 VAL 104 3HG1 VAL 104 -1.165 -3.581 4.437 820 HG21 VAL 104 1HG2 VAL 104 1.409 -2.083 5.475 821 HG22 VAL 104 2HG2 VAL 104 1.031 -2.486 3.797 822 HG23 VAL 104 3HG2 VAL 104 2.540 -3.045 4.518 823 H THR 105 H THR 105 3.283 -3.147 7.314 824 HA THR 105 HA THR 105 1.517 -1.756 9.251 825 HB THR 105 HB THR 105 4.532 -2.232 9.447 826 HG1 THR 105 HG1 THR 105 2.274 -3.441 10.664 827 HG21 THR 105 1HG2 THR 105 2.648 -0.851 11.406 828 HG22 THR 105 2HG2 THR 105 3.921 -0.065 10.462 829 HG23 THR 105 3HG2 THR 105 4.337 -1.241 11.711 830 H VAL 106 H VAL 106 0.926 0.042 8.190 831 HA VAL 106 HA VAL 106 2.752 1.450 6.385 832 HB VAL 106 HB VAL 106 -0.134 2.186 7.091 833 HG11 VAL 106 1HG1 VAL 106 1.606 3.021 4.743 834 HG12 VAL 106 2HG1 VAL 106 1.152 4.037 6.112 835 HG13 VAL 106 3HG1 VAL 106 -0.083 3.477 4.982 836 HG21 VAL 106 1HG2 VAL 106 0.830 0.496 4.752 837 HG22 VAL 106 2HG2 VAL 106 -0.825 1.056 5.003 838 HG23 VAL 106 3HG2 VAL 106 -0.099 -0.085 6.136 839 H THR 107 H THR 107 4.229 2.614 7.534 840 HA THR 107 HA THR 107 3.443 4.188 9.876 841 HB THR 107 HB THR 107 6.200 3.667 8.661 842 HG1 THR 107 HG1 THR 107 4.956 2.547 10.986 843 HG21 THR 107 1HG2 THR 107 7.091 4.499 10.820 844 HG22 THR 107 2HG2 THR 107 5.461 4.948 11.321 845 HG23 THR 107 3HG2 THR 107 6.216 5.760 9.948 846 H GLN 108 H GLN 108 2.495 6.028 9.287 847 HA GLN 108 HA GLN 108 3.221 7.511 6.892 848 HB2 GLN 108 2HB GLN 108 0.845 7.237 7.460 849 HB3 GLN 108 3HB GLN 108 1.098 7.994 9.028 850 HG2 GLN 108 2HG GLN 108 1.676 10.117 7.894 851 HG3 GLN 108 3HG GLN 108 1.375 9.361 6.329 852 HE21 GLN 108 1HE2 GLN 108 0.086 11.678 7.535 853 HE22 GLN 108 2HE2 GLN 108 -1.600 11.320 7.580 854 H ASN 109 H ASN 109 5.282 8.336 7.327 855 HA ASN 109 HA ASN 109 5.823 10.026 9.618 856 HB2 ASN 109 2HB ASN 109 7.386 9.669 7.018 857 HB3 ASN 109 3HB ASN 109 7.935 10.615 8.393 858 HD21 ASN 109 1HD2 ASN 109 6.452 7.342 8.232 859 HD22 ASN 109 2HD2 ASN 109 7.789 6.549 8.977 860 H GLY 110 H GLY 110 4.258 11.597 9.634 861 HA2 GLY 110 2HA GLY 110 3.633 13.272 7.351 862 HA3 GLY 110 3HA GLY 110 3.045 13.460 8.996 863 H GLY 111 H GLY 111 6.184 13.577 7.330 864 HA2 GLY 111 2HA GLY 111 7.031 16.107 7.512 865 HA3 GLY 111 3HA GLY 111 7.229 15.567 9.180 866 H SER 112 H SER 112 9.232 16.281 7.088 867 HA SER 112 HA SER 112 10.737 13.745 6.824 868 HB2 SER 112 2HB SER 112 10.248 14.930 4.697 869 HB3 SER 112 3HB SER 112 11.022 16.388 5.313 870 HG SER 112 HG SER 112 12.218 14.726 3.906 871 H LEU 113 H LEU 113 13.148 14.054 6.955 872 HA LEU 113 HA LEU 113 14.004 15.491 9.311 873 HB2 LEU 113 2HB LEU 113 16.111 14.474 9.049 874 HB3 LEU 113 3HB LEU 113 14.946 13.252 8.585 875 HG LEU 113 HG LEU 113 16.554 14.911 6.593 876 HD11 LEU 113 1HD1 LEU 113 17.076 12.095 7.579 877 HD12 LEU 113 2HD1 LEU 113 18.037 13.529 7.948 878 HD13 LEU 113 3HD1 LEU 113 17.957 12.929 6.294 879 HD21 LEU 113 1HD2 LEU 113 15.890 13.215 4.940 880 HD22 LEU 113 2HD2 LEU 113 14.476 14.020 5.617 881 HD23 LEU 113 3HD2 LEU 113 14.905 12.394 6.154 882 H GLU 114 H GLU 114 13.655 16.236 6.022 883 HA GLU 114 HA GLU 114 15.624 18.218 5.577 884 HB2 GLU 114 2HB GLU 114 12.836 17.936 4.376 885 HB3 GLU 114 3HB GLU 114 14.116 18.955 3.723 886 HG2 GLU 114 2HG GLU 114 15.465 17.001 3.180 887 HG3 GLU 114 3HG GLU 114 14.308 15.938 3.985 888 H HIS 115 H HIS 115 15.865 19.934 6.888 889 HA HIS 115 HA HIS 115 13.556 21.674 7.497 890 HB2 HIS 115 2HB HIS 115 14.239 21.945 9.829 891 HB3 HIS 115 3HB HIS 115 14.026 20.224 9.518 892 HD1 HIS 115 HD1 HIS 115 16.226 18.769 9.406 893 HD2 HIS 115 HD2 HIS 115 16.824 22.704 10.596 894 HE1 HIS 115 HE1 HIS 115 18.561 18.852 10.316 895 HE2 HIS 115 HE2 HIS 115 18.969 21.282 10.784 896 H HIS 116 H HIS 116 14.205 23.884 7.998 897 HA HIS 116 HA HIS 116 16.858 24.674 6.926 898 HB2 HIS 116 2HB HIS 116 14.283 26.280 7.285 899 HB3 HIS 116 3HB HIS 116 15.822 26.991 6.804 900 HD1 HIS 116 HD1 HIS 116 16.341 26.999 4.365 901 HD2 HIS 116 HD2 HIS 116 13.279 24.349 5.295 902 HE1 HIS 116 HE1 HIS 116 15.493 26.145 2.170 903 HE2 HIS 116 HE2 HIS 116 13.728 24.459 2.756 904 H HIS 117 H HIS 117 14.599 26.033 9.358 905 HA HIS 117 HA HIS 117 16.562 25.856 11.521 906 HB2 HIS 117 2HB HIS 117 15.581 28.511 10.378 907 HB3 HIS 117 3HB HIS 117 16.175 28.373 12.028 908 HD1 HIS 117 HD1 HIS 117 17.352 29.488 8.919 909 HD2 HIS 117 HD2 HIS 117 18.974 27.039 11.861 910 HE1 HIS 117 HE1 HIS 117 19.834 29.515 8.537 911 HE2 HIS 117 HE2 HIS 117 20.738 27.851 10.170 912 H HIS 118 H HIS 118 15.300 27.468 13.386 913 HA HIS 118 HA HIS 118 13.649 27.579 14.908 914 HB2 HIS 118 2HB HIS 118 11.783 26.873 12.595 915 HB3 HIS 118 3HB HIS 118 11.255 27.437 14.178 916 HD1 HIS 118 HD1 HIS 118 11.510 28.720 10.964 917 HD2 HIS 118 HD2 HIS 118 12.825 30.127 14.652 918 HE1 HIS 118 HE1 HIS 118 11.770 31.203 10.692 919 HE2 HIS 118 HE2 HIS 118 12.464 32.033 12.955 920 H HIS 119 H HIS 119 15.168 25.366 14.895 921 HA HIS 119 HA HIS 119 13.915 22.846 14.809 922 HB2 HIS 119 2HB HIS 119 16.366 23.102 14.804 923 HB3 HIS 119 3HB HIS 119 16.333 23.778 16.429 924 HD1 HIS 119 HD1 HIS 119 17.295 22.059 17.973 925 HD2 HIS 119 HD2 HIS 119 14.886 20.320 15.065 926 HE1 HIS 119 HE1 HIS 119 17.263 19.601 18.491 927 HE2 HIS 119 HE2 HIS 119 15.721 18.601 16.782 928 H HIS 120 H HIS 120 14.094 25.269 17.361 929 HA HIS 120 HA HIS 120 12.063 23.747 18.890 930 HB2 HIS 120 2HB HIS 120 12.925 24.589 21.017 931 HB3 HIS 120 3HB HIS 120 14.241 23.803 20.154 932 HD1 HIS 120 HD1 HIS 120 13.219 27.028 21.631 933 HD2 HIS 120 HD2 HIS 120 16.219 25.645 19.107 934 HE1 HIS 120 HE1 HIS 120 14.924 28.862 21.534 935 HE2 HIS 120 HE2 HIS 120 16.606 28.082 19.849 Start of MODEL 7 1 H1 MET 1 1H MET 1 2.218 -16.835 -3.756 2 H2 MET 1 2H MET 1 3.185 -15.598 -3.118 3 H3 MET 1 3H MET 1 3.649 -17.208 -2.932 4 HA MET 1 HA MET 1 3.971 -17.480 -5.252 5 HB2 MET 1 2HB MET 1 3.903 -15.338 -6.699 6 HB3 MET 1 3HB MET 1 2.365 -16.054 -6.252 7 HG2 MET 1 2HG MET 1 2.317 -14.332 -4.338 8 HG3 MET 1 3HG MET 1 3.617 -13.519 -5.214 9 HE1 MET 1 1HE MET 1 3.107 -13.363 -8.179 10 HE2 MET 1 2HE MET 1 3.224 -11.903 -7.194 11 HE3 MET 1 3HE MET 1 1.904 -12.086 -8.352 12 H GLN 2 H GLN 2 6.084 -17.585 -5.664 13 HA GLN 2 HA GLN 2 7.917 -16.481 -3.728 14 HB2 GLN 2 2HB GLN 2 8.006 -18.859 -4.487 15 HB3 GLN 2 3HB GLN 2 8.443 -18.327 -6.104 16 HG2 GLN 2 2HG GLN 2 10.557 -17.388 -5.211 17 HG3 GLN 2 3HG GLN 2 10.100 -17.924 -3.596 18 HE21 GLN 2 1HE2 GLN 2 11.922 -19.243 -3.379 19 HE22 GLN 2 2HE2 GLN 2 12.104 -20.725 -4.251 20 H ASP 3 H ASP 3 7.531 -14.294 -4.374 21 HA ASP 3 HA ASP 3 9.643 -13.108 -5.794 22 HB2 ASP 3 2HB ASP 3 8.320 -11.935 -7.588 23 HB3 ASP 3 3HB ASP 3 8.426 -13.670 -7.843 24 H ILE 4 H ILE 4 8.610 -13.042 -3.273 25 HA ILE 4 HA ILE 4 6.569 -11.402 -2.494 26 HB ILE 4 HB ILE 4 9.184 -12.051 -1.090 27 HG12 ILE 4 2HG1 ILE 4 7.746 -14.000 -1.554 28 HG13 ILE 4 3HG1 ILE 4 7.820 -13.692 0.173 29 HG21 ILE 4 1HG2 ILE 4 8.212 -11.340 1.025 30 HG22 ILE 4 2HG2 ILE 4 6.754 -10.781 0.210 31 HG23 ILE 4 3HG2 ILE 4 8.298 -9.982 -0.090 32 HD11 ILE 4 1HD1 ILE 4 5.513 -13.010 -1.661 33 HD12 ILE 4 2HD1 ILE 4 5.584 -12.653 0.064 34 HD13 ILE 4 3HD1 ILE 4 5.575 -14.326 -0.487 35 H VAL 5 H VAL 5 9.883 -10.359 -3.270 36 HA VAL 5 HA VAL 5 9.754 -7.749 -2.130 37 HB VAL 5 HB VAL 5 11.496 -8.656 -4.473 38 HG11 VAL 5 1HG1 VAL 5 11.522 -6.212 -4.181 39 HG12 VAL 5 2HG1 VAL 5 13.081 -6.906 -3.737 40 HG13 VAL 5 3HG1 VAL 5 11.951 -6.400 -2.479 41 HG21 VAL 5 1HG2 VAL 5 12.078 -8.856 -1.495 42 HG22 VAL 5 2HG2 VAL 5 13.206 -9.258 -2.793 43 HG23 VAL 5 3HG2 VAL 5 11.734 -10.205 -2.581 44 H GLU 6 H GLU 6 9.260 -8.939 -5.446 45 HA GLU 6 HA GLU 6 8.463 -6.470 -6.632 46 HB2 GLU 6 2HB GLU 6 9.351 -8.359 -7.958 47 HB3 GLU 6 3HB GLU 6 7.957 -9.350 -7.538 48 HG2 GLU 6 2HG GLU 6 6.488 -7.795 -8.759 49 HG3 GLU 6 3HG GLU 6 7.879 -6.786 -9.162 50 H ALA 7 H ALA 7 6.724 -9.207 -5.211 51 HA ALA 7 HA ALA 7 4.077 -8.502 -5.843 52 HB1 ALA 7 1HB ALA 7 3.432 -10.103 -4.080 53 HB2 ALA 7 2HB ALA 7 5.100 -10.130 -3.495 54 HB3 ALA 7 3HB ALA 7 4.723 -10.746 -5.102 55 H ALA 8 H ALA 8 6.147 -7.607 -3.139 56 HA ALA 8 HA ALA 8 4.123 -6.312 -1.543 57 HB1 ALA 8 1HB ALA 8 6.110 -7.328 -0.513 58 HB2 ALA 8 2HB ALA 8 6.026 -5.609 -0.138 59 HB3 ALA 8 3HB ALA 8 7.152 -6.190 -1.369 60 H LYS 9 H LYS 9 6.523 -5.357 -3.915 61 HA LYS 9 HA LYS 9 6.292 -2.525 -3.708 62 HB2 LYS 9 2HB LYS 9 8.199 -3.656 -4.761 63 HB3 LYS 9 3HB LYS 9 7.154 -4.332 -6.005 64 HG2 LYS 9 2HG LYS 9 6.748 -2.094 -6.907 65 HG3 LYS 9 3HG LYS 9 7.730 -1.383 -5.619 66 HD2 LYS 9 2HD LYS 9 9.719 -2.569 -6.452 67 HD3 LYS 9 3HD LYS 9 8.758 -3.352 -7.708 68 HE2 LYS 9 2HE LYS 9 9.181 -0.360 -7.467 69 HE3 LYS 9 3HE LYS 9 10.095 -1.423 -8.531 70 HZ1 LYS 9 1HZ LYS 9 8.032 -1.995 -9.655 71 HZ2 LYS 9 2HZ LYS 9 8.324 -0.328 -9.709 72 HZ3 LYS 9 3HZ LYS 9 7.176 -0.947 -8.640 73 H GLN 10 H GLN 10 4.644 -4.971 -5.689 74 HA GLN 10 HA GLN 10 2.893 -3.232 -7.112 75 HB2 GLN 10 2HB GLN 10 2.554 -6.186 -6.400 76 HB3 GLN 10 3HB GLN 10 1.537 -5.310 -7.541 77 HG2 GLN 10 2HG GLN 10 4.497 -5.874 -7.853 78 HG3 GLN 10 3HG GLN 10 3.183 -6.676 -8.707 79 HE21 GLN 10 1HE2 GLN 10 2.027 -5.496 -10.296 80 HE22 GLN 10 2HE2 GLN 10 2.688 -4.084 -11.043 81 H ALA 11 H ALA 11 2.684 -4.942 -4.040 82 HA ALA 11 HA ALA 11 -0.036 -4.590 -3.440 83 HB1 ALA 11 1HB ALA 11 0.568 -5.208 -1.150 84 HB2 ALA 11 2HB ALA 11 2.274 -4.911 -1.501 85 HB3 ALA 11 3HB ALA 11 1.426 -6.224 -2.310 86 H ALA 12 H ALA 12 2.808 -2.689 -2.531 87 HA ALA 12 HA ALA 12 1.650 -0.851 -0.800 88 HB1 ALA 12 1HB ALA 12 3.625 0.551 -1.230 89 HB2 ALA 12 2HB ALA 12 4.007 -0.412 -2.659 90 HB3 ALA 12 3HB ALA 12 4.077 -1.149 -1.059 91 H ILE 13 H ILE 13 2.218 -0.560 -4.288 92 HA ILE 13 HA ILE 13 1.087 2.055 -4.560 93 HB ILE 13 HB ILE 13 1.723 -0.009 -6.721 94 HG12 ILE 13 2HG1 ILE 13 3.470 2.266 -5.634 95 HG13 ILE 13 3HG1 ILE 13 3.703 0.561 -5.270 96 HG21 ILE 13 1HG2 ILE 13 1.357 3.010 -6.960 97 HG22 ILE 13 2HG2 ILE 13 0.237 1.784 -7.558 98 HG23 ILE 13 3HG2 ILE 13 1.843 1.925 -8.268 99 HD11 ILE 13 1HD1 ILE 13 4.190 0.140 -7.640 100 HD12 ILE 13 2HD1 ILE 13 5.290 1.315 -6.919 101 HD13 ILE 13 3HD1 ILE 13 3.986 1.863 -7.972 102 H ALA 14 H ALA 14 -0.187 -1.232 -4.867 103 HA ALA 14 HA ALA 14 -2.667 -0.586 -6.147 104 HB1 ALA 14 1HB ALA 14 -1.738 -2.853 -6.181 105 HB2 ALA 14 2HB ALA 14 -3.372 -2.844 -5.520 106 HB3 ALA 14 3HB ALA 14 -1.983 -2.989 -4.439 107 H ILE 15 H ILE 15 -1.663 -0.775 -2.772 108 HA ILE 15 HA ILE 15 -4.144 -0.396 -1.484 109 HB ILE 15 HB ILE 15 -1.299 0.375 -0.685 110 HG12 ILE 15 2HG1 ILE 15 -3.129 -1.859 0.331 111 HG13 ILE 15 3HG1 ILE 15 -1.829 -2.074 -0.833 112 HG21 ILE 15 1HG2 ILE 15 -2.805 1.921 0.502 113 HG22 ILE 15 2HG2 ILE 15 -2.083 0.773 1.628 114 HG23 ILE 15 3HG2 ILE 15 -3.755 0.561 1.103 115 HD11 ILE 15 1HD1 ILE 15 -1.541 -1.269 2.052 116 HD12 ILE 15 2HD1 ILE 15 -0.212 -1.385 0.897 117 HD13 ILE 15 3HD1 ILE 15 -1.131 -2.825 1.332 118 H PHE 16 H PHE 16 -1.825 1.900 -2.902 119 HA PHE 16 HA PHE 16 -3.256 4.282 -2.145 120 HB2 PHE 16 2HB PHE 16 -1.115 3.978 -4.284 121 HB3 PHE 16 3HB PHE 16 -1.636 5.486 -3.529 122 HD1 PHE 16 HD1 PHE 16 -1.790 4.616 -0.638 123 HD2 PHE 16 HD2 PHE 16 1.170 3.851 -3.635 124 HE1 PHE 16 HE1 PHE 16 -0.084 4.334 1.113 125 HE2 PHE 16 HE2 PHE 16 2.857 3.573 -1.874 126 HZ PHE 16 HZ PHE 16 2.238 3.813 0.494 127 H GLN 17 H GLN 17 -3.250 2.200 -4.988 128 HA GLN 17 HA GLN 17 -4.853 3.745 -6.732 129 HB2 GLN 17 2HB GLN 17 -4.568 0.722 -6.449 130 HB3 GLN 17 3HB GLN 17 -5.480 1.488 -7.748 131 HG2 GLN 17 2HG GLN 17 -3.470 2.532 -8.627 132 HG3 GLN 17 3HG GLN 17 -2.529 1.971 -7.245 133 HE21 GLN 17 1HE2 GLN 17 -1.058 0.871 -8.574 134 HE22 GLN 17 2HE2 GLN 17 -1.465 -0.600 -9.379 135 H LEU 18 H LEU 18 -5.664 1.559 -4.071 136 HA LEU 18 HA LEU 18 -8.505 1.846 -4.302 137 HB2 LEU 18 2HB LEU 18 -6.787 0.876 -1.988 138 HB3 LEU 18 3HB LEU 18 -8.544 0.861 -1.970 139 HG LEU 18 HG LEU 18 -6.748 -0.756 -3.828 140 HD11 LEU 18 1HD1 LEU 18 -8.611 -1.679 -1.615 141 HD12 LEU 18 2HD1 LEU 18 -6.848 -1.667 -1.556 142 HD13 LEU 18 3HD1 LEU 18 -7.679 -2.727 -2.690 143 HD21 LEU 18 1HD2 LEU 18 -8.800 -1.785 -4.735 144 HD22 LEU 18 2HD2 LEU 18 -8.757 -0.057 -5.064 145 HD23 LEU 18 3HD2 LEU 18 -9.789 -0.679 -3.776 146 H TRP 19 H TRP 19 -5.999 3.520 -2.395 147 HA TRP 19 HA TRP 19 -7.692 5.056 -0.744 148 HB2 TRP 19 2HB TRP 19 -4.846 5.508 -1.679 149 HB3 TRP 19 3HB TRP 19 -5.659 6.654 -0.622 150 HD1 TRP 19 HD1 TRP 19 -6.590 3.150 0.345 151 HE1 TRP 19 HE1 TRP 19 -5.247 2.441 2.413 152 HE3 TRP 19 HE3 TRP 19 -3.145 6.953 0.446 153 HZ2 TRP 19 HZ2 TRP 19 -3.036 3.351 3.902 154 HZ3 TRP 19 HZ3 TRP 19 -1.452 6.956 2.238 155 HH2 TRP 19 HH2 TRP 19 -1.399 5.193 3.930 156 H LYS 20 H LYS 20 -6.680 5.594 -4.059 157 HA LYS 20 HA LYS 20 -8.041 8.210 -4.186 158 HB2 LYS 20 2HB LYS 20 -7.026 8.424 -6.427 159 HB3 LYS 20 3HB LYS 20 -5.808 8.077 -5.210 160 HG2 LYS 20 2HG LYS 20 -5.959 5.636 -5.944 161 HG3 LYS 20 3HG LYS 20 -6.905 6.203 -7.317 162 HD2 LYS 20 2HD LYS 20 -4.047 7.027 -6.654 163 HD3 LYS 20 3HD LYS 20 -4.525 5.889 -7.913 164 HE2 LYS 20 2HE LYS 20 -5.706 7.710 -9.102 165 HE3 LYS 20 3HE LYS 20 -5.232 8.842 -7.835 166 HZ1 LYS 20 1HZ LYS 20 -3.371 7.366 -9.624 167 HZ2 LYS 20 2HZ LYS 20 -2.907 8.449 -8.408 168 HZ3 LYS 20 3HZ LYS 20 -3.773 9.005 -9.751 169 H ASN 21 H ASN 21 -8.561 4.854 -5.008 170 HA ASN 21 HA ASN 21 -11.282 5.386 -5.867 171 HB2 ASN 21 2HB ASN 21 -10.002 5.621 -8.006 172 HB3 ASN 21 3HB ASN 21 -9.345 4.001 -7.796 173 HD21 ASN 21 1HD2 ASN 21 -10.809 2.218 -7.973 174 HD22 ASN 21 2HD2 ASN 21 -12.289 2.357 -8.844 175 HA PRO 22 HA PRO 22 -10.568 1.677 -3.156 176 HB2 PRO 22 2HB PRO 22 -12.977 1.716 -1.847 177 HB3 PRO 22 3HB PRO 22 -11.649 2.827 -1.443 178 HG2 PRO 22 2HG PRO 22 -14.036 3.318 -3.200 179 HG3 PRO 22 3HG PRO 22 -13.378 4.337 -1.899 180 HD2 PRO 22 2HD PRO 22 -12.843 4.861 -4.483 181 HD3 PRO 22 3HD PRO 22 -11.615 5.118 -3.222 182 H THR 23 H THR 23 -13.028 2.187 -5.520 183 HA THR 23 HA THR 23 -14.081 -0.538 -5.446 184 HB THR 23 HB THR 23 -15.576 0.297 -7.282 185 HG1 THR 23 HG1 THR 23 -14.673 1.884 -8.380 186 HG21 THR 23 1HG2 THR 23 -15.455 2.173 -4.878 187 HG22 THR 23 2HG2 THR 23 -16.308 0.628 -4.932 188 HG23 THR 23 3HG2 THR 23 -16.841 1.968 -5.949 189 H ASP 24 H ASP 24 -11.196 0.389 -6.389 190 HA ASP 24 HA ASP 24 -11.029 -0.215 -9.167 191 HB2 ASP 24 2HB ASP 24 -9.367 1.173 -7.773 192 HB3 ASP 24 3HB ASP 24 -8.706 -0.350 -7.196 193 HA PRO 25 HA PRO 25 -11.498 -4.654 -8.371 194 HB2 PRO 25 2HB PRO 25 -11.745 -5.507 -10.950 195 HB3 PRO 25 3HB PRO 25 -13.030 -4.598 -10.134 196 HG2 PRO 25 2HG PRO 25 -10.947 -3.588 -12.052 197 HG3 PRO 25 3HG PRO 25 -12.698 -3.261 -12.014 198 HD2 PRO 25 2HD PRO 25 -10.872 -1.521 -10.984 199 HD3 PRO 25 3HD PRO 25 -12.512 -1.695 -10.320 200 H GLU 26 H GLU 26 -8.987 -3.278 -10.432 201 HA GLU 26 HA GLU 26 -7.504 -5.725 -10.804 202 HB2 GLU 26 2HB GLU 26 -6.680 -2.837 -11.332 203 HB3 GLU 26 3HB GLU 26 -5.803 -4.268 -11.870 204 HG2 GLU 26 2HG GLU 26 -7.802 -4.929 -13.221 205 HG3 GLU 26 3HG GLU 26 -8.576 -3.418 -12.753 206 H ALA 27 H ALA 27 -7.210 -2.860 -8.765 207 HA ALA 27 HA ALA 27 -4.745 -3.396 -7.539 208 HB1 ALA 27 1HB ALA 27 -5.457 -1.771 -5.828 209 HB2 ALA 27 2HB ALA 27 -7.117 -1.856 -6.422 210 HB3 ALA 27 3HB ALA 27 -5.847 -1.195 -7.451 211 H GLN 28 H GLN 28 -8.065 -4.003 -6.309 212 HA GLN 28 HA GLN 28 -7.234 -5.425 -3.987 213 HB2 GLN 28 2HB GLN 28 -9.585 -5.964 -3.658 214 HB3 GLN 28 3HB GLN 28 -9.428 -4.293 -4.188 215 HG2 GLN 28 2HG GLN 28 -10.034 -4.997 -6.497 216 HG3 GLN 28 3HG GLN 28 -10.278 -6.638 -5.908 217 HE21 GLN 28 1HE2 GLN 28 -11.498 -3.378 -5.889 218 HE22 GLN 28 2HE2 GLN 28 -13.065 -3.752 -5.271 219 H GLU 29 H GLU 29 -7.782 -6.463 -7.295 220 HA GLU 29 HA GLU 29 -8.143 -9.241 -6.973 221 HB2 GLU 29 2HB GLU 29 -8.462 -8.087 -9.157 222 HB3 GLU 29 3HB GLU 29 -6.732 -7.786 -9.253 223 HG2 GLU 29 2HG GLU 29 -6.371 -10.281 -9.271 224 HG3 GLU 29 3HG GLU 29 -8.120 -10.483 -9.363 225 H LEU 30 H LEU 30 -5.140 -7.399 -7.625 226 HA LEU 30 HA LEU 30 -3.467 -9.698 -7.347 227 HB2 LEU 30 2HB LEU 30 -1.579 -8.187 -7.605 228 HB3 LEU 30 3HB LEU 30 -2.829 -7.842 -8.776 229 HG LEU 30 HG LEU 30 -3.497 -5.939 -6.998 230 HD11 LEU 30 1HD1 LEU 30 -1.849 -6.482 -5.306 231 HD12 LEU 30 2HD1 LEU 30 -1.506 -4.891 -5.975 232 HD13 LEU 30 3HD1 LEU 30 -0.532 -6.280 -6.464 233 HD21 LEU 30 1HD2 LEU 30 -1.222 -5.625 -8.985 234 HD22 LEU 30 2HD2 LEU 30 -2.180 -4.313 -8.296 235 HD23 LEU 30 3HD2 LEU 30 -2.947 -5.503 -9.340 236 H LEU 31 H LEU 31 -4.502 -7.157 -5.110 237 HA LEU 31 HA LEU 31 -2.842 -7.767 -2.909 238 HB2 LEU 31 2HB LEU 31 -5.634 -6.570 -2.969 239 HB3 LEU 31 3HB LEU 31 -4.653 -6.663 -1.517 240 HG LEU 31 HG LEU 31 -3.996 -5.045 -4.011 241 HD11 LEU 31 1HD1 LEU 31 -5.816 -4.054 -2.719 242 HD12 LEU 31 2HD1 LEU 31 -4.362 -3.068 -2.592 243 HD13 LEU 31 3HD1 LEU 31 -4.839 -4.114 -1.251 244 HD21 LEU 31 1HD2 LEU 31 -2.444 -5.214 -1.416 245 HD22 LEU 31 2HD2 LEU 31 -2.098 -4.134 -2.768 246 HD23 LEU 31 3HD2 LEU 31 -1.938 -5.876 -2.971 247 H ASN 32 H ASN 32 -5.765 -9.308 -4.063 248 HA ASN 32 HA ASN 32 -6.354 -10.849 -1.708 249 HB2 ASN 32 2HB ASN 32 -7.919 -10.271 -3.719 250 HB3 ASN 32 3HB ASN 32 -7.164 -11.620 -4.552 251 HD21 ASN 32 1HD2 ASN 32 -9.929 -11.308 -3.847 252 HD22 ASN 32 2HD2 ASN 32 -10.349 -12.630 -2.818 253 H LYS 33 H LYS 33 -4.368 -11.267 -4.545 254 HA LYS 33 HA LYS 33 -3.881 -14.100 -4.261 255 HB2 LYS 33 2HB LYS 33 -2.622 -12.005 -6.088 256 HB3 LYS 33 3HB LYS 33 -2.414 -13.750 -6.250 257 HG2 LYS 33 2HG LYS 33 -4.717 -14.063 -6.866 258 HG3 LYS 33 3HG LYS 33 -5.134 -12.423 -6.371 259 HD2 LYS 33 2HD LYS 33 -5.083 -12.579 -8.807 260 HD3 LYS 33 3HD LYS 33 -3.809 -11.500 -8.243 261 HE2 LYS 33 2HE LYS 33 -2.156 -13.321 -8.545 262 HE3 LYS 33 3HE LYS 33 -3.440 -14.384 -9.130 263 HZ1 LYS 33 1HZ LYS 33 -2.521 -11.861 -10.400 264 HZ2 LYS 33 2HZ LYS 33 -3.822 -12.799 -10.940 265 HZ3 LYS 33 3HZ LYS 33 -2.256 -13.433 -10.973 266 H ILE 34 H ILE 34 -2.129 -11.093 -3.500 267 HA ILE 34 HA ILE 34 0.321 -12.586 -2.834 268 HB ILE 34 HB ILE 34 1.485 -10.409 -2.823 269 HG12 ILE 34 2HG1 ILE 34 -1.304 -9.272 -3.299 270 HG13 ILE 34 3HG1 ILE 34 -0.186 -8.872 -2.005 271 HG21 ILE 34 1HG2 ILE 34 1.276 -11.640 -4.950 272 HG22 ILE 34 2HG2 ILE 34 1.302 -9.903 -5.231 273 HG23 ILE 34 3HG2 ILE 34 -0.226 -10.785 -5.313 274 HD11 ILE 34 1HD1 ILE 34 0.115 -8.160 -4.907 275 HD12 ILE 34 2HD1 ILE 34 1.268 -7.770 -3.629 276 HD13 ILE 34 3HD1 ILE 34 -0.355 -7.082 -3.596 277 H LEU 35 H LEU 35 -2.007 -10.372 -1.345 278 HA LEU 35 HA LEU 35 -0.813 -10.742 1.329 279 HB2 LEU 35 2HB LEU 35 -3.040 -8.814 0.523 280 HB3 LEU 35 3HB LEU 35 -2.155 -8.825 2.038 281 HG LEU 35 HG LEU 35 -1.069 -8.017 -0.686 282 HD11 LEU 35 1HD1 LEU 35 -0.865 -5.775 0.242 283 HD12 LEU 35 2HD1 LEU 35 -1.532 -6.326 1.780 284 HD13 LEU 35 3HD1 LEU 35 -2.536 -6.332 0.330 285 HD21 LEU 35 1HD2 LEU 35 1.025 -7.398 0.449 286 HD22 LEU 35 2HD2 LEU 35 0.713 -9.128 0.556 287 HD23 LEU 35 3HD2 LEU 35 0.418 -8.094 1.955 288 H SER 36 H SER 36 -2.746 -10.670 3.057 289 HA SER 36 HA SER 36 -4.590 -12.843 2.618 290 HB2 SER 36 2HB SER 36 -4.692 -10.748 4.842 291 HB3 SER 36 3HB SER 36 -5.380 -12.373 4.862 292 HG SER 36 HG SER 36 -2.867 -12.718 4.332 293 HA PRO 37 HA PRO 37 -7.950 -10.378 0.729 294 HB2 PRO 37 2HB PRO 37 -10.148 -11.870 1.499 295 HB3 PRO 37 3HB PRO 37 -9.025 -12.384 0.222 296 HG2 PRO 37 2HG PRO 37 -9.078 -13.211 3.117 297 HG3 PRO 37 3HG PRO 37 -8.918 -14.222 1.658 298 HD2 PRO 37 2HD PRO 37 -6.753 -13.544 3.101 299 HD3 PRO 37 3HD PRO 37 -6.682 -13.637 1.329 300 H ASP 38 H ASP 38 -7.842 -11.075 4.122 301 HA ASP 38 HA ASP 38 -9.739 -9.218 5.120 302 HB2 ASP 38 2HB ASP 38 -7.181 -10.233 6.466 303 HB3 ASP 38 3HB ASP 38 -8.546 -9.472 7.278 304 H VAL 39 H VAL 39 -6.411 -8.893 4.033 305 HA VAL 39 HA VAL 39 -5.833 -6.386 5.278 306 HB VAL 39 HB VAL 39 -4.463 -7.733 2.903 307 HG11 VAL 39 1HG1 VAL 39 -3.553 -5.342 4.552 308 HG12 VAL 39 2HG1 VAL 39 -4.000 -5.338 2.846 309 HG13 VAL 39 3HG1 VAL 39 -2.557 -6.200 3.372 310 HG21 VAL 39 1HG2 VAL 39 -4.322 -9.038 5.008 311 HG22 VAL 39 2HG2 VAL 39 -3.629 -7.646 5.836 312 HG23 VAL 39 3HG2 VAL 39 -2.744 -8.422 4.521 313 H LEU 40 H LEU 40 -6.784 -7.264 1.911 314 HA LEU 40 HA LEU 40 -6.948 -4.574 0.990 315 HB2 LEU 40 2HB LEU 40 -8.155 -5.422 -0.953 316 HB3 LEU 40 3HB LEU 40 -6.770 -6.425 -0.590 317 HG LEU 40 HG LEU 40 -8.582 -7.964 0.631 318 HD11 LEU 40 1HD1 LEU 40 -10.762 -8.041 -0.519 319 HD12 LEU 40 2HD1 LEU 40 -10.352 -6.573 -1.410 320 HD13 LEU 40 3HD1 LEU 40 -10.541 -6.518 0.343 321 HD21 LEU 40 1HD2 LEU 40 -8.812 -9.298 -1.388 322 HD22 LEU 40 2HD2 LEU 40 -7.175 -8.661 -1.246 323 HD23 LEU 40 3HD2 LEU 40 -8.311 -7.926 -2.378 324 H ASP 41 H ASP 41 -9.119 -6.611 2.783 325 HA ASP 41 HA ASP 41 -11.567 -5.264 2.340 326 HB2 ASP 41 2HB ASP 41 -11.373 -7.617 3.133 327 HB3 ASP 41 3HB ASP 41 -10.732 -7.046 4.666 328 H GLN 42 H GLN 42 -9.090 -4.970 4.892 329 HA GLN 42 HA GLN 42 -10.513 -2.880 6.297 330 HB2 GLN 42 2HB GLN 42 -8.479 -2.700 7.711 331 HB3 GLN 42 3HB GLN 42 -9.052 -4.357 7.572 332 HG2 GLN 42 2HG GLN 42 -7.287 -4.790 5.864 333 HG3 GLN 42 3HG GLN 42 -6.695 -3.149 6.104 334 HE21 GLN 42 1HE2 GLN 42 -4.665 -3.963 6.671 335 HE22 GLN 42 2HE2 GLN 42 -4.361 -4.694 8.204 336 H VAL 43 H VAL 43 -8.019 -3.026 3.796 337 HA VAL 43 HA VAL 43 -7.136 -0.327 3.863 338 HB VAL 43 HB VAL 43 -7.036 -2.421 1.641 339 HG11 VAL 43 1HG1 VAL 43 -5.863 0.395 1.483 340 HG12 VAL 43 2HG1 VAL 43 -7.161 -0.256 0.481 341 HG13 VAL 43 3HG1 VAL 43 -5.535 -0.915 0.345 342 HG21 VAL 43 1HG2 VAL 43 -4.822 -1.172 3.330 343 HG22 VAL 43 2HG2 VAL 43 -4.613 -2.432 2.112 344 HG23 VAL 43 3HG2 VAL 43 -5.528 -2.772 3.578 345 H ARG 44 H ARG 44 -9.711 -1.919 1.946 346 HA ARG 44 HA ARG 44 -10.297 0.316 0.324 347 HB2 ARG 44 2HB ARG 44 -12.383 -0.907 -0.342 348 HB3 ARG 44 3HB ARG 44 -10.912 -1.844 -0.494 349 HG2 ARG 44 2HG ARG 44 -12.371 -3.427 0.367 350 HG3 ARG 44 3HG ARG 44 -11.578 -2.852 1.827 351 HD2 ARG 44 2HD ARG 44 -13.564 -1.355 2.234 352 HD3 ARG 44 3HD ARG 44 -14.352 -2.102 0.841 353 HE ARG 44 HE ARG 44 -13.473 -4.052 2.751 354 HH11 ARG 44 1HH1 ARG 44 -16.099 -1.788 2.132 355 HH12 ARG 44 2HH1 ARG 44 -17.232 -2.681 3.098 356 HH21 ARG 44 1HH2 ARG 44 -14.964 -5.145 4.072 357 HH22 ARG 44 2HH2 ARG 44 -16.601 -4.557 4.186 358 H GLU 45 H GLU 45 -11.440 -0.523 3.536 359 HA GLU 45 HA GLU 45 -13.646 1.302 3.599 360 HB2 GLU 45 2HB GLU 45 -12.112 -0.211 5.711 361 HB3 GLU 45 3HB GLU 45 -13.299 1.000 6.186 362 HG2 GLU 45 2HG GLU 45 -13.862 -1.435 4.466 363 HG3 GLU 45 3HG GLU 45 -14.235 -1.276 6.181 364 H HIS 46 H HIS 46 -10.303 1.556 4.830 365 HA HIS 46 HA HIS 46 -10.506 4.256 5.758 366 HB2 HIS 46 2HB HIS 46 -8.137 2.487 5.030 367 HB3 HIS 46 3HB HIS 46 -7.925 4.137 5.616 368 HD1 HIS 46 HD1 HIS 46 -7.661 4.312 8.091 369 HD2 HIS 46 HD2 HIS 46 -9.718 0.866 7.027 370 HE1 HIS 46 HE1 HIS 46 -8.063 3.080 10.230 371 HE2 HIS 46 HE2 HIS 46 -9.430 1.072 9.586 372 H ALA 47 H ALA 47 -9.774 2.783 2.706 373 HA ALA 47 HA ALA 47 -8.828 4.988 1.223 374 HB1 ALA 47 1HB ALA 47 -9.393 3.586 -0.723 375 HB2 ALA 47 2HB ALA 47 -10.306 2.497 0.320 376 HB3 ALA 47 3HB ALA 47 -8.561 2.661 0.525 377 H ARG 48 H ARG 48 -12.108 3.715 1.791 378 HA ARG 48 HA ARG 48 -13.526 5.518 0.092 379 HB2 ARG 48 2HB ARG 48 -14.432 3.866 2.481 380 HB3 ARG 48 3HB ARG 48 -15.543 4.818 1.497 381 HG2 ARG 48 2HG ARG 48 -14.954 3.467 -0.480 382 HG3 ARG 48 3HG ARG 48 -13.829 2.526 0.494 383 HD2 ARG 48 2HD ARG 48 -15.860 1.255 0.233 384 HD3 ARG 48 3HD ARG 48 -15.766 1.788 1.916 385 HE ARG 48 HE ARG 48 -17.240 3.711 0.569 386 HH11 ARG 48 1HH1 ARG 48 -17.621 0.275 1.234 387 HH12 ARG 48 2HH1 ARG 48 -19.354 0.346 1.198 388 HH21 ARG 48 1HH2 ARG 48 -19.494 3.785 0.508 389 HH22 ARG 48 2HH2 ARG 48 -20.420 2.343 0.782 390 H GLU 49 H GLU 49 -12.377 5.736 3.417 391 HA GLU 49 HA GLU 49 -13.898 8.072 4.114 392 HB2 GLU 49 2HB GLU 49 -11.370 6.944 5.377 393 HB3 GLU 49 3HB GLU 49 -12.382 8.204 6.080 394 HG2 GLU 49 2HG GLU 49 -13.118 5.307 5.605 395 HG3 GLU 49 3HG GLU 49 -12.907 6.116 7.155 396 H LEU 50 H LEU 50 -10.739 7.517 2.667 397 HA LEU 50 HA LEU 50 -9.918 10.273 2.589 398 HB2 LEU 50 2HB LEU 50 -8.993 7.905 0.910 399 HB3 LEU 50 3HB LEU 50 -8.197 9.470 0.978 400 HG LEU 50 HG LEU 50 -8.424 7.470 3.263 401 HD11 LEU 50 1HD1 LEU 50 -5.981 7.285 3.071 402 HD12 LEU 50 2HD1 LEU 50 -5.999 8.386 1.692 403 HD13 LEU 50 3HD1 LEU 50 -6.786 6.812 1.576 404 HD21 LEU 50 1HD2 LEU 50 -7.098 10.207 3.302 405 HD22 LEU 50 2HD2 LEU 50 -7.015 9.005 4.591 406 HD23 LEU 50 3HD2 LEU 50 -8.558 9.746 4.181 407 H GLN 51 H GLN 51 -11.751 8.143 0.454 408 HA GLN 51 HA GLN 51 -11.987 9.907 -1.784 409 HB2 GLN 51 2HB GLN 51 -12.407 7.476 -1.993 410 HB3 GLN 51 3HB GLN 51 -13.792 7.600 -0.912 411 HG2 GLN 51 2HG GLN 51 -14.905 9.095 -2.578 412 HG3 GLN 51 3HG GLN 51 -13.535 8.861 -3.663 413 HE21 GLN 51 1HE2 GLN 51 -14.921 7.974 -5.252 414 HE22 GLN 51 2HE2 GLN 51 -15.570 6.386 -5.111 415 H LYS 52 H LYS 52 -13.869 9.375 1.146 416 HA LYS 52 HA LYS 52 -16.122 11.004 0.670 417 HB2 LYS 52 2HB LYS 52 -16.037 9.404 2.537 418 HB3 LYS 52 3HB LYS 52 -14.698 10.274 3.269 419 HG2 LYS 52 2HG LYS 52 -16.208 12.217 3.658 420 HG3 LYS 52 3HG LYS 52 -17.553 11.290 3.002 421 HD2 LYS 52 2HD LYS 52 -15.945 10.351 5.413 422 HD3 LYS 52 3HD LYS 52 -17.340 11.412 5.571 423 HE2 LYS 52 2HE LYS 52 -18.096 9.186 6.005 424 HE3 LYS 52 3HE LYS 52 -18.718 9.633 4.419 425 HZ1 LYS 52 1HZ LYS 52 -16.841 8.359 3.447 426 HZ2 LYS 52 2HZ LYS 52 -17.922 7.419 4.329 427 HZ3 LYS 52 3HZ LYS 52 -16.428 7.828 5.007 428 H GLN 53 H GLN 53 -12.898 11.676 1.901 429 HA GLN 53 HA GLN 53 -13.365 14.544 2.281 430 HB2 GLN 53 2HB GLN 53 -10.880 12.827 2.680 431 HB3 GLN 53 3HB GLN 53 -11.033 14.526 3.133 432 HG2 GLN 53 2HG GLN 53 -12.769 13.958 4.768 433 HG3 GLN 53 3HG GLN 53 -12.694 12.263 4.275 434 HE21 GLN 53 1HE2 GLN 53 -10.833 11.033 4.849 435 HE22 GLN 53 2HE2 GLN 53 -9.772 11.544 6.113 436 H GLY 54 H GLY 54 -11.448 15.929 1.421 437 HA2 GLY 54 2HA GLY 54 -10.969 15.379 -1.449 438 HA3 GLY 54 3HA GLY 54 -10.929 16.959 -0.671 439 H ILE 55 H ILE 55 -9.425 14.090 0.696 440 HA ILE 55 HA ILE 55 -6.846 15.389 0.826 441 HB ILE 55 HB ILE 55 -7.582 12.525 1.608 442 HG12 ILE 55 2HG1 ILE 55 -7.342 15.054 3.320 443 HG13 ILE 55 3HG1 ILE 55 -8.824 14.171 2.976 444 HG21 ILE 55 1HG2 ILE 55 -5.080 14.156 2.251 445 HG22 ILE 55 2HG2 ILE 55 -5.162 12.785 1.145 446 HG23 ILE 55 3HG2 ILE 55 -5.432 12.541 2.869 447 HD11 ILE 55 1HD1 ILE 55 -6.492 13.179 4.600 448 HD12 ILE 55 2HD1 ILE 55 -7.955 12.257 4.239 449 HD13 ILE 55 3HD1 ILE 55 -8.052 13.726 5.211 450 H HIS 56 H HIS 56 -5.905 15.605 -1.100 451 HA HIS 56 HA HIS 56 -5.802 13.399 -3.048 452 HB2 HIS 56 2HB HIS 56 -4.656 16.215 -3.357 453 HB3 HIS 56 3HB HIS 56 -4.994 15.048 -4.634 454 HD1 HIS 56 HD1 HIS 56 -6.177 18.085 -4.045 455 HD2 HIS 56 HD2 HIS 56 -8.160 14.432 -3.845 456 HE1 HIS 56 HE1 HIS 56 -8.613 18.619 -4.339 457 HE2 HIS 56 HE2 HIS 56 -9.759 16.384 -4.407 458 H PHE 57 H PHE 57 -3.789 12.582 -3.777 459 HA PHE 57 HA PHE 57 -1.291 13.466 -2.553 460 HB2 PHE 57 2HB PHE 57 -0.646 11.109 -1.930 461 HB3 PHE 57 3HB PHE 57 -1.968 11.736 -0.959 462 HD1 PHE 57 HD1 PHE 57 -1.056 9.308 -3.605 463 HD2 PHE 57 HD2 PHE 57 -4.202 10.756 -1.091 464 HE1 PHE 57 HE1 PHE 57 -2.431 7.356 -4.195 465 HE2 PHE 57 HE2 PHE 57 -5.565 8.796 -1.689 466 HZ PHE 57 HZ PHE 57 -4.682 7.103 -3.241 467 H GLU 58 H GLU 58 0.592 12.546 -3.697 468 HA GLU 58 HA GLU 58 0.034 11.223 -6.269 469 HB2 GLU 58 2HB GLU 58 0.166 13.613 -6.831 470 HB3 GLU 58 3HB GLU 58 1.689 13.763 -5.969 471 HG2 GLU 58 2HG GLU 58 2.111 13.726 -8.349 472 HG3 GLU 58 3HG GLU 58 2.772 12.267 -7.617 473 H VAL 59 H VAL 59 1.492 9.696 -6.769 474 HA VAL 59 HA VAL 59 3.530 8.890 -4.938 475 HB VAL 59 HB VAL 59 3.052 7.990 -7.823 476 HG11 VAL 59 1HG1 VAL 59 5.314 7.419 -7.060 477 HG12 VAL 59 2HG1 VAL 59 4.334 5.964 -7.209 478 HG13 VAL 59 3HG1 VAL 59 4.661 6.646 -5.613 479 HG21 VAL 59 1HG2 VAL 59 1.064 7.617 -6.401 480 HG22 VAL 59 2HG2 VAL 59 2.046 6.735 -5.231 481 HG23 VAL 59 3HG2 VAL 59 1.811 6.084 -6.855 482 H LYS 60 H LYS 60 5.536 9.642 -4.809 483 HA LYS 60 HA LYS 60 6.674 11.411 -6.906 484 HB2 LYS 60 2HB LYS 60 7.222 11.377 -3.906 485 HB3 LYS 60 3HB LYS 60 7.867 12.539 -5.058 486 HG2 LYS 60 2HG LYS 60 4.926 12.201 -4.432 487 HG3 LYS 60 3HG LYS 60 5.969 13.391 -3.660 488 HD2 LYS 60 2HD LYS 60 5.447 13.264 -6.655 489 HD3 LYS 60 3HD LYS 60 4.565 14.306 -5.538 490 HE2 LYS 60 2HE LYS 60 6.784 15.342 -4.893 491 HE3 LYS 60 3HE LYS 60 7.524 14.424 -6.206 492 HZ1 LYS 60 1HZ LYS 60 6.032 15.554 -7.757 493 HZ2 LYS 60 2HZ LYS 60 6.992 16.661 -6.907 494 HZ3 LYS 60 3HZ LYS 60 5.369 16.450 -6.483 495 H ARG 61 H ARG 61 7.426 8.975 -4.448 496 HA ARG 61 HA ARG 61 9.748 8.005 -5.980 497 HB2 ARG 61 2HB ARG 61 10.651 9.582 -4.293 498 HB3 ARG 61 3HB ARG 61 9.760 8.767 -3.019 499 HG2 ARG 61 2HG ARG 61 12.147 8.212 -2.965 500 HG3 ARG 61 3HG ARG 61 11.163 6.777 -3.261 501 HD2 ARG 61 2HD ARG 61 13.183 6.821 -4.680 502 HD3 ARG 61 3HD ARG 61 11.708 6.868 -5.653 503 HE ARG 61 HE ARG 61 12.938 9.434 -5.009 504 HH11 ARG 61 1HH1 ARG 61 12.628 6.886 -7.415 505 HH12 ARG 61 2HH1 ARG 61 13.156 7.893 -8.720 506 HH21 ARG 61 1HH2 ARG 61 13.595 10.753 -6.719 507 HH22 ARG 61 2HH2 ARG 61 13.708 10.104 -8.328 508 H VAL 62 H VAL 62 9.749 5.780 -6.061 509 HA VAL 62 HA VAL 62 8.409 4.248 -3.899 510 HB VAL 62 HB VAL 62 8.544 3.388 -6.845 511 HG11 VAL 62 1HG1 VAL 62 7.113 1.477 -6.159 512 HG12 VAL 62 2HG1 VAL 62 7.210 2.000 -4.476 513 HG13 VAL 62 3HG1 VAL 62 8.663 1.458 -5.316 514 HG21 VAL 62 1HG2 VAL 62 6.885 5.183 -6.541 515 HG22 VAL 62 2HG2 VAL 62 6.110 4.275 -5.243 516 HG23 VAL 62 3HG2 VAL 62 6.088 3.650 -6.895 517 H GLU 63 H GLU 63 9.986 3.288 -2.753 518 HA GLU 63 HA GLU 63 12.272 2.018 -4.149 519 HB2 GLU 63 2HB GLU 63 12.290 3.503 -1.485 520 HB3 GLU 63 3HB GLU 63 13.634 2.532 -2.085 521 HG2 GLU 63 2HG GLU 63 13.909 4.056 -3.988 522 HG3 GLU 63 3HG GLU 63 12.518 4.994 -3.456 523 H VAL 64 H VAL 64 12.553 -0.091 -3.615 524 HA VAL 64 HA VAL 64 10.954 -1.217 -1.390 525 HB VAL 64 HB VAL 64 9.913 -1.821 -3.522 526 HG11 VAL 64 1HG1 VAL 64 11.808 -1.634 -5.065 527 HG12 VAL 64 2HG1 VAL 64 11.015 -3.197 -5.243 528 HG13 VAL 64 3HG1 VAL 64 12.546 -3.083 -4.373 529 HG21 VAL 64 1HG2 VAL 64 9.801 -3.477 -1.729 530 HG22 VAL 64 2HG2 VAL 64 11.312 -4.211 -2.273 531 HG23 VAL 64 3HG2 VAL 64 9.878 -4.279 -3.297 532 H THR 65 H THR 65 12.346 -1.700 0.169 533 HA THR 65 HA THR 65 14.984 -2.910 -0.453 534 HB THR 65 HB THR 65 15.735 -2.137 1.775 535 HG1 THR 65 HG1 THR 65 13.258 -0.754 2.044 536 HG21 THR 65 1HG2 THR 65 14.470 0.153 0.218 537 HG22 THR 65 2HG2 THR 65 16.056 -0.556 -0.098 538 HG23 THR 65 3HG2 THR 65 15.757 0.300 1.413 539 H THR 66 H THR 66 15.699 -4.562 1.148 540 HA THR 66 HA THR 66 13.448 -6.031 2.410 541 HB THR 66 HB THR 66 14.846 -8.133 2.086 542 HG1 THR 66 HG1 THR 66 16.269 -6.550 0.186 543 HG21 THR 66 1HG2 THR 66 14.226 -8.464 -0.278 544 HG22 THR 66 2HG2 THR 66 14.000 -6.723 -0.474 545 HG23 THR 66 3HG2 THR 66 12.935 -7.641 0.593 546 H ASP 67 H ASP 67 13.747 -6.836 4.407 547 HA ASP 67 HA ASP 67 16.210 -6.345 5.929 548 HB2 ASP 67 2HB ASP 67 15.010 -4.328 6.400 549 HB3 ASP 67 3HB ASP 67 13.459 -5.156 6.456 550 H GLY 68 H GLY 68 16.589 -8.478 6.145 551 HA2 GLY 68 2HA GLY 68 16.337 -10.707 6.625 552 HA3 GLY 68 3HA GLY 68 14.878 -10.316 7.537 553 H ASN 69 H ASN 69 13.231 -11.476 6.709 554 HA ASN 69 HA ASN 69 12.843 -11.720 3.797 555 HB2 ASN 69 2HB ASN 69 11.366 -13.006 6.131 556 HB3 ASN 69 3HB ASN 69 10.909 -13.221 4.443 557 HD21 ASN 69 1HD2 ASN 69 12.239 -14.463 3.090 558 HD22 ASN 69 2HD2 ASN 69 13.427 -15.550 3.718 559 H THR 70 H THR 70 12.066 -9.585 6.254 560 HA THR 70 HA THR 70 9.345 -8.951 5.401 561 HB THR 70 HB THR 70 11.110 -7.595 7.499 562 HG1 THR 70 HG1 THR 70 10.675 -9.374 8.554 563 HG21 THR 70 1HG2 THR 70 9.281 -6.131 6.762 564 HG22 THR 70 2HG2 THR 70 8.967 -6.731 8.390 565 HG23 THR 70 3HG2 THR 70 8.116 -7.429 7.013 566 H VAL 71 H VAL 71 8.961 -7.514 3.849 567 HA VAL 71 HA VAL 71 11.124 -5.994 2.607 568 HB VAL 71 HB VAL 71 8.189 -6.344 1.781 569 HG11 VAL 71 1HG1 VAL 71 10.520 -5.187 0.193 570 HG12 VAL 71 2HG1 VAL 71 9.141 -4.287 0.826 571 HG13 VAL 71 3HG1 VAL 71 8.898 -5.492 -0.435 572 HG21 VAL 71 1HG2 VAL 71 9.420 -8.478 1.758 573 HG22 VAL 71 2HG2 VAL 71 10.681 -7.767 0.751 574 HG23 VAL 71 3HG2 VAL 71 9.046 -7.963 0.112 575 H ASN 72 H ASN 72 11.285 -3.799 2.660 576 HA ASN 72 HA ASN 72 9.299 -2.185 4.166 577 HB2 ASN 72 2HB ASN 72 12.353 -2.024 4.093 578 HB3 ASN 72 3HB ASN 72 11.346 -0.730 4.733 579 HD21 ASN 72 1HD2 ASN 72 12.027 -4.205 5.134 580 HD22 ASN 72 2HD2 ASN 72 11.774 -4.224 6.840 581 H VAL 73 H VAL 73 8.167 -1.348 2.439 582 HA VAL 73 HA VAL 73 9.581 -0.198 0.138 583 HB VAL 73 HB VAL 73 6.564 -0.395 0.643 584 HG11 VAL 73 1HG1 VAL 73 7.095 1.469 -0.875 585 HG12 VAL 73 2HG1 VAL 73 6.332 0.162 -1.777 586 HG13 VAL 73 3HG1 VAL 73 8.077 0.405 -1.886 587 HG21 VAL 73 1HG2 VAL 73 8.367 -2.120 -1.108 588 HG22 VAL 73 2HG2 VAL 73 6.607 -2.241 -1.016 589 HG23 VAL 73 3HG2 VAL 73 7.589 -2.620 0.397 590 H THR 74 H THR 74 10.501 1.694 0.688 591 HA THR 74 HA THR 74 9.079 3.762 2.192 592 HB THR 74 HB THR 74 11.770 4.013 0.747 593 HG1 THR 74 HG1 THR 74 11.118 2.567 2.977 594 HG21 THR 74 1HG2 THR 74 10.772 6.162 1.470 595 HG22 THR 74 2HG2 THR 74 12.204 5.786 2.429 596 HG23 THR 74 3HG2 THR 74 10.597 5.538 3.111 597 H VAL 75 H VAL 75 7.458 4.619 1.007 598 HA VAL 75 HA VAL 75 7.927 5.504 -1.774 599 HB VAL 75 HB VAL 75 6.482 3.592 -1.917 600 HG11 VAL 75 1HG1 VAL 75 5.761 3.415 0.410 601 HG12 VAL 75 2HG1 VAL 75 4.388 3.293 -0.687 602 HG13 VAL 75 3HG1 VAL 75 4.677 4.794 0.195 603 HG21 VAL 75 1HG2 VAL 75 4.759 6.083 -2.164 604 HG22 VAL 75 2HG2 VAL 75 4.412 4.521 -2.910 605 HG23 VAL 75 3HG2 VAL 75 5.839 5.432 -3.400 606 H GLU 76 H GLU 76 7.945 7.620 -1.838 607 HA GLU 76 HA GLU 76 6.786 9.309 0.232 608 HB2 GLU 76 2HB GLU 76 9.054 9.741 -0.689 609 HB3 GLU 76 3HB GLU 76 8.374 9.970 -2.295 610 HG2 GLU 76 2HG GLU 76 7.165 11.961 -1.505 611 HG3 GLU 76 3HG GLU 76 7.825 11.728 0.114 612 H LEU 77 H LEU 77 4.766 10.141 0.075 613 HA LEU 77 HA LEU 77 3.554 10.586 -2.591 614 HB2 LEU 77 2HB LEU 77 2.017 9.848 -0.060 615 HB3 LEU 77 3HB LEU 77 1.323 10.228 -1.626 616 HG LEU 77 HG LEU 77 2.713 8.137 -2.477 617 HD11 LEU 77 1HD1 LEU 77 3.991 7.775 -0.428 618 HD12 LEU 77 2HD1 LEU 77 3.010 6.373 -0.836 619 HD13 LEU 77 3HD1 LEU 77 2.499 7.458 0.461 620 HD21 LEU 77 1HD2 LEU 77 0.222 7.811 -0.775 621 HD22 LEU 77 2HD2 LEU 77 0.816 6.655 -1.971 622 HD23 LEU 77 3HD2 LEU 77 0.275 8.249 -2.485 623 H GLU 78 H GLU 78 3.281 12.673 -2.988 624 HA GLU 78 HA GLU 78 3.448 14.670 -0.861 625 HB2 GLU 78 2HB GLU 78 4.709 14.809 -3.060 626 HB3 GLU 78 3HB GLU 78 3.176 15.067 -3.878 627 HG2 GLU 78 2HG GLU 78 2.869 17.180 -2.757 628 HG3 GLU 78 3HG GLU 78 4.277 16.899 -1.733 629 H GLU 79 H GLU 79 1.603 14.904 0.199 630 HA GLU 79 HA GLU 79 -0.990 14.415 -1.025 631 HB2 GLU 79 2HB GLU 79 -0.304 14.998 1.887 632 HB3 GLU 79 3HB GLU 79 -1.834 14.388 1.266 633 HG2 GLU 79 2HG GLU 79 -0.650 12.313 0.509 634 HG3 GLU 79 3HG GLU 79 0.822 12.931 1.265 635 H THR 80 H THR 80 -1.889 16.113 -2.063 636 HA THR 80 HA THR 80 -1.746 18.838 -0.975 637 HB THR 80 HB THR 80 -3.211 17.792 -3.459 638 HG1 THR 80 HG1 THR 80 -0.789 19.280 -3.457 639 HG21 THR 80 1HG2 THR 80 -3.235 20.168 -4.162 640 HG22 THR 80 2HG2 THR 80 -2.511 20.635 -2.621 641 HG23 THR 80 3HG2 THR 80 -4.133 19.934 -2.664 642 H THR 81 H THR 81 -3.003 18.913 0.841 643 HA THR 81 HA THR 81 -5.856 18.323 0.685 644 HB THR 81 HB THR 81 -4.947 16.196 1.447 645 HG1 THR 81 HG1 THR 81 -5.858 16.998 3.897 646 HG21 THR 81 1HG2 THR 81 -3.623 17.688 3.745 647 HG22 THR 81 2HG2 THR 81 -2.780 16.937 2.389 648 HG23 THR 81 3HG2 THR 81 -3.671 15.935 3.534 649 H GLY 82 H GLY 82 -7.087 19.494 2.140 650 HA2 GLY 82 2HA GLY 82 -7.673 21.225 3.528 651 HA3 GLY 82 3HA GLY 82 -6.071 21.137 4.241 652 H GLY 83 H GLY 83 -6.144 21.570 0.820 653 HA2 GLY 83 2HA GLY 83 -5.972 23.447 -0.551 654 HA3 GLY 83 3HA GLY 83 -6.085 24.494 0.854 655 H THR 84 H THR 84 -3.771 22.150 1.499 656 HA THR 84 HA THR 84 -1.549 23.760 0.381 657 HB THR 84 HB THR 84 -1.702 24.174 2.813 658 HG1 THR 84 HG1 THR 84 0.553 22.605 2.867 659 HG21 THR 84 1HG2 THR 84 -1.290 21.179 3.166 660 HG22 THR 84 2HG2 THR 84 -2.761 22.071 3.553 661 HG23 THR 84 3HG2 THR 84 -1.282 22.381 4.461 662 H THR 85 H THR 85 0.311 22.607 -0.291 663 HA THR 85 HA THR 85 -0.081 19.708 -0.756 664 HB THR 85 HB THR 85 1.799 21.693 -2.130 665 HG1 THR 85 HG1 THR 85 -0.586 21.822 -2.459 666 HG21 THR 85 1HG2 THR 85 2.674 19.378 -2.224 667 HG22 THR 85 2HG2 THR 85 2.126 19.912 -3.810 668 HG23 THR 85 3HG2 THR 85 1.130 18.808 -2.857 669 H THR 86 H THR 86 0.763 18.654 0.915 670 HA THR 86 HA THR 86 3.343 19.385 2.146 671 HB THR 86 HB THR 86 1.137 17.442 3.012 672 HG1 THR 86 HG1 THR 86 1.848 20.078 3.796 673 HG21 THR 86 1HG2 THR 86 3.622 18.294 4.548 674 HG22 THR 86 2HG2 THR 86 3.347 16.694 3.860 675 HG23 THR 86 3HG2 THR 86 2.318 17.272 5.168 676 H ASN 87 H ASN 87 5.101 18.318 1.344 677 HA ASN 87 HA ASN 87 4.884 15.827 -0.125 678 HB2 ASN 87 2HB ASN 87 6.580 17.542 -0.753 679 HB3 ASN 87 3HB ASN 87 7.373 17.335 0.808 680 HD21 ASN 87 1HD2 ASN 87 6.646 15.780 -2.263 681 HD22 ASN 87 2HD2 ASN 87 7.886 14.580 -2.160 682 H THR 88 H THR 88 4.376 14.085 1.030 683 HA THR 88 HA THR 88 5.447 13.640 3.762 684 HB THR 88 HB THR 88 2.909 12.586 2.415 685 HG1 THR 88 HG1 THR 88 1.846 14.164 3.472 686 HG21 THR 88 1HG2 THR 88 3.771 12.368 5.329 687 HG22 THR 88 2HG2 THR 88 3.733 11.040 4.168 688 HG23 THR 88 3HG2 THR 88 2.229 11.821 4.656 689 H THR 89 H THR 89 6.188 11.491 4.250 690 HA THR 89 HA THR 89 6.532 9.613 1.976 691 HB THR 89 HB THR 89 8.210 9.787 4.535 692 HG1 THR 89 HG1 THR 89 8.277 11.286 2.305 693 HG21 THR 89 1HG2 THR 89 8.696 8.190 1.973 694 HG22 THR 89 2HG2 THR 89 8.222 7.507 3.528 695 HG23 THR 89 3HG2 THR 89 9.790 8.288 3.362 696 H TYR 90 H TYR 90 6.011 7.452 2.343 697 HA TYR 90 HA TYR 90 4.715 6.625 4.864 698 HB2 TYR 90 2HB TYR 90 3.747 6.201 2.004 699 HB3 TYR 90 3HB TYR 90 3.282 5.087 3.285 700 HD1 TYR 90 HD1 TYR 90 3.015 8.644 2.159 701 HD2 TYR 90 HD2 TYR 90 1.547 5.660 4.845 702 HE1 TYR 90 HE1 TYR 90 1.153 10.123 2.804 703 HE2 TYR 90 HE2 TYR 90 -0.303 7.132 5.476 704 HH TYR 90 HH TYR 90 -1.073 9.991 3.775 705 H GLU 91 H GLU 91 5.571 4.802 5.638 706 HA GLU 91 HA GLU 91 7.324 3.144 3.924 707 HB2 GLU 91 2HB GLU 91 7.448 3.548 6.950 708 HB3 GLU 91 3HB GLU 91 8.510 2.517 6.005 709 HG2 GLU 91 2HG GLU 91 9.385 4.482 4.810 710 HG3 GLU 91 3HG GLU 91 8.334 5.527 5.767 711 H LEU 92 H LEU 92 6.081 1.494 3.256 712 HA LEU 92 HA LEU 92 4.160 0.207 5.078 713 HB2 LEU 92 2HB LEU 92 4.521 0.031 2.058 714 HB3 LEU 92 3HB LEU 92 3.441 -1.021 2.957 715 HG LEU 92 HG LEU 92 2.163 1.028 3.715 716 HD11 LEU 92 1HD1 LEU 92 3.844 2.494 1.665 717 HD12 LEU 92 2HD1 LEU 92 3.872 2.741 3.412 718 HD13 LEU 92 3HD1 LEU 92 2.422 3.135 2.495 719 HD21 LEU 92 1HD2 LEU 92 1.359 -0.376 1.868 720 HD22 LEU 92 2HD2 LEU 92 2.279 0.591 0.714 721 HD23 LEU 92 3HD2 LEU 92 0.942 1.317 1.609 722 H ARG 93 H ARG 93 5.132 -1.281 6.299 723 HA ARG 93 HA ARG 93 7.354 -2.887 5.253 724 HB2 ARG 93 2HB ARG 93 7.484 -1.649 7.482 725 HB3 ARG 93 3HB ARG 93 6.319 -2.807 8.116 726 HG2 ARG 93 2HG ARG 93 7.879 -4.641 7.721 727 HG3 ARG 93 3HG ARG 93 9.021 -3.544 6.948 728 HD2 ARG 93 2HD ARG 93 9.279 -2.326 9.089 729 HD3 ARG 93 3HD ARG 93 8.176 -3.464 9.865 730 HE ARG 93 HE ARG 93 10.872 -4.093 8.806 731 HH11 ARG 93 1HH1 ARG 93 8.213 -4.934 10.940 732 HH12 ARG 93 2HH1 ARG 93 9.082 -6.214 11.713 733 HH21 ARG 93 1HH2 ARG 93 11.984 -5.807 9.797 734 HH22 ARG 93 2HH2 ARG 93 11.217 -6.715 11.071 735 H PHE 94 H PHE 94 6.624 -4.546 4.127 736 HA PHE 94 HA PHE 94 4.215 -6.038 4.800 737 HB2 PHE 94 2HB PHE 94 6.208 -6.254 2.494 738 HB3 PHE 94 3HB PHE 94 4.775 -7.268 2.653 739 HD1 PHE 94 HD1 PHE 94 6.002 -3.870 1.905 740 HD2 PHE 94 HD2 PHE 94 2.542 -6.355 2.267 741 HE1 PHE 94 HE1 PHE 94 4.649 -2.163 0.769 742 HE2 PHE 94 HE2 PHE 94 1.200 -4.643 1.128 743 HZ PHE 94 HZ PHE 94 2.251 -2.546 0.382 744 H GLU 95 H GLU 95 4.414 -7.513 6.350 745 HA GLU 95 HA GLU 95 6.947 -8.958 6.763 746 HB2 GLU 95 2HB GLU 95 5.835 -7.630 8.635 747 HB3 GLU 95 3HB GLU 95 4.554 -8.829 8.641 748 HG2 GLU 95 2HG GLU 95 6.064 -10.564 9.352 749 HG3 GLU 95 3HG GLU 95 7.470 -9.533 9.086 750 H VAL 96 H VAL 96 7.089 -11.069 6.338 751 HA VAL 96 HA VAL 96 4.853 -12.220 4.832 752 HB VAL 96 HB VAL 96 6.418 -13.365 3.493 753 HG11 VAL 96 1HG1 VAL 96 7.553 -10.629 4.164 754 HG12 VAL 96 2HG1 VAL 96 6.334 -11.014 2.945 755 HG13 VAL 96 3HG1 VAL 96 7.993 -11.570 2.741 756 HG21 VAL 96 1HG2 VAL 96 7.898 -14.312 5.217 757 HG22 VAL 96 2HG2 VAL 96 8.621 -12.728 5.495 758 HG23 VAL 96 3HG2 VAL 96 8.848 -13.542 3.947 759 H ASP 97 H ASP 97 4.315 -14.368 4.975 760 HA ASP 97 HA ASP 97 5.413 -16.054 7.111 761 HB2 ASP 97 2HB ASP 97 3.444 -15.117 8.147 762 HB3 ASP 97 3HB ASP 97 2.487 -15.345 6.693 763 H GLY 98 H GLY 98 6.407 -17.413 5.755 764 HA2 GLY 98 2HA GLY 98 6.633 -19.283 4.457 765 HA3 GLY 98 3HA GLY 98 4.894 -19.327 4.219 766 H ASP 99 H ASP 99 4.084 -18.645 2.307 767 HA ASP 99 HA ASP 99 5.942 -17.629 0.231 768 HB2 ASP 99 2HB ASP 99 5.270 -19.965 -0.122 769 HB3 ASP 99 3HB ASP 99 3.572 -19.542 0.032 770 H THR 100 H THR 100 3.402 -16.705 2.138 771 HA THR 100 HA THR 100 2.423 -14.671 0.223 772 HB THR 100 HB THR 100 0.621 -16.291 0.457 773 HG1 THR 100 HG1 THR 100 -0.047 -14.099 0.503 774 HG21 THR 100 1HG2 THR 100 0.851 -15.946 3.466 775 HG22 THR 100 2HG2 THR 100 1.279 -17.392 2.553 776 HG23 THR 100 3HG2 THR 100 -0.403 -16.866 2.634 777 H ILE 101 H ILE 101 1.801 -12.656 1.189 778 HA ILE 101 HA ILE 101 3.207 -12.016 3.710 779 HB ILE 101 HB ILE 101 1.878 -10.126 1.708 780 HG12 ILE 101 2HG1 ILE 101 4.852 -10.796 1.917 781 HG13 ILE 101 3HG1 ILE 101 3.778 -11.424 0.676 782 HG21 ILE 101 1HG2 ILE 101 3.853 -9.528 3.952 783 HG22 ILE 101 2HG2 ILE 101 2.133 -9.133 3.949 784 HG23 ILE 101 3HG2 ILE 101 3.213 -8.350 2.800 785 HD11 ILE 101 1HD1 ILE 101 3.416 -9.147 -0.154 786 HD12 ILE 101 2HD1 ILE 101 5.119 -9.608 -0.172 787 HD13 ILE 101 3HD1 ILE 101 4.513 -8.529 1.086 788 H ARG 102 H ARG 102 2.033 -11.421 5.568 789 HA ARG 102 HA ARG 102 -0.945 -11.584 5.395 790 HB2 ARG 102 2HB ARG 102 0.755 -12.475 7.764 791 HB3 ARG 102 3HB ARG 102 -0.965 -12.765 7.517 792 HG2 ARG 102 2HG ARG 102 1.297 -13.946 5.887 793 HG3 ARG 102 3HG ARG 102 0.371 -14.792 7.125 794 HD2 ARG 102 2HD ARG 102 -0.876 -13.653 4.595 795 HD3 ARG 102 3HD ARG 102 -0.272 -15.304 4.738 796 HE ARG 102 HE ARG 102 -2.055 -14.819 6.852 797 HH11 ARG 102 1HH1 ARG 102 -2.132 -15.256 3.374 798 HH12 ARG 102 2HH1 ARG 102 -3.731 -15.922 3.367 799 HH21 ARG 102 1HH2 ARG 102 -4.153 -15.733 6.847 800 HH22 ARG 102 2HH2 ARG 102 -4.886 -16.191 5.345 801 H ARG 103 H ARG 103 1.498 -9.463 5.928 802 HA ARG 103 HA ARG 103 -0.027 -7.743 7.747 803 HB2 ARG 103 2HB ARG 103 1.428 -8.987 9.260 804 HB3 ARG 103 3HB ARG 103 2.818 -8.733 8.220 805 HG2 ARG 103 2HG ARG 103 3.026 -7.335 10.190 806 HG3 ARG 103 3HG ARG 103 2.783 -6.308 8.779 807 HD2 ARG 103 2HD ARG 103 0.395 -6.047 9.392 808 HD3 ARG 103 3HD ARG 103 0.655 -7.062 10.815 809 HE ARG 103 HE ARG 103 2.435 -4.820 10.741 810 HH11 ARG 103 1HH1 ARG 103 -0.850 -5.720 11.630 811 HH12 ARG 103 2HH1 ARG 103 -1.016 -4.421 12.767 812 HH21 ARG 103 1HH2 ARG 103 2.196 -3.123 12.250 813 HH22 ARG 103 2HH2 ARG 103 0.702 -2.953 13.120 814 H VAL 104 H VAL 104 0.003 -5.695 7.010 815 HA VAL 104 HA VAL 104 2.474 -4.638 5.786 816 HB VAL 104 HB VAL 104 0.892 -4.767 3.936 817 HG11 VAL 104 1HG1 VAL 104 -1.105 -3.192 5.600 818 HG12 VAL 104 2HG1 VAL 104 -1.227 -4.899 5.175 819 HG13 VAL 104 3HG1 VAL 104 -1.307 -3.673 3.911 820 HG21 VAL 104 1HG2 VAL 104 1.092 -1.883 4.904 821 HG22 VAL 104 2HG2 VAL 104 0.769 -2.394 3.247 822 HG23 VAL 104 3HG2 VAL 104 2.323 -2.761 3.991 823 H THR 105 H THR 105 3.315 -3.228 7.177 824 HA THR 105 HA THR 105 1.635 -1.786 9.132 825 HB THR 105 HB THR 105 4.688 -1.869 8.949 826 HG1 THR 105 HG1 THR 105 4.218 -3.955 9.329 827 HG21 THR 105 1HG2 THR 105 2.834 -1.223 11.278 828 HG22 THR 105 2HG2 THR 105 3.798 -0.058 10.372 829 HG23 THR 105 3HG2 THR 105 4.598 -1.283 11.355 830 H VAL 106 H VAL 106 0.783 -0.021 8.113 831 HA VAL 106 HA VAL 106 2.392 1.557 6.213 832 HB VAL 106 HB VAL 106 -0.553 1.944 6.968 833 HG11 VAL 106 1HG1 VAL 106 0.457 3.981 6.036 834 HG12 VAL 106 2HG1 VAL 106 -0.688 3.295 4.886 835 HG13 VAL 106 3HG1 VAL 106 1.046 3.083 4.634 836 HG21 VAL 106 1HG2 VAL 106 0.592 0.458 4.570 837 HG22 VAL 106 2HG2 VAL 106 -1.117 0.802 4.847 838 HG23 VAL 106 3HG2 VAL 106 -0.246 -0.270 5.942 839 H THR 107 H THR 107 3.758 2.897 7.314 840 HA THR 107 HA THR 107 2.700 4.512 9.573 841 HB THR 107 HB THR 107 5.634 3.999 8.873 842 HG1 THR 107 HG1 THR 107 3.787 2.427 10.167 843 HG21 THR 107 1HG2 THR 107 6.059 4.805 11.178 844 HG22 THR 107 2HG2 THR 107 4.335 5.102 11.402 845 HG23 THR 107 3HG2 THR 107 5.247 6.047 10.221 846 H GLN 108 H GLN 108 2.221 6.574 9.040 847 HA GLN 108 HA GLN 108 3.169 7.883 6.657 848 HB2 GLN 108 2HB GLN 108 0.921 8.346 7.719 849 HB3 GLN 108 3HB GLN 108 1.751 9.107 9.073 850 HG2 GLN 108 2HG GLN 108 2.694 10.793 7.516 851 HG3 GLN 108 3HG GLN 108 1.812 10.037 6.188 852 HE21 GLN 108 1HE2 GLN 108 0.561 11.843 5.712 853 HE22 GLN 108 2HE2 GLN 108 -0.655 12.458 6.772 854 H ASN 109 H ASN 109 5.377 8.045 6.705 855 HA ASN 109 HA ASN 109 6.835 9.149 8.961 856 HB2 ASN 109 2HB ASN 109 7.761 7.354 7.384 857 HB3 ASN 109 3HB ASN 109 7.922 8.602 6.155 858 HD21 ASN 109 1HD2 ASN 109 10.004 7.048 7.208 859 HD22 ASN 109 2HD2 ASN 109 11.121 8.082 7.999 860 H GLY 110 H GLY 110 5.554 11.079 9.056 861 HA2 GLY 110 2HA GLY 110 6.149 13.167 7.030 862 HA3 GLY 110 3HA GLY 110 4.798 13.181 8.160 863 H GLY 111 H GLY 111 8.177 12.387 8.885 864 HA2 GLY 111 2HA GLY 111 8.970 14.905 9.940 865 HA3 GLY 111 3HA GLY 111 8.332 13.898 11.240 866 H SER 112 H SER 112 10.505 13.624 8.434 867 HA SER 112 HA SER 112 12.085 11.505 9.555 868 HB2 SER 112 2HB SER 112 12.631 13.324 7.163 869 HB3 SER 112 3HB SER 112 13.485 11.818 7.523 870 HG SER 112 HG SER 112 11.108 11.013 7.542 871 H LEU 113 H LEU 113 13.568 11.814 11.173 872 HA LEU 113 HA LEU 113 14.824 14.461 11.543 873 HB2 LEU 113 2HB LEU 113 15.271 13.701 13.933 874 HB3 LEU 113 3HB LEU 113 13.613 14.045 13.519 875 HG LEU 113 HG LEU 113 13.947 12.085 15.091 876 HD11 LEU 113 1HD1 LEU 113 11.843 12.320 13.877 877 HD12 LEU 113 2HD1 LEU 113 12.255 10.625 14.104 878 HD13 LEU 113 3HD1 LEU 113 12.487 11.382 12.526 879 HD21 LEU 113 1HD2 LEU 113 14.650 9.893 14.246 880 HD22 LEU 113 2HD2 LEU 113 15.961 11.061 14.101 881 HD23 LEU 113 3HD2 LEU 113 15.035 10.594 12.672 882 H GLU 114 H GLU 114 15.647 11.719 10.084 883 HA GLU 114 HA GLU 114 18.089 10.982 11.392 884 HB2 GLU 114 2HB GLU 114 16.945 10.200 8.686 885 HB3 GLU 114 3HB GLU 114 18.415 9.513 9.368 886 HG2 GLU 114 2HG GLU 114 17.147 8.626 11.276 887 HG3 GLU 114 3HG GLU 114 15.668 9.339 10.629 888 H HIS 115 H HIS 115 19.254 12.948 11.473 889 HA HIS 115 HA HIS 115 20.670 13.686 8.969 890 HB2 HIS 115 2HB HIS 115 20.162 15.334 11.497 891 HB3 HIS 115 3HB HIS 115 21.233 15.841 10.188 892 HD1 HIS 115 HD1 HIS 115 20.154 17.032 8.263 893 HD2 HIS 115 HD2 HIS 115 17.344 15.177 10.696 894 HE1 HIS 115 HE1 HIS 115 17.929 17.805 7.430 895 HE2 HIS 115 HE2 HIS 115 16.236 16.584 8.825 896 H HIS 116 H HIS 116 22.509 12.580 8.930 897 HA HIS 116 HA HIS 116 24.421 11.485 9.458 898 HB2 HIS 116 2HB HIS 116 25.071 13.759 10.362 899 HB3 HIS 116 3HB HIS 116 24.491 13.264 11.940 900 HD1 HIS 116 HD1 HIS 116 27.314 12.722 9.541 901 HD2 HIS 116 HD2 HIS 116 26.285 11.736 13.444 902 HE1 HIS 116 HE1 HIS 116 29.380 11.732 10.560 903 HE2 HIS 116 HE2 HIS 116 28.680 10.974 12.845 904 H HIS 117 H HIS 117 21.630 10.828 10.899 905 HA HIS 117 HA HIS 117 22.434 9.502 13.349 906 HB2 HIS 117 2HB HIS 117 20.328 10.778 13.297 907 HB3 HIS 117 3HB HIS 117 19.702 9.740 12.024 908 HD1 HIS 117 HD1 HIS 117 20.904 9.366 15.627 909 HD2 HIS 117 HD2 HIS 117 18.154 7.698 12.992 910 HE1 HIS 117 HE1 HIS 117 19.723 7.573 16.927 911 HE2 HIS 117 HE2 HIS 117 18.215 6.453 15.266 912 H HIS 118 H HIS 118 23.877 8.149 12.128 913 HA HIS 118 HA HIS 118 23.443 5.493 12.200 914 HB2 HIS 118 2HB HIS 118 23.522 4.828 9.696 915 HB3 HIS 118 3HB HIS 118 21.960 5.323 10.328 916 HD1 HIS 118 HD1 HIS 118 20.815 7.220 9.206 917 HD2 HIS 118 HD2 HIS 118 24.759 6.830 7.945 918 HE1 HIS 118 HE1 HIS 118 21.084 8.855 7.337 919 HE2 HIS 118 HE2 HIS 118 23.407 8.483 6.470 920 H HIS 119 H HIS 119 25.479 4.699 12.382 921 HA HIS 119 HA HIS 119 27.734 6.378 11.689 922 HB2 HIS 119 2HB HIS 119 27.703 5.094 13.829 923 HB3 HIS 119 3HB HIS 119 27.713 3.585 12.923 924 HD1 HIS 119 HD1 HIS 119 29.971 2.817 11.926 925 HD2 HIS 119 HD2 HIS 119 30.180 6.504 13.843 926 HE1 HIS 119 HE1 HIS 119 32.419 3.355 12.101 927 HE2 HIS 119 HE2 HIS 119 32.525 5.577 13.262 928 H HIS 120 H HIS 120 27.376 6.408 9.430 929 HA HIS 120 HA HIS 120 28.927 4.503 7.949 930 HB2 HIS 120 2HB HIS 120 26.636 3.395 8.046 931 HB3 HIS 120 3HB HIS 120 25.966 4.778 7.192 932 HD1 HIS 120 HD1 HIS 120 28.053 1.703 6.682 933 HD2 HIS 120 HD2 HIS 120 26.585 4.873 4.404 934 HE1 HIS 120 HE1 HIS 120 28.396 1.033 4.283 935 HE2 HIS 120 HE2 HIS 120 27.475 2.926 2.923 Start of MODEL 8 1 H1 MET 1 1H MET 1 2.554 -18.294 -1.833 2 H2 MET 1 2H MET 1 4.092 -17.777 -1.351 3 H3 MET 1 3H MET 1 3.934 -18.875 -2.624 4 HA MET 1 HA MET 1 2.889 -17.271 -3.996 5 HB2 MET 1 2HB MET 1 1.710 -16.094 -2.144 6 HB3 MET 1 3HB MET 1 3.234 -15.408 -1.608 7 HG2 MET 1 2HG MET 1 2.087 -14.864 -4.349 8 HG3 MET 1 3HG MET 1 1.694 -13.887 -2.939 9 HE1 MET 1 1HE MET 1 4.569 -13.972 -1.410 10 HE2 MET 1 2HE MET 1 3.566 -12.524 -1.534 11 HE3 MET 1 3HE MET 1 5.265 -12.466 -2.005 12 H GLN 2 H GLN 2 4.537 -17.256 -5.401 13 HA GLN 2 HA GLN 2 7.276 -17.217 -4.579 14 HB2 GLN 2 2HB GLN 2 6.405 -18.617 -6.434 15 HB3 GLN 2 3HB GLN 2 6.045 -17.168 -7.368 16 HG2 GLN 2 2HG GLN 2 8.409 -16.650 -7.556 17 HG3 GLN 2 3HG GLN 2 8.823 -17.991 -6.482 18 HE21 GLN 2 1HE2 GLN 2 8.712 -20.118 -7.290 19 HE22 GLN 2 2HE2 GLN 2 8.615 -20.456 -8.981 20 H ASP 3 H ASP 3 8.793 -15.632 -4.797 21 HA ASP 3 HA ASP 3 9.795 -13.634 -4.904 22 HB2 ASP 3 2HB ASP 3 9.083 -13.761 -7.361 23 HB3 ASP 3 3HB ASP 3 7.742 -12.703 -6.944 24 H ILE 4 H ILE 4 9.554 -12.748 -3.000 25 HA ILE 4 HA ILE 4 7.100 -11.753 -1.883 26 HB ILE 4 HB ILE 4 9.993 -11.573 -0.912 27 HG12 ILE 4 2HG1 ILE 4 9.188 -13.901 -1.066 28 HG13 ILE 4 3HG1 ILE 4 9.405 -13.435 0.614 29 HG21 ILE 4 1HG2 ILE 4 9.101 -11.010 1.310 30 HG22 ILE 4 2HG2 ILE 4 7.465 -10.954 0.657 31 HG23 ILE 4 3HG2 ILE 4 8.670 -9.786 0.116 32 HD11 ILE 4 1HD1 ILE 4 7.419 -14.782 0.353 33 HD12 ILE 4 2HD1 ILE 4 6.779 -13.674 -0.858 34 HD13 ILE 4 3HD1 ILE 4 6.956 -13.145 0.817 35 H VAL 5 H VAL 5 9.992 -10.311 -3.394 36 HA VAL 5 HA VAL 5 9.622 -7.659 -2.411 37 HB VAL 5 HB VAL 5 11.207 -8.413 -4.917 38 HG11 VAL 5 1HG1 VAL 5 10.869 -5.991 -4.623 39 HG12 VAL 5 2HG1 VAL 5 12.560 -6.412 -4.366 40 HG13 VAL 5 3HG1 VAL 5 11.515 -6.077 -2.982 41 HG21 VAL 5 1HG2 VAL 5 12.169 -8.442 -2.037 42 HG22 VAL 5 2HG2 VAL 5 13.181 -8.670 -3.466 43 HG23 VAL 5 3HG2 VAL 5 11.933 -9.850 -3.072 44 H GLU 6 H GLU 6 8.974 -9.175 -5.579 45 HA GLU 6 HA GLU 6 7.904 -6.932 -6.890 46 HB2 GLU 6 2HB GLU 6 8.618 -8.989 -8.076 47 HB3 GLU 6 3HB GLU 6 7.267 -9.875 -7.370 48 HG2 GLU 6 2HG GLU 6 5.695 -8.319 -8.528 49 HG3 GLU 6 3HG GLU 6 7.076 -7.532 -9.291 50 H ALA 7 H ALA 7 6.402 -9.458 -4.930 51 HA ALA 7 HA ALA 7 3.701 -8.729 -5.168 52 HB1 ALA 7 1HB ALA 7 5.111 -9.990 -2.799 53 HB2 ALA 7 2HB ALA 7 4.436 -10.844 -4.187 54 HB3 ALA 7 3HB ALA 7 3.366 -9.979 -3.085 55 H ALA 8 H ALA 8 6.184 -7.704 -2.840 56 HA ALA 8 HA ALA 8 4.538 -6.092 -1.190 57 HB1 ALA 8 1HB ALA 8 7.541 -5.965 -1.639 58 HB2 ALA 8 2HB ALA 8 6.708 -6.991 -0.470 59 HB3 ALA 8 3HB ALA 8 6.663 -5.239 -0.287 60 H LYS 9 H LYS 9 6.372 -5.431 -4.117 61 HA LYS 9 HA LYS 9 6.238 -2.568 -4.028 62 HB2 LYS 9 2HB LYS 9 8.021 -3.822 -5.216 63 HB3 LYS 9 3HB LYS 9 6.832 -4.464 -6.344 64 HG2 LYS 9 2HG LYS 9 6.392 -2.159 -7.165 65 HG3 LYS 9 3HG LYS 9 7.613 -1.542 -6.044 66 HD2 LYS 9 2HD LYS 9 9.353 -2.878 -7.191 67 HD3 LYS 9 3HD LYS 9 8.134 -3.534 -8.287 68 HE2 LYS 9 2HE LYS 9 9.351 -1.784 -9.422 69 HE3 LYS 9 3HE LYS 9 7.710 -1.211 -9.124 70 HZ1 LYS 9 1HZ LYS 9 9.361 0.474 -8.629 71 HZ2 LYS 9 2HZ LYS 9 10.099 -0.538 -7.494 72 HZ3 LYS 9 3HZ LYS 9 8.528 0.028 -7.229 73 H GLN 10 H GLN 10 4.521 -5.067 -5.909 74 HA GLN 10 HA GLN 10 2.695 -3.440 -7.306 75 HB2 GLN 10 2HB GLN 10 2.558 -6.357 -6.435 76 HB3 GLN 10 3HB GLN 10 1.322 -5.617 -7.445 77 HG2 GLN 10 2HG GLN 10 4.249 -5.765 -8.194 78 HG3 GLN 10 3HG GLN 10 3.038 -6.946 -8.684 79 HE21 GLN 10 1HE2 GLN 10 0.907 -5.105 -9.221 80 HE22 GLN 10 2HE2 GLN 10 1.341 -4.223 -10.636 81 H ALA 11 H ALA 11 2.505 -5.037 -4.176 82 HA ALA 11 HA ALA 11 -0.201 -4.499 -3.576 83 HB1 ALA 11 1HB ALA 11 1.076 -6.275 -2.477 84 HB2 ALA 11 2HB ALA 11 0.389 -5.168 -1.289 85 HB3 ALA 11 3HB ALA 11 2.106 -5.076 -1.693 86 H ALA 12 H ALA 12 2.830 -2.817 -2.780 87 HA ALA 12 HA ALA 12 1.885 -0.863 -1.046 88 HB1 ALA 12 1HB ALA 12 3.878 0.444 -1.651 89 HB2 ALA 12 2HB ALA 12 4.132 -0.586 -3.065 90 HB3 ALA 12 3HB ALA 12 4.273 -1.264 -1.442 91 H ILE 13 H ILE 13 2.252 -0.671 -4.586 92 HA ILE 13 HA ILE 13 1.174 1.910 -4.995 93 HB ILE 13 HB ILE 13 1.098 -0.446 -6.952 94 HG12 ILE 13 2HG1 ILE 13 3.308 1.651 -6.657 95 HG13 ILE 13 3HG1 ILE 13 3.422 -0.006 -6.077 96 HG21 ILE 13 1HG2 ILE 13 1.072 1.282 -8.725 97 HG22 ILE 13 2HG2 ILE 13 1.037 2.550 -7.498 98 HG23 ILE 13 3HG2 ILE 13 -0.324 1.440 -7.656 99 HD11 ILE 13 1HD1 ILE 13 3.125 0.841 -8.958 100 HD12 ILE 13 2HD1 ILE 13 3.214 -0.825 -8.378 101 HD13 ILE 13 3HD1 ILE 13 4.592 0.255 -8.175 102 H ALA 14 H ALA 14 -0.315 -1.323 -5.027 103 HA ALA 14 HA ALA 14 -2.867 -0.628 -6.023 104 HB1 ALA 14 1HB ALA 14 -2.077 -3.017 -4.341 105 HB2 ALA 14 2HB ALA 14 -1.963 -2.901 -6.097 106 HB3 ALA 14 3HB ALA 14 -3.543 -2.872 -5.314 107 H ILE 15 H ILE 15 -1.605 -0.782 -2.747 108 HA ILE 15 HA ILE 15 -4.010 -0.549 -1.289 109 HB ILE 15 HB ILE 15 -1.105 0.093 -0.634 110 HG12 ILE 15 2HG1 ILE 15 -3.013 -2.073 0.390 111 HG13 ILE 15 3HG1 ILE 15 -1.765 -2.307 -0.825 112 HG21 ILE 15 1HG2 ILE 15 -3.424 0.374 1.309 113 HG22 ILE 15 2HG2 ILE 15 -2.408 1.682 0.704 114 HG23 ILE 15 3HG2 ILE 15 -1.714 0.437 1.740 115 HD11 ILE 15 1HD1 ILE 15 -0.051 -1.819 0.870 116 HD12 ILE 15 2HD1 ILE 15 -1.065 -3.197 1.294 117 HD13 ILE 15 3HD1 ILE 15 -1.322 -1.641 2.082 118 H PHE 16 H PHE 16 -1.775 1.908 -2.600 119 HA PHE 16 HA PHE 16 -3.268 4.169 -1.637 120 HB2 PHE 16 2HB PHE 16 -1.181 4.034 -3.852 121 HB3 PHE 16 3HB PHE 16 -1.800 5.517 -3.127 122 HD1 PHE 16 HD1 PHE 16 -1.792 5.164 -0.308 123 HD2 PHE 16 HD2 PHE 16 1.014 3.638 -3.150 124 HE1 PHE 16 HE1 PHE 16 -0.070 5.052 1.441 125 HE2 PHE 16 HE2 PHE 16 2.726 3.532 -1.392 126 HZ PHE 16 HZ PHE 16 2.182 4.242 0.898 127 H GLN 17 H GLN 17 -3.299 2.255 -4.585 128 HA GLN 17 HA GLN 17 -4.815 3.983 -6.221 129 HB2 GLN 17 2HB GLN 17 -4.458 0.967 -6.321 130 HB3 GLN 17 3HB GLN 17 -5.386 1.854 -7.529 131 HG2 GLN 17 2HG GLN 17 -3.378 3.163 -8.122 132 HG3 GLN 17 3HG GLN 17 -2.444 2.270 -6.916 133 HE21 GLN 17 1HE2 GLN 17 -1.881 0.103 -7.360 134 HE22 GLN 17 2HE2 GLN 17 -2.001 -0.577 -8.940 135 H LEU 18 H LEU 18 -5.763 1.490 -3.907 136 HA LEU 18 HA LEU 18 -8.593 1.759 -4.338 137 HB2 LEU 18 2HB LEU 18 -7.034 0.534 -2.039 138 HB3 LEU 18 3HB LEU 18 -8.785 0.463 -2.185 139 HG LEU 18 HG LEU 18 -6.798 -0.799 -4.113 140 HD11 LEU 18 1HD1 LEU 18 -7.566 -2.934 -3.217 141 HD12 LEU 18 2HD1 LEU 18 -8.639 -2.109 -2.085 142 HD13 LEU 18 3HD1 LEU 18 -6.889 -1.935 -1.935 143 HD21 LEU 18 1HD2 LEU 18 -8.762 -1.843 -5.181 144 HD22 LEU 18 2HD2 LEU 18 -8.822 -0.087 -5.304 145 HD23 LEU 18 3HD2 LEU 18 -9.839 -0.921 -4.127 146 H TRP 19 H TRP 19 -6.241 3.201 -2.106 147 HA TRP 19 HA TRP 19 -8.089 4.359 -0.313 148 HB2 TRP 19 2HB TRP 19 -5.181 4.931 -0.906 149 HB3 TRP 19 3HB TRP 19 -6.077 5.944 0.219 150 HD1 TRP 19 HD1 TRP 19 -7.453 2.666 0.836 151 HE1 TRP 19 HE1 TRP 19 -6.290 1.503 2.798 152 HE3 TRP 19 HE3 TRP 19 -3.302 5.620 1.202 153 HZ2 TRP 19 HZ2 TRP 19 -3.954 1.784 4.322 154 HZ3 TRP 19 HZ3 TRP 19 -1.654 5.101 2.950 155 HH2 TRP 19 HH2 TRP 19 -1.977 3.228 4.480 156 H LYS 20 H LYS 20 -6.910 5.521 -3.422 157 HA LYS 20 HA LYS 20 -8.455 8.023 -3.104 158 HB2 LYS 20 2HB LYS 20 -7.255 8.814 -5.150 159 HB3 LYS 20 3HB LYS 20 -6.187 8.425 -3.816 160 HG2 LYS 20 2HG LYS 20 -5.015 7.548 -5.605 161 HG3 LYS 20 3HG LYS 20 -5.886 6.126 -5.036 162 HD2 LYS 20 2HD LYS 20 -7.578 6.479 -6.820 163 HD3 LYS 20 3HD LYS 20 -6.675 7.884 -7.386 164 HE2 LYS 20 2HE LYS 20 -4.731 6.400 -7.853 165 HE3 LYS 20 3HE LYS 20 -5.704 5.016 -7.355 166 HZ1 LYS 20 1HZ LYS 20 -7.241 5.485 -9.150 167 HZ2 LYS 20 2HZ LYS 20 -5.677 5.264 -9.747 168 HZ3 LYS 20 3HZ LYS 20 -6.316 6.822 -9.627 169 H ASN 21 H ASN 21 -8.752 4.917 -4.466 170 HA ASN 21 HA ASN 21 -11.283 5.552 -5.718 171 HB2 ASN 21 2HB ASN 21 -9.622 6.050 -7.555 172 HB3 ASN 21 3HB ASN 21 -9.059 4.381 -7.472 173 HD21 ASN 21 1HD2 ASN 21 -10.532 2.721 -8.137 174 HD22 ASN 21 2HD2 ASN 21 -11.844 3.061 -9.205 175 HA PRO 22 HA PRO 22 -10.992 1.415 -3.531 176 HB2 PRO 22 2HB PRO 22 -13.531 1.493 -2.442 177 HB3 PRO 22 3HB PRO 22 -12.129 2.288 -1.699 178 HG2 PRO 22 2HG PRO 22 -14.284 3.491 -3.404 179 HG3 PRO 22 3HG PRO 22 -13.551 4.115 -1.910 180 HD2 PRO 22 2HD PRO 22 -12.819 5.027 -4.360 181 HD3 PRO 22 3HD PRO 22 -11.666 4.924 -3.010 182 H THR 23 H THR 23 -12.966 2.651 -6.003 183 HA THR 23 HA THR 23 -14.570 0.316 -6.527 184 HB THR 23 HB THR 23 -15.275 1.661 -8.561 185 HG1 THR 23 HG1 THR 23 -14.461 3.740 -8.786 186 HG21 THR 23 1HG2 THR 23 -15.435 3.130 -5.894 187 HG22 THR 23 2HG2 THR 23 -16.549 1.879 -6.454 188 HG23 THR 23 3HG2 THR 23 -16.469 3.428 -7.293 189 H ASP 24 H ASP 24 -11.313 1.008 -7.150 190 HA ASP 24 HA ASP 24 -11.117 -0.083 -9.806 191 HB2 ASP 24 2HB ASP 24 -9.399 1.505 -8.744 192 HB3 ASP 24 3HB ASP 24 -8.799 0.128 -7.826 193 HA PRO 25 HA PRO 25 -11.627 -4.273 -8.149 194 HB2 PRO 25 2HB PRO 25 -11.902 -5.612 -10.507 195 HB3 PRO 25 3HB PRO 25 -13.174 -4.540 -9.881 196 HG2 PRO 25 2HG PRO 25 -11.083 -3.952 -11.960 197 HG3 PRO 25 3HG PRO 25 -12.828 -3.606 -11.992 198 HD2 PRO 25 2HD PRO 25 -10.980 -1.719 -11.316 199 HD3 PRO 25 3HD PRO 25 -12.622 -1.732 -10.639 200 H GLU 26 H GLU 26 -9.151 -3.406 -10.557 201 HA GLU 26 HA GLU 26 -7.835 -5.975 -10.474 202 HB2 GLU 26 2HB GLU 26 -6.960 -3.370 -11.794 203 HB3 GLU 26 3HB GLU 26 -6.197 -4.942 -12.028 204 HG2 GLU 26 2HG GLU 26 -8.399 -5.797 -12.924 205 HG3 GLU 26 3HG GLU 26 -9.009 -4.148 -12.841 206 H ALA 27 H ALA 27 -7.391 -2.871 -8.924 207 HA ALA 27 HA ALA 27 -4.763 -3.250 -7.913 208 HB1 ALA 27 1HB ALA 27 -5.824 -1.027 -8.042 209 HB2 ALA 27 2HB ALA 27 -5.298 -1.383 -6.396 210 HB3 ALA 27 3HB ALA 27 -7.007 -1.510 -6.825 211 H GLN 28 H GLN 28 -8.015 -3.827 -6.547 212 HA GLN 28 HA GLN 28 -6.981 -5.016 -4.120 213 HB2 GLN 28 2HB GLN 28 -9.326 -5.459 -3.543 214 HB3 GLN 28 3HB GLN 28 -9.077 -3.798 -4.040 215 HG2 GLN 28 2HG GLN 28 -9.996 -4.400 -6.291 216 HG3 GLN 28 3HG GLN 28 -10.406 -5.988 -5.641 217 HE21 GLN 28 1HE2 GLN 28 -11.146 -2.580 -5.566 218 HE22 GLN 28 2HE2 GLN 28 -12.642 -2.713 -4.711 219 H GLU 29 H GLU 29 -7.828 -6.188 -7.282 220 HA GLU 29 HA GLU 29 -8.307 -8.924 -6.719 221 HB2 GLU 29 2HB GLU 29 -8.842 -7.907 -8.914 222 HB3 GLU 29 3HB GLU 29 -7.127 -7.669 -9.234 223 HG2 GLU 29 2HG GLU 29 -6.830 -10.169 -9.162 224 HG3 GLU 29 3HG GLU 29 -8.581 -10.322 -8.993 225 H LEU 30 H LEU 30 -5.313 -7.178 -7.634 226 HA LEU 30 HA LEU 30 -3.644 -9.483 -7.518 227 HB2 LEU 30 2HB LEU 30 -1.753 -8.012 -7.808 228 HB3 LEU 30 3HB LEU 30 -3.057 -7.492 -8.844 229 HG LEU 30 HG LEU 30 -3.505 -5.728 -6.884 230 HD11 LEU 30 1HD1 LEU 30 -0.550 -6.302 -6.482 231 HD12 LEU 30 2HD1 LEU 30 -1.839 -6.551 -5.304 232 HD13 LEU 30 3HD1 LEU 30 -1.429 -4.921 -5.820 233 HD21 LEU 30 1HD2 LEU 30 -1.257 -5.371 -8.898 234 HD22 LEU 30 2HD2 LEU 30 -2.120 -4.075 -8.062 235 HD23 LEU 30 3HD2 LEU 30 -2.980 -5.113 -9.195 236 H LEU 31 H LEU 31 -4.594 -7.057 -5.140 237 HA LEU 31 HA LEU 31 -2.890 -7.818 -3.011 238 HB2 LEU 31 2HB LEU 31 -5.580 -6.424 -3.074 239 HB3 LEU 31 3HB LEU 31 -4.761 -6.748 -1.557 240 HG LEU 31 HG LEU 31 -3.634 -5.018 -3.798 241 HD11 LEU 31 1HD1 LEU 31 -5.581 -3.959 -2.721 242 HD12 LEU 31 2HD1 LEU 31 -4.089 -3.102 -2.352 243 HD13 LEU 31 3HD1 LEU 31 -4.823 -4.154 -1.137 244 HD21 LEU 31 1HD2 LEU 31 -2.589 -5.538 -0.996 245 HD22 LEU 31 2HD2 LEU 31 -1.935 -4.361 -2.139 246 HD23 LEU 31 3HD2 LEU 31 -1.861 -6.080 -2.512 247 H ASN 32 H ASN 32 -5.770 -9.317 -4.267 248 HA ASN 32 HA ASN 32 -6.260 -11.015 -1.948 249 HB2 ASN 32 2HB ASN 32 -7.971 -10.252 -3.797 250 HB3 ASN 32 3HB ASN 32 -7.308 -11.555 -4.769 251 HD21 ASN 32 1HD2 ASN 32 -9.999 -11.257 -3.826 252 HD22 ASN 32 2HD2 ASN 32 -10.361 -12.626 -2.839 253 H LYS 33 H LYS 33 -4.386 -11.082 -4.874 254 HA LYS 33 HA LYS 33 -3.980 -13.940 -5.015 255 HB2 LYS 33 2HB LYS 33 -2.777 -11.621 -6.590 256 HB3 LYS 33 3HB LYS 33 -2.483 -13.321 -6.951 257 HG2 LYS 33 2HG LYS 33 -4.844 -13.674 -7.470 258 HG3 LYS 33 3HG LYS 33 -5.229 -12.028 -6.963 259 HD2 LYS 33 2HD LYS 33 -5.164 -12.193 -9.416 260 HD3 LYS 33 3HD LYS 33 -3.895 -11.119 -8.827 261 HE2 LYS 33 2HE LYS 33 -2.228 -12.908 -9.119 262 HE3 LYS 33 3HE LYS 33 -3.494 -14.015 -9.658 263 HZ1 LYS 33 1HZ LYS 33 -2.326 -13.091 -11.535 264 HZ2 LYS 33 2HZ LYS 33 -2.667 -11.513 -11.033 265 HZ3 LYS 33 3HZ LYS 33 -3.921 -12.531 -11.533 266 H ILE 34 H ILE 34 -2.145 -11.159 -3.793 267 HA ILE 34 HA ILE 34 0.191 -12.911 -3.223 268 HB ILE 34 HB ILE 34 1.590 -10.832 -3.200 269 HG12 ILE 34 2HG1 ILE 34 -1.004 -9.484 -4.075 270 HG13 ILE 34 3HG1 ILE 34 -0.037 -9.108 -2.665 271 HG21 ILE 34 1HG2 ILE 34 1.664 -10.532 -5.651 272 HG22 ILE 34 2HG2 ILE 34 0.085 -11.306 -5.800 273 HG23 ILE 34 3HG2 ILE 34 1.469 -12.234 -5.221 274 HD11 ILE 34 1HD1 ILE 34 0.737 -8.608 -5.530 275 HD12 ILE 34 2HD1 ILE 34 1.722 -8.239 -4.114 276 HD13 ILE 34 3HD1 ILE 34 0.187 -7.410 -4.357 277 H LEU 35 H LEU 35 -1.714 -10.231 -1.869 278 HA LEU 35 HA LEU 35 -0.783 -10.819 0.864 279 HB2 LEU 35 2HB LEU 35 -2.112 -8.468 -0.488 280 HB3 LEU 35 3HB LEU 35 -2.473 -8.721 1.205 281 HG LEU 35 HG LEU 35 -0.644 -7.046 0.772 282 HD11 LEU 35 1HD1 LEU 35 0.857 -7.820 2.559 283 HD12 LEU 35 2HD1 LEU 35 0.181 -9.445 2.434 284 HD13 LEU 35 3HD1 LEU 35 -0.835 -8.106 2.961 285 HD21 LEU 35 1HD2 LEU 35 1.609 -7.796 0.155 286 HD22 LEU 35 2HD2 LEU 35 0.467 -8.150 -1.139 287 HD23 LEU 35 3HD2 LEU 35 1.021 -9.445 -0.076 288 H SER 36 H SER 36 -2.717 -10.592 2.513 289 HA SER 36 HA SER 36 -4.609 -12.669 2.011 290 HB2 SER 36 2HB SER 36 -4.584 -10.610 4.258 291 HB3 SER 36 3HB SER 36 -5.443 -12.152 4.256 292 HG SER 36 HG SER 36 -3.188 -11.867 5.272 293 HA PRO 37 HA PRO 37 -8.002 -10.204 0.212 294 HB2 PRO 37 2HB PRO 37 -10.167 -11.655 1.235 295 HB3 PRO 37 3HB PRO 37 -9.247 -12.096 -0.215 296 HG2 PRO 37 2HG PRO 37 -8.950 -13.140 2.585 297 HG3 PRO 37 3HG PRO 37 -8.929 -14.026 1.041 298 HD2 PRO 37 2HD PRO 37 -6.640 -13.453 2.314 299 HD3 PRO 37 3HD PRO 37 -6.737 -13.368 0.538 300 H ASP 38 H ASP 38 -7.659 -10.801 3.600 301 HA ASP 38 HA ASP 38 -9.481 -8.905 4.664 302 HB2 ASP 38 2HB ASP 38 -6.837 -9.899 5.847 303 HB3 ASP 38 3HB ASP 38 -8.136 -9.102 6.737 304 H VAL 39 H VAL 39 -6.142 -8.686 3.536 305 HA VAL 39 HA VAL 39 -5.490 -6.124 4.517 306 HB VAL 39 HB VAL 39 -4.374 -7.635 2.107 307 HG11 VAL 39 1HG1 VAL 39 -2.408 -6.120 2.237 308 HG12 VAL 39 2HG1 VAL 39 -3.238 -5.155 3.460 309 HG13 VAL 39 3HG1 VAL 39 -3.887 -5.250 1.822 310 HG21 VAL 39 1HG2 VAL 39 -4.058 -8.801 4.263 311 HG22 VAL 39 2HG2 VAL 39 -3.292 -7.365 4.945 312 HG23 VAL 39 3HG2 VAL 39 -2.516 -8.238 3.623 313 H LEU 40 H LEU 40 -6.586 -7.126 1.229 314 HA LEU 40 HA LEU 40 -6.767 -4.534 0.126 315 HB2 LEU 40 2HB LEU 40 -7.929 -5.494 -1.721 316 HB3 LEU 40 3HB LEU 40 -6.784 -6.691 -1.168 317 HG LEU 40 HG LEU 40 -8.966 -7.607 0.159 318 HD11 LEU 40 1HD1 LEU 40 -10.514 -5.876 -0.656 319 HD12 LEU 40 2HD1 LEU 40 -11.001 -7.487 -1.171 320 HD13 LEU 40 3HD1 LEU 40 -10.226 -6.396 -2.319 321 HD21 LEU 40 1HD2 LEU 40 -7.576 -8.919 -1.361 322 HD22 LEU 40 2HD2 LEU 40 -8.438 -8.242 -2.744 323 HD23 LEU 40 3HD2 LEU 40 -9.290 -9.256 -1.579 324 H ASP 41 H ASP 41 -8.973 -6.376 2.088 325 HA ASP 41 HA ASP 41 -11.367 -4.972 1.533 326 HB2 ASP 41 2HB ASP 41 -11.352 -7.271 2.423 327 HB3 ASP 41 3HB ASP 41 -10.626 -6.709 3.925 328 H GLN 42 H GLN 42 -9.163 -4.840 4.380 329 HA GLN 42 HA GLN 42 -10.498 -2.623 5.564 330 HB2 GLN 42 2HB GLN 42 -8.610 -2.523 7.145 331 HB3 GLN 42 3HB GLN 42 -9.211 -4.157 6.943 332 HG2 GLN 42 2HG GLN 42 -6.915 -4.480 7.015 333 HG3 GLN 42 3HG GLN 42 -7.230 -4.459 5.283 334 HE21 GLN 42 1HE2 GLN 42 -5.053 -3.912 4.872 335 HE22 GLN 42 2HE2 GLN 42 -4.430 -2.333 5.179 336 H VAL 43 H VAL 43 -8.045 -2.842 3.103 337 HA VAL 43 HA VAL 43 -7.112 -0.152 3.168 338 HB VAL 43 HB VAL 43 -7.013 -2.322 1.032 339 HG11 VAL 43 1HG1 VAL 43 -5.794 0.450 0.754 340 HG12 VAL 43 2HG1 VAL 43 -7.152 -0.179 -0.180 341 HG13 VAL 43 3HG1 VAL 43 -5.560 -0.913 -0.349 342 HG21 VAL 43 1HG2 VAL 43 -5.511 -2.567 2.989 343 HG22 VAL 43 2HG2 VAL 43 -4.802 -0.988 2.649 344 HG23 VAL 43 3HG2 VAL 43 -4.597 -2.313 1.499 345 H ARG 44 H ARG 44 -9.609 -1.754 1.108 346 HA ARG 44 HA ARG 44 -10.348 0.615 -0.290 347 HB2 ARG 44 2HB ARG 44 -12.245 -0.655 -1.169 348 HB3 ARG 44 3HB ARG 44 -10.795 -1.650 -1.193 349 HG2 ARG 44 2HG ARG 44 -11.545 -2.829 0.826 350 HG3 ARG 44 3HG ARG 44 -12.989 -1.824 0.897 351 HD2 ARG 44 2HD ARG 44 -13.747 -2.773 -1.259 352 HD3 ARG 44 3HD ARG 44 -12.291 -3.776 -1.326 353 HE ARG 44 HE ARG 44 -13.231 -4.612 0.983 354 HH11 ARG 44 1HH1 ARG 44 -15.125 -3.936 -1.909 355 HH12 ARG 44 2HH1 ARG 44 -16.351 -5.100 -1.523 356 HH21 ARG 44 1HH2 ARG 44 -14.835 -6.138 1.473 357 HH22 ARG 44 2HH2 ARG 44 -16.188 -6.354 0.401 358 H GLU 45 H GLU 45 -11.247 -0.613 2.840 359 HA GLU 45 HA GLU 45 -13.502 1.181 3.241 360 HB2 GLU 45 2HB GLU 45 -11.897 -0.411 5.287 361 HB3 GLU 45 3HB GLU 45 -13.452 0.374 5.571 362 HG2 GLU 45 2HG GLU 45 -14.498 -1.122 3.900 363 HG3 GLU 45 3HG GLU 45 -12.959 -1.919 3.655 364 H HIS 46 H HIS 46 -10.039 1.144 3.992 365 HA HIS 46 HA HIS 46 -9.944 3.514 5.583 366 HB2 HIS 46 2HB HIS 46 -8.105 1.800 5.515 367 HB3 HIS 46 3HB HIS 46 -7.708 2.314 3.881 368 HD1 HIS 46 HD1 HIS 46 -6.611 4.716 3.640 369 HD2 HIS 46 HD2 HIS 46 -7.098 3.405 7.548 370 HE1 HIS 46 HE1 HIS 46 -5.215 6.256 5.042 371 HE2 HIS 46 HE2 HIS 46 -5.449 5.388 7.388 372 H ALA 47 H ALA 47 -10.106 2.925 2.176 373 HA ALA 47 HA ALA 47 -9.315 5.281 0.981 374 HB1 ALA 47 1HB ALA 47 -11.764 3.616 0.312 375 HB2 ALA 47 2HB ALA 47 -10.119 3.308 -0.242 376 HB3 ALA 47 3HB ALA 47 -10.961 4.765 -0.766 377 H ARG 48 H ARG 48 -12.354 4.546 2.644 378 HA ARG 48 HA ARG 48 -13.861 6.814 1.991 379 HB2 ARG 48 2HB ARG 48 -14.000 5.159 4.550 380 HB3 ARG 48 3HB ARG 48 -15.266 6.222 3.944 381 HG2 ARG 48 2HG ARG 48 -15.560 4.760 1.975 382 HG3 ARG 48 3HG ARG 48 -14.274 3.705 2.566 383 HD2 ARG 48 2HD ARG 48 -15.628 3.251 4.611 384 HD3 ARG 48 3HD ARG 48 -16.932 4.239 3.948 385 HE ARG 48 HE ARG 48 -16.086 1.579 3.070 386 HH11 ARG 48 1HH1 ARG 48 -18.239 4.307 2.497 387 HH12 ARG 48 2HH1 ARG 48 -19.323 3.393 1.500 388 HH21 ARG 48 1HH2 ARG 48 -17.534 0.390 1.817 389 HH22 ARG 48 2HH2 ARG 48 -18.919 1.165 1.115 390 H GLU 49 H GLU 49 -11.399 6.327 4.475 391 HA GLU 49 HA GLU 49 -12.023 8.535 6.159 392 HB2 GLU 49 2HB GLU 49 -9.260 7.275 5.838 393 HB3 GLU 49 3HB GLU 49 -9.887 8.125 7.247 394 HG2 GLU 49 2HG GLU 49 -10.669 5.388 6.232 395 HG3 GLU 49 3HG GLU 49 -9.874 5.787 7.753 396 H LEU 50 H LEU 50 -9.619 8.090 3.583 397 HA LEU 50 HA LEU 50 -8.565 10.768 3.739 398 HB2 LEU 50 2HB LEU 50 -8.162 8.639 1.596 399 HB3 LEU 50 3HB LEU 50 -7.183 10.082 1.809 400 HG LEU 50 HG LEU 50 -7.359 7.765 3.783 401 HD11 LEU 50 1HD1 LEU 50 -5.088 8.543 1.926 402 HD12 LEU 50 2HD1 LEU 50 -6.141 7.137 1.758 403 HD13 LEU 50 3HD1 LEU 50 -5.046 7.253 3.133 404 HD21 LEU 50 1HD2 LEU 50 -5.615 10.253 3.912 405 HD22 LEU 50 2HD2 LEU 50 -5.519 8.869 5.005 406 HD23 LEU 50 3HD2 LEU 50 -6.968 9.868 4.978 407 H GLN 51 H GLN 51 -10.951 9.095 1.797 408 HA GLN 51 HA GLN 51 -11.194 11.073 -0.289 409 HB2 GLN 51 2HB GLN 51 -11.596 8.640 -0.659 410 HB3 GLN 51 3HB GLN 51 -12.992 8.703 0.409 411 HG2 GLN 51 2HG GLN 51 -14.108 10.249 -1.169 412 HG3 GLN 51 3HG GLN 51 -12.708 10.156 -2.242 413 HE21 GLN 51 1HE2 GLN 51 -12.310 8.194 -3.372 414 HE22 GLN 51 2HE2 GLN 51 -13.544 6.999 -3.571 415 H LYS 52 H LYS 52 -12.791 10.398 2.780 416 HA LYS 52 HA LYS 52 -15.088 12.078 2.489 417 HB2 LYS 52 2HB LYS 52 -14.882 10.313 4.238 418 HB3 LYS 52 3HB LYS 52 -13.613 11.236 5.030 419 HG2 LYS 52 2HG LYS 52 -15.250 13.053 5.476 420 HG3 LYS 52 3HG LYS 52 -16.516 12.078 4.722 421 HD2 LYS 52 2HD LYS 52 -16.166 10.318 6.457 422 HD3 LYS 52 3HD LYS 52 -14.926 11.324 7.211 423 HE2 LYS 52 2HE LYS 52 -17.855 12.066 6.917 424 HE3 LYS 52 3HE LYS 52 -17.085 11.483 8.392 425 HZ1 LYS 52 1HZ LYS 52 -17.299 13.878 8.410 426 HZ2 LYS 52 2HZ LYS 52 -16.423 14.007 6.971 427 HZ3 LYS 52 3HZ LYS 52 -15.665 13.443 8.376 428 H GLN 53 H GLN 53 -11.828 12.561 3.766 429 HA GLN 53 HA GLN 53 -12.089 15.361 4.378 430 HB2 GLN 53 2HB GLN 53 -9.604 13.654 3.917 431 HB3 GLN 53 3HB GLN 53 -9.614 15.275 4.614 432 HG2 GLN 53 2HG GLN 53 -10.869 14.471 6.557 433 HG3 GLN 53 3HG GLN 53 -10.981 12.863 5.843 434 HE21 GLN 53 1HE2 GLN 53 -9.110 11.566 5.742 435 HE22 GLN 53 2HE2 GLN 53 -7.733 11.880 6.736 436 H GLY 54 H GLY 54 -11.240 13.462 1.565 437 HA2 GLY 54 2HA GLY 54 -11.305 14.069 -0.670 438 HA3 GLY 54 3HA GLY 54 -11.441 15.758 -0.206 439 H ILE 55 H ILE 55 -8.946 13.650 1.026 440 HA ILE 55 HA ILE 55 -6.814 15.370 0.244 441 HB ILE 55 HB ILE 55 -6.678 12.508 1.322 442 HG12 ILE 55 2HG1 ILE 55 -6.491 15.140 2.871 443 HG13 ILE 55 3HG1 ILE 55 -7.918 14.112 2.820 444 HG21 ILE 55 1HG2 ILE 55 -4.550 13.186 0.277 445 HG22 ILE 55 2HG2 ILE 55 -4.364 13.083 2.027 446 HG23 ILE 55 3HG2 ILE 55 -4.518 14.660 1.249 447 HD11 ILE 55 1HD1 ILE 55 -6.705 13.781 4.865 448 HD12 ILE 55 2HD1 ILE 55 -5.240 13.370 3.977 449 HD13 ILE 55 3HD1 ILE 55 -6.652 12.312 3.892 450 H HIS 56 H HIS 56 -6.094 15.499 -1.792 451 HA HIS 56 HA HIS 56 -6.064 13.203 -3.622 452 HB2 HIS 56 2HB HIS 56 -6.795 15.379 -4.511 453 HB3 HIS 56 3HB HIS 56 -5.301 16.136 -3.975 454 HD1 HIS 56 HD1 HIS 56 -6.659 13.849 -6.635 455 HD2 HIS 56 HD2 HIS 56 -3.111 15.748 -5.658 456 HE1 HIS 56 HE1 HIS 56 -5.213 13.654 -8.675 457 HE2 HIS 56 HE2 HIS 56 -3.123 14.927 -8.107 458 H PHE 57 H PHE 57 -4.356 11.846 -3.392 459 HA PHE 57 HA PHE 57 -1.663 12.926 -2.780 460 HB2 PHE 57 2HB PHE 57 -1.247 10.888 -1.348 461 HB3 PHE 57 3HB PHE 57 -2.444 11.992 -0.685 462 HD1 PHE 57 HD1 PHE 57 -1.869 8.613 -1.980 463 HD2 PHE 57 HD2 PHE 57 -4.865 11.400 -0.726 464 HE1 PHE 57 HE1 PHE 57 -3.510 6.795 -1.837 465 HE2 PHE 57 HE2 PHE 57 -6.496 9.571 -0.587 466 HZ PHE 57 HZ PHE 57 -5.814 7.290 -1.150 467 H GLU 58 H GLU 58 -0.068 12.133 -4.039 468 HA GLU 58 HA GLU 58 -0.668 9.896 -5.893 469 HB2 GLU 58 2HB GLU 58 0.672 12.554 -6.539 470 HB3 GLU 58 3HB GLU 58 0.639 11.176 -7.637 471 HG2 GLU 58 2HG GLU 58 -1.854 11.281 -7.646 472 HG3 GLU 58 3HG GLU 58 -1.773 12.702 -6.609 473 H VAL 59 H VAL 59 0.869 8.421 -6.122 474 HA VAL 59 HA VAL 59 3.114 8.238 -4.391 475 HB VAL 59 HB VAL 59 2.412 6.608 -6.881 476 HG11 VAL 59 1HG1 VAL 59 3.854 4.847 -5.921 477 HG12 VAL 59 2HG1 VAL 59 4.318 5.939 -4.617 478 HG13 VAL 59 3HG1 VAL 59 4.763 6.315 -6.279 479 HG21 VAL 59 1HG2 VAL 59 1.400 4.979 -5.325 480 HG22 VAL 59 2HG2 VAL 59 0.609 6.551 -5.199 481 HG23 VAL 59 3HG2 VAL 59 1.759 6.041 -3.961 482 H LYS 60 H LYS 60 5.063 9.188 -4.657 483 HA LYS 60 HA LYS 60 5.815 10.325 -7.294 484 HB2 LYS 60 2HB LYS 60 6.897 11.052 -4.534 485 HB3 LYS 60 3HB LYS 60 7.187 11.922 -6.037 486 HG2 LYS 60 2HG LYS 60 4.526 11.658 -4.613 487 HG3 LYS 60 3HG LYS 60 5.562 13.083 -4.603 488 HD2 LYS 60 2HD LYS 60 4.281 11.905 -7.100 489 HD3 LYS 60 3HD LYS 60 3.603 13.237 -6.170 490 HE2 LYS 60 2HE LYS 60 5.676 14.559 -6.620 491 HE3 LYS 60 3HE LYS 60 6.257 13.242 -7.643 492 HZ1 LYS 60 1HZ LYS 60 4.326 13.548 -9.067 493 HZ2 LYS 60 2HZ LYS 60 5.211 14.986 -8.946 494 HZ3 LYS 60 3HZ LYS 60 3.765 14.806 -8.083 495 H ARG 61 H ARG 61 7.266 8.756 -4.434 496 HA ARG 61 HA ARG 61 9.447 7.636 -6.111 497 HB2 ARG 61 2HB ARG 61 10.266 9.651 -4.899 498 HB3 ARG 61 3HB ARG 61 9.702 8.982 -3.373 499 HG2 ARG 61 2HG ARG 61 11.338 7.025 -3.808 500 HG3 ARG 61 3HG ARG 61 12.018 8.030 -5.090 501 HD2 ARG 61 2HD ARG 61 11.891 8.695 -2.128 502 HD3 ARG 61 3HD ARG 61 13.336 8.300 -3.065 503 HE ARG 61 HE ARG 61 12.405 10.465 -4.359 504 HH11 ARG 61 1HH1 ARG 61 13.033 9.926 -0.933 505 HH12 ARG 61 2HH1 ARG 61 13.390 11.598 -0.627 506 HH21 ARG 61 1HH2 ARG 61 12.869 12.647 -3.941 507 HH22 ARG 61 2HH2 ARG 61 13.297 13.135 -2.329 508 H VAL 62 H VAL 62 9.488 5.453 -5.843 509 HA VAL 62 HA VAL 62 8.631 4.284 -3.245 510 HB VAL 62 HB VAL 62 8.522 2.917 -5.996 511 HG11 VAL 62 1HG1 VAL 62 7.525 1.917 -3.291 512 HG12 VAL 62 2HG1 VAL 62 8.948 1.323 -4.147 513 HG13 VAL 62 3HG1 VAL 62 7.343 1.083 -4.836 514 HG21 VAL 62 1HG2 VAL 62 6.066 3.035 -5.783 515 HG22 VAL 62 2HG2 VAL 62 6.790 4.644 -5.819 516 HG23 VAL 62 3HG2 VAL 62 6.234 3.961 -4.290 517 H GLU 63 H GLU 63 10.405 3.720 -2.160 518 HA GLU 63 HA GLU 63 12.631 2.366 -3.578 519 HB2 GLU 63 2HB GLU 63 12.634 3.834 -0.905 520 HB3 GLU 63 3HB GLU 63 14.014 2.966 -1.579 521 HG2 GLU 63 2HG GLU 63 14.030 4.527 -3.515 522 HG3 GLU 63 3HG GLU 63 12.678 5.403 -2.805 523 H VAL 64 H VAL 64 12.255 0.258 -3.480 524 HA VAL 64 HA VAL 64 11.090 -0.993 -1.084 525 HB VAL 64 HB VAL 64 10.051 -1.526 -3.284 526 HG11 VAL 64 1HG1 VAL 64 11.168 -2.927 -4.967 527 HG12 VAL 64 2HG1 VAL 64 12.679 -2.836 -4.057 528 HG13 VAL 64 3HG1 VAL 64 11.993 -1.377 -4.773 529 HG21 VAL 64 1HG2 VAL 64 11.399 -3.924 -2.003 530 HG22 VAL 64 2HG2 VAL 64 9.963 -3.970 -3.029 531 HG23 VAL 64 3HG2 VAL 64 9.902 -3.157 -1.466 532 H THR 65 H THR 65 12.384 -2.067 0.297 533 HA THR 65 HA THR 65 15.025 -3.083 -0.533 534 HB THR 65 HB THR 65 15.476 -0.846 0.415 535 HG1 THR 65 HG1 THR 65 16.985 -2.493 0.864 536 HG21 THR 65 1HG2 THR 65 13.498 -0.603 1.894 537 HG22 THR 65 2HG2 THR 65 15.002 -0.298 2.765 538 HG23 THR 65 3HG2 THR 65 14.154 -1.832 2.974 539 H THR 66 H THR 66 15.606 -4.954 0.513 540 HA THR 66 HA THR 66 13.534 -6.246 2.162 541 HB THR 66 HB THR 66 14.799 -8.360 1.636 542 HG1 THR 66 HG1 THR 66 16.851 -7.518 1.215 543 HG21 THR 66 1HG2 THR 66 13.960 -6.716 -0.787 544 HG22 THR 66 2HG2 THR 66 12.884 -7.674 0.229 545 HG23 THR 66 3HG2 THR 66 14.118 -8.474 -0.737 546 H ASP 67 H ASP 67 13.811 -6.169 4.281 547 HA ASP 67 HA ASP 67 16.526 -6.087 5.479 548 HB2 ASP 67 2HB ASP 67 15.055 -4.079 5.880 549 HB3 ASP 67 3HB ASP 67 13.859 -5.128 6.637 550 H GLY 68 H GLY 68 16.893 -8.249 5.612 551 HA2 GLY 68 2HA GLY 68 16.796 -10.425 6.315 552 HA3 GLY 68 3HA GLY 68 15.496 -9.984 7.417 553 H ASN 69 H ASN 69 13.663 -11.043 6.988 554 HA ASN 69 HA ASN 69 12.970 -11.824 4.218 555 HB2 ASN 69 2HB ASN 69 11.837 -12.766 6.893 556 HB3 ASN 69 3HB ASN 69 11.222 -13.275 5.322 557 HD21 ASN 69 1HD2 ASN 69 13.892 -13.499 7.554 558 HD22 ASN 69 2HD2 ASN 69 14.657 -14.859 6.810 559 H THR 70 H THR 70 12.300 -9.430 6.499 560 HA THR 70 HA THR 70 9.559 -8.892 5.592 561 HB THR 70 HB THR 70 11.238 -7.443 7.695 562 HG1 THR 70 HG1 THR 70 9.392 -9.596 7.860 563 HG21 THR 70 1HG2 THR 70 9.403 -6.040 6.800 564 HG22 THR 70 2HG2 THR 70 9.078 -6.524 8.464 565 HG23 THR 70 3HG2 THR 70 8.250 -7.329 7.131 566 H VAL 71 H VAL 71 9.250 -7.552 3.928 567 HA VAL 71 HA VAL 71 11.406 -5.885 2.858 568 HB VAL 71 HB VAL 71 8.571 -6.392 1.797 569 HG11 VAL 71 1HG1 VAL 71 10.950 -5.052 0.444 570 HG12 VAL 71 2HG1 VAL 71 9.461 -4.261 0.967 571 HG13 VAL 71 3HG1 VAL 71 9.414 -5.446 -0.337 572 HG21 VAL 71 1HG2 VAL 71 9.654 -7.908 0.169 573 HG22 VAL 71 2HG2 VAL 71 9.929 -8.447 1.825 574 HG23 VAL 71 3HG2 VAL 71 11.218 -7.629 0.942 575 H ASN 72 H ASN 72 11.377 -3.682 2.906 576 HA ASN 72 HA ASN 72 9.182 -2.234 4.272 577 HB2 ASN 72 2HB ASN 72 12.202 -1.729 4.390 578 HB3 ASN 72 3HB ASN 72 10.984 -0.647 5.064 579 HD21 ASN 72 1HD2 ASN 72 12.436 -3.846 5.351 580 HD22 ASN 72 2HD2 ASN 72 11.950 -4.122 6.983 581 H VAL 73 H VAL 73 8.133 -1.217 2.698 582 HA VAL 73 HA VAL 73 9.548 0.005 0.424 583 HB VAL 73 HB VAL 73 6.544 -0.392 0.897 584 HG11 VAL 73 1HG1 VAL 73 6.951 1.595 -0.485 585 HG12 VAL 73 2HG1 VAL 73 6.274 0.306 -1.475 586 HG13 VAL 73 3HG1 VAL 73 7.998 0.669 -1.561 587 HG21 VAL 73 1HG2 VAL 73 7.724 -2.523 0.510 588 HG22 VAL 73 2HG2 VAL 73 8.448 -1.876 -0.963 589 HG23 VAL 73 3HG2 VAL 73 6.701 -2.126 -0.873 590 H THR 74 H THR 74 10.383 1.889 1.125 591 HA THR 74 HA THR 74 8.787 3.819 2.655 592 HB THR 74 HB THR 74 11.669 3.979 1.639 593 HG1 THR 74 HG1 THR 74 10.755 3.541 4.312 594 HG21 THR 74 1HG2 THR 74 10.193 5.777 3.611 595 HG22 THR 74 2HG2 THR 74 10.738 6.239 1.999 596 HG23 THR 74 3HG2 THR 74 11.923 5.857 3.244 597 H VAL 75 H VAL 75 7.340 4.827 1.417 598 HA VAL 75 HA VAL 75 8.067 5.746 -1.295 599 HB VAL 75 HB VAL 75 6.461 3.994 -1.577 600 HG11 VAL 75 1HG1 VAL 75 5.576 3.853 0.695 601 HG12 VAL 75 2HG1 VAL 75 4.280 3.881 -0.497 602 HG13 VAL 75 3HG1 VAL 75 4.646 5.332 0.438 603 HG21 VAL 75 1HG2 VAL 75 5.005 6.643 -1.857 604 HG22 VAL 75 2HG2 VAL 75 4.544 5.135 -2.649 605 HG23 VAL 75 3HG2 VAL 75 6.079 5.905 -3.048 606 H GLU 76 H GLU 76 8.122 7.847 -1.518 607 HA GLU 76 HA GLU 76 6.896 9.699 0.365 608 HB2 GLU 76 2HB GLU 76 9.219 10.080 -0.539 609 HB3 GLU 76 3HB GLU 76 8.546 10.221 -2.160 610 HG2 GLU 76 2HG GLU 76 9.003 12.433 -1.301 611 HG3 GLU 76 3HG GLU 76 7.259 12.217 -1.434 612 H LEU 77 H LEU 77 4.862 10.397 0.047 613 HA LEU 77 HA LEU 77 3.688 10.414 -2.677 614 HB2 LEU 77 2HB LEU 77 2.291 10.342 0.038 615 HB3 LEU 77 3HB LEU 77 1.462 10.602 -1.490 616 HG LEU 77 HG LEU 77 2.380 8.290 -2.224 617 HD11 LEU 77 1HD1 LEU 77 2.895 8.002 0.738 618 HD12 LEU 77 2HD1 LEU 77 4.095 7.971 -0.553 619 HD13 LEU 77 3HD1 LEU 77 2.892 6.691 -0.445 620 HD21 LEU 77 1HD2 LEU 77 0.531 7.107 -1.149 621 HD22 LEU 77 2HD2 LEU 77 0.023 8.716 -1.653 622 HD23 LEU 77 3HD2 LEU 77 0.371 8.394 0.049 623 H GLU 78 H GLU 78 2.289 12.218 -3.165 624 HA GLU 78 HA GLU 78 3.050 14.788 -1.893 625 HB2 GLU 78 2HB GLU 78 3.950 14.679 -4.125 626 HB3 GLU 78 3HB GLU 78 2.455 14.041 -4.790 627 HG2 GLU 78 2HG GLU 78 1.379 16.237 -4.349 628 HG3 GLU 78 3HG GLU 78 2.927 16.851 -3.776 629 H GLU 79 H GLU 79 1.353 15.223 -0.551 630 HA GLU 79 HA GLU 79 -1.400 14.629 -1.431 631 HB2 GLU 79 2HB GLU 79 -0.504 15.462 1.363 632 HB3 GLU 79 3HB GLU 79 -2.066 14.805 0.882 633 HG2 GLU 79 2HG GLU 79 -0.715 12.689 0.173 634 HG3 GLU 79 3HG GLU 79 0.576 13.368 1.154 635 H THR 80 H THR 80 -2.012 16.295 -2.689 636 HA THR 80 HA THR 80 -1.757 19.081 -1.844 637 HB THR 80 HB THR 80 -3.196 17.889 -4.277 638 HG1 THR 80 HG1 THR 80 -0.981 17.398 -4.358 639 HG21 THR 80 1HG2 THR 80 -2.211 20.731 -3.759 640 HG22 THR 80 2HG2 THR 80 -3.896 20.215 -3.736 641 HG23 THR 80 3HG2 THR 80 -2.983 20.152 -5.241 642 H THR 81 H THR 81 -3.111 19.535 -0.178 643 HA THR 81 HA THR 81 -5.954 18.775 -0.320 644 HB THR 81 HB THR 81 -5.034 17.132 1.169 645 HG1 THR 81 HG1 THR 81 -5.946 18.284 3.298 646 HG21 THR 81 1HG2 THR 81 -3.742 17.640 3.195 647 HG22 THR 81 2HG2 THR 81 -3.749 19.358 2.798 648 HG23 THR 81 3HG2 THR 81 -2.885 18.215 1.765 649 H GLY 82 H GLY 82 -7.214 20.483 -0.157 650 HA2 GLY 82 2HA GLY 82 -8.132 22.481 0.511 651 HA3 GLY 82 3HA GLY 82 -6.873 22.629 1.724 652 H GLY 83 H GLY 83 -5.395 22.150 -1.230 653 HA2 GLY 83 2HA GLY 83 -4.925 23.859 -2.941 654 HA3 GLY 83 3HA GLY 83 -4.933 25.059 -1.653 655 H THR 84 H THR 84 -3.557 23.362 0.247 656 HA THR 84 HA THR 84 -0.844 24.029 -0.546 657 HB THR 84 HB THR 84 -0.320 23.364 1.858 658 HG1 THR 84 HG1 THR 84 -2.521 22.084 1.816 659 HG21 THR 84 1HG2 THR 84 -2.518 25.441 1.502 660 HG22 THR 84 2HG2 THR 84 -0.789 25.724 1.302 661 HG23 THR 84 3HG2 THR 84 -1.428 25.319 2.892 662 H THR 85 H THR 85 0.573 22.601 -1.354 663 HA THR 85 HA THR 85 0.002 19.728 -1.381 664 HB THR 85 HB THR 85 2.123 21.383 -2.837 665 HG1 THR 85 HG1 THR 85 -0.190 20.143 -3.933 666 HG21 THR 85 1HG2 THR 85 1.331 18.482 -3.242 667 HG22 THR 85 2HG2 THR 85 2.866 19.059 -2.589 668 HG23 THR 85 3HG2 THR 85 2.441 19.407 -4.262 669 H THR 86 H THR 86 0.668 18.795 0.480 670 HA THR 86 HA THR 86 3.412 19.254 1.494 671 HB THR 86 HB THR 86 1.012 18.082 2.999 672 HG1 THR 86 HG1 THR 86 2.129 20.697 2.944 673 HG21 THR 86 1HG2 THR 86 3.725 19.008 4.034 674 HG22 THR 86 2HG2 THR 86 3.218 17.324 3.874 675 HG23 THR 86 3HG2 THR 86 2.396 18.389 5.016 676 H ASN 87 H ASN 87 4.782 17.597 1.064 677 HA ASN 87 HA ASN 87 3.885 15.024 0.087 678 HB2 ASN 87 2HB ASN 87 6.672 16.083 0.764 679 HB3 ASN 87 3HB ASN 87 6.368 14.488 0.078 680 HD21 ASN 87 1HD2 ASN 87 5.705 14.332 -2.090 681 HD22 ASN 87 2HD2 ASN 87 5.862 15.660 -3.189 682 H THR 88 H THR 88 3.608 13.212 1.280 683 HA THR 88 HA THR 88 4.516 13.118 4.095 684 HB THR 88 HB THR 88 1.806 12.175 3.032 685 HG1 THR 88 HG1 THR 88 1.052 14.013 3.810 686 HG21 THR 88 1HG2 THR 88 2.599 10.717 4.883 687 HG22 THR 88 2HG2 THR 88 1.258 11.732 5.416 688 HG23 THR 88 3HG2 THR 88 2.910 12.140 5.879 689 H THR 89 H THR 89 5.668 11.336 4.546 690 HA THR 89 HA THR 89 6.089 9.344 2.448 691 HB THR 89 HB THR 89 7.537 9.569 5.135 692 HG1 THR 89 HG1 THR 89 7.723 11.132 2.853 693 HG21 THR 89 1HG2 THR 89 9.360 8.375 3.953 694 HG22 THR 89 2HG2 THR 89 8.370 8.294 2.494 695 HG23 THR 89 3HG2 THR 89 7.879 7.416 3.945 696 H TYR 90 H TYR 90 4.923 7.512 2.496 697 HA TYR 90 HA TYR 90 3.921 6.398 5.051 698 HB2 TYR 90 2HB TYR 90 3.177 5.834 2.143 699 HB3 TYR 90 3HB TYR 90 2.606 4.855 3.488 700 HD1 TYR 90 HD1 TYR 90 2.702 8.527 2.543 701 HD2 TYR 90 HD2 TYR 90 0.437 5.315 4.215 702 HE1 TYR 90 HE1 TYR 90 0.749 10.010 2.753 703 HE2 TYR 90 HE2 TYR 90 -1.505 6.793 4.424 704 HH TYR 90 HH TYR 90 -1.656 9.898 2.968 705 H GLU 91 H GLU 91 4.834 4.557 5.799 706 HA GLU 91 HA GLU 91 6.803 3.127 4.104 707 HB2 GLU 91 2HB GLU 91 6.886 3.624 7.112 708 HB3 GLU 91 3HB GLU 91 7.981 2.546 6.249 709 HG2 GLU 91 2HG GLU 91 8.700 4.515 4.842 710 HG3 GLU 91 3HG GLU 91 7.728 5.545 5.891 711 H LEU 92 H LEU 92 5.838 1.392 3.414 712 HA LEU 92 HA LEU 92 3.883 -0.081 5.038 713 HB2 LEU 92 2HB LEU 92 4.588 -0.303 2.077 714 HB3 LEU 92 3HB LEU 92 3.364 -1.256 2.898 715 HG LEU 92 HG LEU 92 2.171 0.970 3.422 716 HD11 LEU 92 1HD1 LEU 92 3.998 2.044 1.264 717 HD12 LEU 92 2HD1 LEU 92 4.038 2.489 2.971 718 HD13 LEU 92 3HD1 LEU 92 2.626 2.877 1.998 719 HD21 LEU 92 1HD2 LEU 92 1.339 -0.608 1.750 720 HD22 LEU 92 2HD2 LEU 92 2.375 0.119 0.522 721 HD23 LEU 92 3HD2 LEU 92 1.063 1.057 1.239 722 H ARG 93 H ARG 93 4.853 -1.512 6.286 723 HA ARG 93 HA ARG 93 7.328 -2.880 5.499 724 HB2 ARG 93 2HB ARG 93 7.191 -1.672 7.688 725 HB3 ARG 93 3HB ARG 93 5.879 -2.730 8.186 726 HG2 ARG 93 2HG ARG 93 7.425 -4.671 8.064 727 HG3 ARG 93 3HG ARG 93 8.734 -3.573 7.617 728 HD2 ARG 93 2HD ARG 93 8.451 -2.384 9.776 729 HD3 ARG 93 3HD ARG 93 7.177 -3.521 10.230 730 HE ARG 93 HE ARG 93 10.055 -4.031 10.077 731 HH11 ARG 93 1HH1 ARG 93 6.864 -5.380 10.696 732 HH12 ARG 93 2HH1 ARG 93 7.485 -6.793 11.487 733 HH21 ARG 93 1HH2 ARG 93 10.851 -5.883 11.080 734 HH22 ARG 93 2HH2 ARG 93 9.750 -7.074 11.704 735 H PHE 94 H PHE 94 6.751 -4.552 4.217 736 HA PHE 94 HA PHE 94 4.388 -6.179 4.696 737 HB2 PHE 94 2HB PHE 94 6.546 -6.228 2.534 738 HB3 PHE 94 3HB PHE 94 5.201 -7.362 2.585 739 HD1 PHE 94 HD1 PHE 94 6.151 -3.841 1.984 740 HD2 PHE 94 HD2 PHE 94 2.929 -6.656 2.024 741 HE1 PHE 94 HE1 PHE 94 4.734 -2.248 0.763 742 HE2 PHE 94 HE2 PHE 94 1.523 -5.053 0.801 743 HZ PHE 94 HZ PHE 94 2.422 -2.848 0.169 744 H GLU 95 H GLU 95 4.530 -7.628 6.241 745 HA GLU 95 HA GLU 95 7.053 -9.020 6.845 746 HB2 GLU 95 2HB GLU 95 5.868 -7.734 8.663 747 HB3 GLU 95 3HB GLU 95 4.509 -8.843 8.516 748 HG2 GLU 95 2HG GLU 95 5.996 -10.719 9.172 749 HG3 GLU 95 3HG GLU 95 7.337 -9.588 9.345 750 H VAL 96 H VAL 96 7.260 -11.084 6.317 751 HA VAL 96 HA VAL 96 5.099 -12.432 4.897 752 HB VAL 96 HB VAL 96 6.820 -14.020 4.139 753 HG11 VAL 96 1HG1 VAL 96 8.214 -12.461 2.837 754 HG12 VAL 96 2HG1 VAL 96 7.757 -11.135 3.909 755 HG13 VAL 96 3HG1 VAL 96 6.537 -11.917 2.901 756 HG21 VAL 96 1HG2 VAL 96 8.785 -12.486 5.895 757 HG22 VAL 96 2HG2 VAL 96 9.202 -13.768 4.754 758 HG23 VAL 96 3HG2 VAL 96 8.221 -14.136 6.170 759 H ASP 97 H ASP 97 4.213 -14.346 5.439 760 HA ASP 97 HA ASP 97 5.153 -15.854 7.808 761 HB2 ASP 97 2HB ASP 97 2.303 -15.489 6.776 762 HB3 ASP 97 3HB ASP 97 2.752 -16.692 7.978 763 H GLY 98 H GLY 98 6.442 -17.265 6.780 764 HA2 GLY 98 2HA GLY 98 7.022 -19.190 5.708 765 HA3 GLY 98 3HA GLY 98 5.328 -19.443 5.324 766 H ASP 99 H ASP 99 4.701 -19.167 3.279 767 HA ASP 99 HA ASP 99 6.742 -18.627 1.257 768 HB2 ASP 99 2HB ASP 99 5.172 -19.687 -0.307 769 HB3 ASP 99 3HB ASP 99 5.360 -20.694 1.122 770 H THR 100 H THR 100 4.229 -16.857 2.734 771 HA THR 100 HA THR 100 3.873 -15.060 0.403 772 HB THR 100 HB THR 100 1.981 -16.657 0.450 773 HG1 THR 100 HG1 THR 100 0.375 -15.092 0.344 774 HG21 THR 100 1HG2 THR 100 1.937 -17.189 2.869 775 HG22 THR 100 2HG2 THR 100 0.351 -16.658 2.306 776 HG23 THR 100 3HG2 THR 100 1.374 -15.552 3.222 777 H ILE 101 H ILE 101 2.847 -12.989 1.018 778 HA ILE 101 HA ILE 101 3.734 -11.994 3.648 779 HB ILE 101 HB ILE 101 2.492 -10.370 1.363 780 HG12 ILE 101 2HG1 ILE 101 5.480 -10.819 1.838 781 HG13 ILE 101 3HG1 ILE 101 4.550 -11.536 0.530 782 HG21 ILE 101 1HG2 ILE 101 4.241 -9.526 3.710 783 HG22 ILE 101 2HG2 ILE 101 2.499 -9.278 3.574 784 HG23 ILE 101 3HG2 ILE 101 3.593 -8.454 2.464 785 HD11 ILE 101 1HD1 ILE 101 5.836 -9.651 -0.252 786 HD12 ILE 101 2HD1 ILE 101 5.066 -8.590 0.925 787 HD13 ILE 101 3HD1 ILE 101 4.113 -9.302 -0.381 788 H ARG 102 H ARG 102 2.215 -11.958 5.267 789 HA ARG 102 HA ARG 102 -0.675 -11.942 4.579 790 HB2 ARG 102 2HB ARG 102 0.708 -12.841 7.143 791 HB3 ARG 102 3HB ARG 102 -1.030 -12.838 6.888 792 HG2 ARG 102 2HG ARG 102 0.957 -14.522 5.342 793 HG3 ARG 102 3HG ARG 102 -0.027 -15.088 6.687 794 HD2 ARG 102 2HD ARG 102 -1.169 -15.844 4.775 795 HD3 ARG 102 3HD ARG 102 -2.066 -14.398 5.247 796 HE ARG 102 HE ARG 102 -0.085 -13.686 3.385 797 HH11 ARG 102 1HH1 ARG 102 -3.117 -15.467 3.441 798 HH12 ARG 102 2HH1 ARG 102 -3.467 -15.140 1.774 799 HH21 ARG 102 1HH2 ARG 102 -0.538 -13.303 1.203 800 HH22 ARG 102 2HH2 ARG 102 -2.011 -13.922 0.515 801 H ARG 103 H ARG 103 1.805 -9.981 5.833 802 HA ARG 103 HA ARG 103 -0.089 -8.214 7.266 803 HB2 ARG 103 2HB ARG 103 2.704 -9.079 8.147 804 HB3 ARG 103 3HB ARG 103 1.840 -7.724 8.866 805 HG2 ARG 103 2HG ARG 103 0.055 -9.272 9.623 806 HG3 ARG 103 3HG ARG 103 0.950 -10.625 8.924 807 HD2 ARG 103 2HD ARG 103 2.819 -10.221 10.465 808 HD3 ARG 103 3HD ARG 103 2.000 -8.798 11.107 809 HE ARG 103 HE ARG 103 0.520 -10.152 12.282 810 HH11 ARG 103 1HH1 ARG 103 2.701 -12.134 10.374 811 HH12 ARG 103 2HH1 ARG 103 2.327 -13.593 11.235 812 HH21 ARG 103 1HH2 ARG 103 0.082 -12.052 13.447 813 HH22 ARG 103 2HH2 ARG 103 0.842 -13.544 12.985 814 H VAL 104 H VAL 104 0.254 -6.053 7.080 815 HA VAL 104 HA VAL 104 2.694 -4.973 5.916 816 HB VAL 104 HB VAL 104 1.344 -5.206 3.909 817 HG11 VAL 104 1HG1 VAL 104 -0.900 -3.698 5.287 818 HG12 VAL 104 2HG1 VAL 104 -0.892 -5.414 4.877 819 HG13 VAL 104 3HG1 VAL 104 -0.879 -4.205 3.594 820 HG21 VAL 104 1HG2 VAL 104 2.690 -3.162 4.062 821 HG22 VAL 104 2HG2 VAL 104 1.343 -2.300 4.809 822 HG23 VAL 104 3HG2 VAL 104 1.218 -2.855 3.138 823 H THR 105 H THR 105 3.326 -3.648 7.479 824 HA THR 105 HA THR 105 1.466 -2.157 9.181 825 HB THR 105 HB THR 105 4.504 -2.473 9.227 826 HG1 THR 105 HG1 THR 105 2.462 -3.568 10.892 827 HG21 THR 105 1HG2 THR 105 3.899 -0.301 10.223 828 HG22 THR 105 2HG2 THR 105 4.471 -1.426 11.454 829 HG23 THR 105 3HG2 THR 105 2.746 -1.110 11.290 830 H VAL 106 H VAL 106 0.689 -0.379 8.096 831 HA VAL 106 HA VAL 106 2.514 1.239 6.421 832 HB VAL 106 HB VAL 106 -0.519 1.590 6.630 833 HG11 VAL 106 1HG1 VAL 106 1.505 2.563 4.568 834 HG12 VAL 106 2HG1 VAL 106 0.667 3.552 5.763 835 HG13 VAL 106 3HG1 VAL 106 -0.240 2.789 4.461 836 HG21 VAL 106 1HG2 VAL 106 -0.096 -0.691 5.828 837 HG22 VAL 106 2HG2 VAL 106 0.998 -0.082 4.588 838 HG23 VAL 106 3HG2 VAL 106 -0.721 0.309 4.515 839 H THR 107 H THR 107 3.520 2.789 7.547 840 HA THR 107 HA THR 107 2.078 4.288 9.652 841 HB THR 107 HB THR 107 5.078 4.126 9.092 842 HG1 THR 107 HG1 THR 107 3.328 2.714 10.790 843 HG21 THR 107 1HG2 THR 107 4.464 6.283 10.124 844 HG22 THR 107 2HG2 THR 107 5.307 5.262 11.291 845 HG23 THR 107 3HG2 THR 107 3.555 5.445 11.377 846 H GLN 108 H GLN 108 1.254 6.162 9.013 847 HA GLN 108 HA GLN 108 2.138 7.591 6.633 848 HB2 GLN 108 2HB GLN 108 -0.272 7.377 7.129 849 HB3 GLN 108 3HB GLN 108 -0.051 8.171 8.682 850 HG2 GLN 108 2HG GLN 108 0.586 10.255 7.518 851 HG3 GLN 108 3HG GLN 108 0.335 9.466 5.964 852 HE21 GLN 108 1HE2 GLN 108 -0.999 11.823 7.030 853 HE22 GLN 108 2HE2 GLN 108 -2.685 11.460 7.038 854 H ASN 109 H ASN 109 4.272 8.135 7.317 855 HA ASN 109 HA ASN 109 4.784 9.717 9.681 856 HB2 ASN 109 2HB ASN 109 6.645 9.167 7.323 857 HB3 ASN 109 3HB ASN 109 7.118 9.823 8.888 858 HD21 ASN 109 1HD2 ASN 109 6.189 6.975 7.141 859 HD22 ASN 109 2HD2 ASN 109 6.604 5.834 8.368 860 H GLY 110 H GLY 110 3.618 11.572 9.558 861 HA2 GLY 110 2HA GLY 110 4.732 13.781 8.101 862 HA3 GLY 110 3HA GLY 110 3.153 13.312 7.467 863 H GLY 111 H GLY 111 4.889 14.660 10.164 864 HA2 GLY 111 2HA GLY 111 3.625 16.557 11.241 865 HA3 GLY 111 3HA GLY 111 2.363 15.371 11.563 866 H SER 112 H SER 112 2.397 14.810 13.658 867 HA SER 112 HA SER 112 4.820 15.029 15.271 868 HB2 SER 112 2HB SER 112 1.976 14.292 16.090 869 HB3 SER 112 3HB SER 112 3.287 14.766 17.171 870 HG SER 112 HG SER 112 1.663 16.325 15.566 871 H LEU 113 H LEU 113 4.740 12.859 13.294 872 HA LEU 113 HA LEU 113 4.396 10.369 14.789 873 HB2 LEU 113 2HB LEU 113 5.093 10.921 11.875 874 HB3 LEU 113 3HB LEU 113 5.094 9.307 12.559 875 HG LEU 113 HG LEU 113 3.031 9.544 11.388 876 HD11 LEU 113 1HD1 LEU 113 2.833 8.365 13.512 877 HD12 LEU 113 2HD1 LEU 113 1.334 9.198 13.110 878 HD13 LEU 113 3HD1 LEU 113 2.414 9.870 14.335 879 HD21 LEU 113 1HD2 LEU 113 2.512 12.137 12.882 880 HD22 LEU 113 2HD2 LEU 113 1.389 11.339 11.777 881 HD23 LEU 113 3HD2 LEU 113 2.916 11.970 11.171 882 H GLU 114 H GLU 114 6.531 12.314 15.483 883 HA GLU 114 HA GLU 114 9.094 11.297 14.966 884 HB2 GLU 114 2HB GLU 114 8.329 13.501 16.202 885 HB3 GLU 114 3HB GLU 114 8.251 12.505 17.642 886 HG2 GLU 114 2HG GLU 114 10.743 12.950 15.969 887 HG3 GLU 114 3HG GLU 114 10.354 13.822 17.442 888 H HIS 115 H HIS 115 10.142 9.526 15.749 889 HA HIS 115 HA HIS 115 8.570 7.489 17.078 890 HB2 HIS 115 2HB HIS 115 11.373 7.435 15.896 891 HB3 HIS 115 3HB HIS 115 10.572 6.032 16.607 892 HD1 HIS 115 HD1 HIS 115 11.171 7.460 13.432 893 HD2 HIS 115 HD2 HIS 115 7.846 5.703 15.200 894 HE1 HIS 115 HE1 HIS 115 9.719 6.700 11.536 895 HE2 HIS 115 HE2 HIS 115 7.809 5.497 12.625 896 H HIS 116 H HIS 116 8.338 8.557 19.070 897 HA HIS 116 HA HIS 116 10.633 8.828 20.858 898 HB2 HIS 116 2HB HIS 116 8.889 9.635 22.509 899 HB3 HIS 116 3HB HIS 116 9.004 10.583 21.035 900 HD1 HIS 116 HD1 HIS 116 6.721 8.155 22.786 901 HD2 HIS 116 HD2 HIS 116 6.675 10.716 19.516 902 HE1 HIS 116 HE1 HIS 116 4.332 8.256 22.035 903 HE2 HIS 116 HE2 HIS 116 4.345 9.720 20.001 904 H HIS 117 H HIS 117 10.200 6.234 19.905 905 HA HIS 117 HA HIS 117 10.137 4.837 22.478 906 HB2 HIS 117 2HB HIS 117 8.776 3.848 19.928 907 HB3 HIS 117 3HB HIS 117 9.144 2.802 21.293 908 HD1 HIS 117 HD1 HIS 117 7.782 3.287 23.523 909 HD2 HIS 117 HD2 HIS 117 6.416 5.290 20.152 910 HE1 HIS 117 HE1 HIS 117 5.467 4.054 24.088 911 HE2 HIS 117 HE2 HIS 117 4.593 5.039 21.961 912 H HIS 118 H HIS 118 12.357 4.903 22.497 913 HA HIS 118 HA HIS 118 13.806 3.190 20.614 914 HB2 HIS 118 2HB HIS 118 15.543 4.848 20.155 915 HB3 HIS 118 3HB HIS 118 13.988 5.529 19.693 916 HD1 HIS 118 HD1 HIS 118 16.767 5.928 22.181 917 HD2 HIS 118 HD2 HIS 118 13.165 7.762 21.205 918 HE1 HIS 118 HE1 HIS 118 16.738 8.084 23.459 919 HE2 HIS 118 HE2 HIS 118 14.528 9.141 22.910 920 H HIS 119 H HIS 119 16.069 2.806 21.427 921 HA HIS 119 HA HIS 119 15.875 1.971 24.196 922 HB2 HIS 119 2HB HIS 119 18.029 1.537 22.077 923 HB3 HIS 119 3HB HIS 119 18.100 0.846 23.694 924 HD1 HIS 119 HD1 HIS 119 17.812 -1.588 23.208 925 HD2 HIS 119 HD2 HIS 119 14.927 0.725 21.301 926 HE1 HIS 119 HE1 HIS 119 16.213 -3.220 22.162 927 HE2 HIS 119 HE2 HIS 119 14.591 -1.798 20.874 928 H HIS 120 H HIS 120 17.937 2.153 25.572 929 HA HIS 120 HA HIS 120 18.593 4.943 25.979 930 HB2 HIS 120 2HB HIS 120 18.161 3.400 27.907 931 HB3 HIS 120 3HB HIS 120 19.580 2.454 27.474 932 HD1 HIS 120 HD1 HIS 120 21.926 3.893 27.575 933 HD2 HIS 120 HD2 HIS 120 18.677 5.429 29.673 934 HE1 HIS 120 HE1 HIS 120 22.898 5.482 29.262 935 HE2 HIS 120 HE2 HIS 120 20.918 6.488 30.427 Start of MODEL 9 1 H1 MET 1 1H MET 1 1.388 -15.372 -9.263 2 H2 MET 1 2H MET 1 1.804 -14.489 -10.634 3 H3 MET 1 3H MET 1 1.113 -13.704 -9.312 4 HA MET 1 HA MET 1 3.717 -15.076 -9.362 5 HB2 MET 1 2HB MET 1 4.657 -12.705 -9.083 6 HB3 MET 1 3HB MET 1 4.019 -13.125 -10.664 7 HG2 MET 1 2HG MET 1 3.316 -10.911 -10.244 8 HG3 MET 1 3HG MET 1 1.885 -11.912 -10.013 9 HE1 MET 1 1HE MET 1 2.147 -8.854 -9.003 10 HE2 MET 1 2HE MET 1 1.421 -8.979 -7.403 11 HE3 MET 1 3HE MET 1 0.689 -9.825 -8.766 12 H GLN 2 H GLN 2 4.982 -14.848 -7.453 13 HA GLN 2 HA GLN 2 3.561 -14.238 -4.936 14 HB2 GLN 2 2HB GLN 2 4.111 -16.420 -3.966 15 HB3 GLN 2 3HB GLN 2 3.145 -16.659 -5.412 16 HG2 GLN 2 2HG GLN 2 6.166 -16.967 -5.317 17 HG3 GLN 2 3HG GLN 2 5.030 -18.296 -5.118 18 HE21 GLN 2 1HE2 GLN 2 7.120 -17.796 -7.177 19 HE22 GLN 2 2HE2 GLN 2 6.301 -17.940 -8.690 20 H ASP 3 H ASP 3 5.977 -13.451 -6.717 21 HA ASP 3 HA ASP 3 8.399 -14.029 -5.356 22 HB2 ASP 3 2HB ASP 3 7.770 -11.765 -7.308 23 HB3 ASP 3 3HB ASP 3 9.374 -12.378 -6.910 24 H ILE 4 H ILE 4 8.772 -13.308 -3.353 25 HA ILE 4 HA ILE 4 7.162 -11.713 -1.844 26 HB ILE 4 HB ILE 4 10.106 -12.352 -1.423 27 HG12 ILE 4 2HG1 ILE 4 8.672 -14.348 -1.581 28 HG13 ILE 4 3HG1 ILE 4 9.246 -14.163 0.070 29 HG21 ILE 4 1HG2 ILE 4 9.605 -10.440 0.003 30 HG22 ILE 4 2HG2 ILE 4 9.779 -11.883 0.998 31 HG23 ILE 4 3HG2 ILE 4 8.171 -11.244 0.647 32 HD11 ILE 4 1HD1 ILE 4 7.056 -13.249 0.714 33 HD12 ILE 4 2HD1 ILE 4 6.939 -14.866 0.023 34 HD13 ILE 4 3HD1 ILE 4 6.489 -13.465 -0.947 35 H VAL 5 H VAL 5 10.154 -10.590 -3.447 36 HA VAL 5 HA VAL 5 10.178 -7.977 -2.291 37 HB VAL 5 HB VAL 5 11.563 -8.923 -4.846 38 HG11 VAL 5 1HG1 VAL 5 13.187 -7.109 -4.399 39 HG12 VAL 5 2HG1 VAL 5 12.227 -6.592 -3.011 40 HG13 VAL 5 3HG1 VAL 5 11.555 -6.477 -4.639 41 HG21 VAL 5 1HG2 VAL 5 12.598 -9.021 -1.984 42 HG22 VAL 5 2HG2 VAL 5 13.541 -9.410 -3.426 43 HG23 VAL 5 3HG2 VAL 5 12.156 -10.408 -2.980 44 H GLU 6 H GLU 6 9.276 -9.208 -5.519 45 HA GLU 6 HA GLU 6 8.527 -6.687 -6.617 46 HB2 GLU 6 2HB GLU 6 9.288 -8.740 -7.919 47 HB3 GLU 6 3HB GLU 6 7.709 -9.446 -7.608 48 HG2 GLU 6 2HG GLU 6 7.798 -8.484 -9.854 49 HG3 GLU 6 3HG GLU 6 6.629 -7.615 -8.859 50 H ALA 7 H ALA 7 6.799 -9.207 -4.956 51 HA ALA 7 HA ALA 7 4.142 -8.526 -5.698 52 HB1 ALA 7 1HB ALA 7 3.489 -10.134 -3.938 53 HB2 ALA 7 2HB ALA 7 5.164 -10.202 -3.378 54 HB3 ALA 7 3HB ALA 7 4.746 -10.796 -4.985 55 H ALA 8 H ALA 8 6.188 -7.913 -2.847 56 HA ALA 8 HA ALA 8 4.271 -6.432 -1.350 57 HB1 ALA 8 1HB ALA 8 6.184 -5.779 0.046 58 HB2 ALA 8 2HB ALA 8 7.299 -6.409 -1.172 59 HB3 ALA 8 3HB ALA 8 6.215 -7.506 -0.314 60 H LYS 9 H LYS 9 6.671 -5.547 -3.774 61 HA LYS 9 HA LYS 9 6.563 -2.727 -3.525 62 HB2 LYS 9 2HB LYS 9 8.384 -3.870 -4.718 63 HB3 LYS 9 3HB LYS 9 7.249 -4.488 -5.915 64 HG2 LYS 9 2HG LYS 9 6.809 -2.186 -6.697 65 HG3 LYS 9 3HG LYS 9 7.935 -1.556 -5.489 66 HD2 LYS 9 2HD LYS 9 9.801 -2.749 -6.575 67 HD3 LYS 9 3HD LYS 9 8.687 -3.467 -7.744 68 HE2 LYS 9 2HE LYS 9 8.162 -1.200 -8.604 69 HE3 LYS 9 3HE LYS 9 9.307 -0.506 -7.454 70 HZ1 LYS 9 1HZ LYS 9 11.084 -1.700 -8.526 71 HZ2 LYS 9 2HZ LYS 9 10.254 -0.783 -9.678 72 HZ3 LYS 9 3HZ LYS 9 10.005 -2.452 -9.585 73 H GLN 10 H GLN 10 4.884 -4.968 -5.756 74 HA GLN 10 HA GLN 10 3.225 -3.064 -7.038 75 HB2 GLN 10 2HB GLN 10 2.924 -6.080 -6.722 76 HB3 GLN 10 3HB GLN 10 1.843 -5.103 -7.711 77 HG2 GLN 10 2HG GLN 10 4.806 -5.557 -8.151 78 HG3 GLN 10 3HG GLN 10 3.479 -6.167 -9.137 79 HE21 GLN 10 1HE2 GLN 10 2.273 -4.668 -10.406 80 HE22 GLN 10 2HE2 GLN 10 2.928 -3.135 -10.851 81 H ALA 11 H ALA 11 2.889 -4.956 -4.132 82 HA ALA 11 HA ALA 11 0.137 -4.665 -3.628 83 HB1 ALA 11 1HB ALA 11 0.702 -5.336 -1.330 84 HB2 ALA 11 2HB ALA 11 2.417 -5.068 -1.665 85 HB3 ALA 11 3HB ALA 11 1.540 -6.344 -2.513 86 H ALA 12 H ALA 12 2.977 -2.817 -2.519 87 HA ALA 12 HA ALA 12 1.736 -0.978 -0.838 88 HB1 ALA 12 1HB ALA 12 3.722 0.432 -1.176 89 HB2 ALA 12 2HB ALA 12 4.183 -0.540 -2.580 90 HB3 ALA 12 3HB ALA 12 4.172 -1.263 -0.971 91 H ILE 13 H ILE 13 2.453 -0.703 -4.315 92 HA ILE 13 HA ILE 13 1.422 1.921 -4.686 93 HB ILE 13 HB ILE 13 1.744 -0.219 -6.848 94 HG12 ILE 13 2HG1 ILE 13 3.878 1.730 -5.840 95 HG13 ILE 13 3HG1 ILE 13 3.843 0.010 -5.487 96 HG21 ILE 13 1HG2 ILE 13 2.019 1.643 -8.402 97 HG22 ILE 13 2HG2 ILE 13 1.937 2.808 -7.079 98 HG23 ILE 13 3HG2 ILE 13 0.515 1.863 -7.506 99 HD11 ILE 13 1HD1 ILE 13 5.458 0.538 -7.216 100 HD12 ILE 13 2HD1 ILE 13 4.189 1.221 -8.231 101 HD13 ILE 13 3HD1 ILE 13 4.183 -0.502 -7.845 102 H ALA 14 H ALA 14 0.035 -1.331 -5.017 103 HA ALA 14 HA ALA 14 -2.446 -0.639 -6.232 104 HB1 ALA 14 1HB ALA 14 -1.745 -3.080 -4.570 105 HB2 ALA 14 2HB ALA 14 -1.528 -2.918 -6.314 106 HB3 ALA 14 3HB ALA 14 -3.154 -2.914 -5.630 107 H ILE 15 H ILE 15 -1.395 -0.888 -2.877 108 HA ILE 15 HA ILE 15 -3.866 -0.600 -1.549 109 HB ILE 15 HB ILE 15 -1.002 0.057 -0.743 110 HG12 ILE 15 2HG1 ILE 15 -2.940 -2.102 0.204 111 HG13 ILE 15 3HG1 ILE 15 -1.629 -2.338 -0.940 112 HG21 ILE 15 1HG2 ILE 15 -1.722 0.439 1.592 113 HG22 ILE 15 2HG2 ILE 15 -3.408 0.370 1.080 114 HG23 ILE 15 3HG2 ILE 15 -2.365 1.670 0.502 115 HD11 ILE 15 1HD1 ILE 15 -1.334 -1.640 1.980 116 HD12 ILE 15 2HD1 ILE 15 -0.006 -1.839 0.831 117 HD13 ILE 15 3HD1 ILE 15 -1.044 -3.207 1.225 118 H PHE 16 H PHE 16 -1.572 1.784 -2.853 119 HA PHE 16 HA PHE 16 -3.056 4.083 -1.956 120 HB2 PHE 16 2HB PHE 16 -0.801 3.853 -3.986 121 HB3 PHE 16 3HB PHE 16 -1.473 5.381 -3.407 122 HD1 PHE 16 HD1 PHE 16 -1.722 5.310 -0.635 123 HD2 PHE 16 HD2 PHE 16 1.249 3.342 -3.001 124 HE1 PHE 16 HE1 PHE 16 -0.200 5.275 1.297 125 HE2 PHE 16 HE2 PHE 16 2.742 3.304 -1.075 126 HZ PHE 16 HZ PHE 16 2.039 4.278 1.071 127 H GLN 17 H GLN 17 -3.049 2.135 -4.887 128 HA GLN 17 HA GLN 17 -4.558 3.849 -6.569 129 HB2 GLN 17 2HB GLN 17 -4.370 0.811 -6.493 130 HB3 GLN 17 3HB GLN 17 -5.206 1.699 -7.766 131 HG2 GLN 17 2HG GLN 17 -3.159 2.700 -8.527 132 HG3 GLN 17 3HG GLN 17 -2.276 2.103 -7.122 133 HE21 GLN 17 1HE2 GLN 17 -0.768 1.001 -8.353 134 HE22 GLN 17 2HE2 GLN 17 -1.133 -0.429 -9.237 135 H LEU 18 H LEU 18 -5.502 1.435 -4.144 136 HA LEU 18 HA LEU 18 -8.327 1.871 -4.409 137 HB2 LEU 18 2HB LEU 18 -6.707 0.589 -2.176 138 HB3 LEU 18 3HB LEU 18 -8.464 0.628 -2.211 139 HG LEU 18 HG LEU 18 -6.662 -0.817 -4.199 140 HD11 LEU 18 1HD1 LEU 18 -6.778 -1.956 -2.042 141 HD12 LEU 18 2HD1 LEU 18 -7.612 -2.878 -3.289 142 HD13 LEU 18 3HD1 LEU 18 -8.543 -1.951 -2.108 143 HD21 LEU 18 1HD2 LEU 18 -8.632 0.039 -5.362 144 HD22 LEU 18 2HD2 LEU 18 -9.698 -0.677 -4.150 145 HD23 LEU 18 3HD2 LEU 18 -8.728 -1.713 -5.204 146 H TRP 19 H TRP 19 -5.767 3.242 -2.337 147 HA TRP 19 HA TRP 19 -7.522 4.651 -0.586 148 HB2 TRP 19 2HB TRP 19 -4.549 4.795 -1.097 149 HB3 TRP 19 3HB TRP 19 -5.323 5.981 -0.054 150 HD1 TRP 19 HD1 TRP 19 -6.945 2.664 0.432 151 HE1 TRP 19 HE1 TRP 19 -6.088 1.581 2.589 152 HE3 TRP 19 HE3 TRP 19 -2.946 5.713 1.352 153 HZ2 TRP 19 HZ2 TRP 19 -4.005 1.943 4.442 154 HZ3 TRP 19 HZ3 TRP 19 -1.567 5.276 3.346 155 HH2 TRP 19 HH2 TRP 19 -2.093 3.431 4.855 156 H LYS 20 H LYS 20 -6.325 5.430 -3.760 157 HA LYS 20 HA LYS 20 -7.352 8.193 -3.568 158 HB2 LYS 20 2HB LYS 20 -6.238 8.631 -5.691 159 HB3 LYS 20 3HB LYS 20 -5.100 7.884 -4.575 160 HG2 LYS 20 2HG LYS 20 -5.558 5.678 -5.740 161 HG3 LYS 20 3HG LYS 20 -6.468 6.585 -6.951 162 HD2 LYS 20 2HD LYS 20 -3.516 6.961 -6.288 163 HD3 LYS 20 3HD LYS 20 -4.152 6.108 -7.693 164 HE2 LYS 20 2HE LYS 20 -5.232 8.272 -8.418 165 HE3 LYS 20 3HE LYS 20 -4.379 9.077 -7.097 166 HZ1 LYS 20 1HZ LYS 20 -2.284 8.422 -8.075 167 HZ2 LYS 20 2HZ LYS 20 -3.197 9.247 -9.228 168 HZ3 LYS 20 3HZ LYS 20 -3.066 7.562 -9.296 169 H ASN 21 H ASN 21 -8.199 5.064 -4.740 170 HA ASN 21 HA ASN 21 -10.828 5.919 -5.552 171 HB2 ASN 21 2HB ASN 21 -9.575 6.342 -7.656 172 HB3 ASN 21 3HB ASN 21 -8.955 4.699 -7.643 173 HD21 ASN 21 1HD2 ASN 21 -10.352 3.001 -8.224 174 HD22 ASN 21 2HD2 ASN 21 -11.885 3.272 -8.971 175 HA PRO 22 HA PRO 22 -10.597 1.826 -3.352 176 HB2 PRO 22 2HB PRO 22 -13.072 1.936 -2.139 177 HB3 PRO 22 3HB PRO 22 -11.658 2.821 -1.531 178 HG2 PRO 22 2HG PRO 22 -13.905 3.835 -3.252 179 HG3 PRO 22 3HG PRO 22 -13.171 4.575 -1.808 180 HD2 PRO 22 2HD PRO 22 -12.478 5.380 -4.296 181 HD3 PRO 22 3HD PRO 22 -11.297 5.342 -2.974 182 H THR 23 H THR 23 -12.619 2.811 -5.885 183 HA THR 23 HA THR 23 -14.128 0.322 -6.138 184 HB THR 23 HB THR 23 -15.120 1.520 -8.155 185 HG1 THR 23 HG1 THR 23 -14.199 3.309 -8.807 186 HG21 THR 23 1HG2 THR 23 -16.413 3.176 -6.846 187 HG22 THR 23 2HG2 THR 23 -15.254 3.043 -5.519 188 HG23 THR 23 3HG2 THR 23 -16.257 1.658 -5.963 189 H ASP 24 H ASP 24 -11.000 1.127 -6.867 190 HA ASP 24 HA ASP 24 -10.738 0.413 -9.611 191 HB2 ASP 24 2HB ASP 24 -9.038 1.771 -8.314 192 HB3 ASP 24 3HB ASP 24 -8.546 0.294 -7.488 193 HA PRO 25 HA PRO 25 -11.423 -3.972 -8.770 194 HB2 PRO 25 2HB PRO 25 -11.564 -4.886 -11.332 195 HB3 PRO 25 3HB PRO 25 -12.832 -3.852 -10.638 196 HG2 PRO 25 2HG PRO 25 -10.549 -3.070 -12.429 197 HG3 PRO 25 3HG PRO 25 -12.266 -2.610 -12.533 198 HD2 PRO 25 2HD PRO 25 -10.377 -0.978 -11.409 199 HD3 PRO 25 3HD PRO 25 -12.075 -0.983 -10.885 200 H GLU 26 H GLU 26 -8.636 -2.812 -10.612 201 HA GLU 26 HA GLU 26 -7.469 -5.467 -10.954 202 HB2 GLU 26 2HB GLU 26 -6.362 -2.729 -11.689 203 HB3 GLU 26 3HB GLU 26 -5.631 -4.273 -12.126 204 HG2 GLU 26 2HG GLU 26 -7.690 -4.833 -13.424 205 HG3 GLU 26 3HG GLU 26 -8.322 -3.227 -13.053 206 H ALA 27 H ALA 27 -6.961 -2.634 -8.931 207 HA ALA 27 HA ALA 27 -4.413 -3.267 -7.873 208 HB1 ALA 27 1HB ALA 27 -4.957 -1.580 -6.150 209 HB2 ALA 27 2HB ALA 27 -6.653 -1.606 -6.646 210 HB3 ALA 27 3HB ALA 27 -5.420 -1.010 -7.756 211 H GLN 28 H GLN 28 -7.688 -3.685 -6.535 212 HA GLN 28 HA GLN 28 -6.937 -5.205 -4.265 213 HB2 GLN 28 2HB GLN 28 -9.353 -5.699 -4.048 214 HB3 GLN 28 3HB GLN 28 -9.051 -3.991 -4.342 215 HG2 GLN 28 2HG GLN 28 -9.632 -4.359 -6.754 216 HG3 GLN 28 3HG GLN 28 -10.066 -6.021 -6.356 217 HE21 GLN 28 1HE2 GLN 28 -10.934 -2.651 -5.951 218 HE22 GLN 28 2HE2 GLN 28 -12.554 -2.934 -5.427 219 H GLU 29 H GLU 29 -7.558 -6.076 -7.602 220 HA GLU 29 HA GLU 29 -8.195 -8.797 -7.413 221 HB2 GLU 29 2HB GLU 29 -8.246 -7.244 -9.483 222 HB3 GLU 29 3HB GLU 29 -6.535 -7.573 -9.671 223 HG2 GLU 29 2HG GLU 29 -8.665 -9.706 -9.665 224 HG3 GLU 29 3HG GLU 29 -8.136 -8.906 -11.135 225 H LEU 30 H LEU 30 -5.019 -7.315 -8.108 226 HA LEU 30 HA LEU 30 -3.569 -9.719 -7.910 227 HB2 LEU 30 2HB LEU 30 -1.538 -8.325 -8.008 228 HB3 LEU 30 3HB LEU 30 -2.727 -7.840 -9.195 229 HG LEU 30 HG LEU 30 -3.325 -5.984 -7.328 230 HD11 LEU 30 1HD1 LEU 30 -1.730 -6.718 -5.637 231 HD12 LEU 30 2HD1 LEU 30 -1.337 -5.100 -6.207 232 HD13 LEU 30 3HD1 LEU 30 -0.388 -6.480 -6.764 233 HD21 LEU 30 1HD2 LEU 30 -1.893 -4.373 -8.502 234 HD22 LEU 30 2HD2 LEU 30 -2.692 -5.461 -9.634 235 HD23 LEU 30 3HD2 LEU 30 -0.986 -5.697 -9.245 236 H LEU 31 H LEU 31 -4.443 -7.290 -5.498 237 HA LEU 31 HA LEU 31 -2.782 -8.075 -3.356 238 HB2 LEU 31 2HB LEU 31 -5.473 -6.667 -3.389 239 HB3 LEU 31 3HB LEU 31 -4.606 -6.969 -1.894 240 HG LEU 31 HG LEU 31 -3.579 -5.256 -4.192 241 HD11 LEU 31 1HD1 LEU 31 -5.458 -4.177 -3.039 242 HD12 LEU 31 2HD1 LEU 31 -3.944 -3.331 -2.724 243 HD13 LEU 31 3HD1 LEU 31 -4.641 -4.382 -1.486 244 HD21 LEU 31 1HD2 LEU 31 -1.742 -6.325 -3.001 245 HD22 LEU 31 2HD2 LEU 31 -2.377 -5.759 -1.453 246 HD23 LEU 31 3HD2 LEU 31 -1.783 -4.599 -2.647 247 H ASN 32 H ASN 32 -5.865 -9.443 -4.471 248 HA ASN 32 HA ASN 32 -6.424 -11.036 -2.172 249 HB2 ASN 32 2HB ASN 32 -7.280 -11.253 -5.072 250 HB3 ASN 32 3HB ASN 32 -7.693 -12.530 -3.937 251 HD21 ASN 32 1HD2 ASN 32 -8.482 -9.369 -5.035 252 HD22 ASN 32 2HD2 ASN 32 -9.799 -9.105 -3.951 253 H LYS 33 H LYS 33 -4.128 -11.407 -4.697 254 HA LYS 33 HA LYS 33 -3.844 -14.312 -4.408 255 HB2 LYS 33 2HB LYS 33 -2.720 -12.275 -6.365 256 HB3 LYS 33 3HB LYS 33 -2.335 -13.991 -6.430 257 HG2 LYS 33 2HG LYS 33 -4.351 -14.561 -7.356 258 HG3 LYS 33 3HG LYS 33 -5.253 -13.400 -6.388 259 HD2 LYS 33 2HD LYS 33 -5.361 -12.902 -8.815 260 HD3 LYS 33 3HD LYS 33 -4.646 -11.590 -7.881 261 HE2 LYS 33 2HE LYS 33 -2.410 -12.259 -8.612 262 HE3 LYS 33 3HE LYS 33 -3.083 -13.641 -9.480 263 HZ1 LYS 33 1HZ LYS 33 -4.189 -12.185 -10.976 264 HZ2 LYS 33 2HZ LYS 33 -2.580 -11.684 -10.891 265 HZ3 LYS 33 3HZ LYS 33 -3.785 -10.820 -10.077 266 H ILE 34 H ILE 34 -1.986 -11.333 -3.813 267 HA ILE 34 HA ILE 34 0.364 -12.916 -2.912 268 HB ILE 34 HB ILE 34 1.634 -10.737 -3.069 269 HG12 ILE 34 2HG1 ILE 34 -0.942 -9.715 -4.356 270 HG13 ILE 34 3HG1 ILE 34 -0.267 -9.160 -2.837 271 HG21 ILE 34 1HG2 ILE 34 1.796 -10.752 -5.529 272 HG22 ILE 34 2HG2 ILE 34 0.292 -11.669 -5.632 273 HG23 ILE 34 3HG2 ILE 34 1.719 -12.392 -4.883 274 HD11 ILE 34 1HD1 ILE 34 0.976 -8.784 -5.561 275 HD12 ILE 34 2HD1 ILE 34 1.650 -8.227 -4.027 276 HD13 ILE 34 3HD1 ILE 34 0.124 -7.568 -4.610 277 H LEU 35 H LEU 35 -1.990 -10.569 -1.809 278 HA LEU 35 HA LEU 35 -0.986 -10.759 0.978 279 HB2 LEU 35 2HB LEU 35 -2.765 -8.752 -0.456 280 HB3 LEU 35 3HB LEU 35 -2.866 -8.914 1.282 281 HG LEU 35 HG LEU 35 -1.473 -6.989 0.563 282 HD11 LEU 35 1HD1 LEU 35 -1.064 -7.921 2.752 283 HD12 LEU 35 2HD1 LEU 35 0.452 -7.392 2.039 284 HD13 LEU 35 3HD1 LEU 35 0.054 -9.112 2.084 285 HD21 LEU 35 1HD2 LEU 35 0.757 -7.326 -0.393 286 HD22 LEU 35 2HD2 LEU 35 -0.509 -7.885 -1.483 287 HD23 LEU 35 3HD2 LEU 35 0.435 -9.055 -0.558 288 H SER 36 H SER 36 -2.993 -10.691 2.547 289 HA SER 36 HA SER 36 -4.740 -12.935 1.940 290 HB2 SER 36 2HB SER 36 -4.523 -11.198 4.443 291 HB3 SER 36 3HB SER 36 -5.444 -12.699 4.310 292 HG SER 36 HG SER 36 -2.776 -12.848 3.559 293 HA PRO 37 HA PRO 37 -8.442 -10.647 0.568 294 HB2 PRO 37 2HB PRO 37 -9.845 -12.424 2.585 295 HB3 PRO 37 3HB PRO 37 -10.280 -12.067 0.897 296 HG2 PRO 37 2HG PRO 37 -9.132 -14.379 1.456 297 HG3 PRO 37 3HG PRO 37 -8.615 -13.466 0.018 298 HD2 PRO 37 2HD PRO 37 -7.222 -13.750 2.670 299 HD3 PRO 37 3HD PRO 37 -6.535 -13.700 1.030 300 H ASP 38 H ASP 38 -7.766 -10.978 4.009 301 HA ASP 38 HA ASP 38 -9.480 -9.002 5.067 302 HB2 ASP 38 2HB ASP 38 -8.349 -10.707 6.453 303 HB3 ASP 38 3HB ASP 38 -6.782 -10.008 6.072 304 H VAL 39 H VAL 39 -6.199 -8.823 3.728 305 HA VAL 39 HA VAL 39 -5.459 -6.281 4.671 306 HB VAL 39 HB VAL 39 -4.441 -7.748 2.203 307 HG11 VAL 39 1HG1 VAL 39 -2.420 -6.298 2.394 308 HG12 VAL 39 2HG1 VAL 39 -3.219 -5.373 3.665 309 HG13 VAL 39 3HG1 VAL 39 -3.876 -5.371 2.028 310 HG21 VAL 39 1HG2 VAL 39 -4.124 -9.029 4.296 311 HG22 VAL 39 2HG2 VAL 39 -3.286 -7.653 5.020 312 HG23 VAL 39 3HG2 VAL 39 -2.581 -8.490 3.637 313 H LEU 40 H LEU 40 -6.519 -7.125 1.309 314 HA LEU 40 HA LEU 40 -6.589 -4.449 0.398 315 HB2 LEU 40 2HB LEU 40 -7.964 -5.262 -1.488 316 HB3 LEU 40 3HB LEU 40 -6.528 -6.224 -1.219 317 HG LEU 40 HG LEU 40 -8.941 -7.303 0.161 318 HD11 LEU 40 1HD1 LEU 40 -8.907 -7.342 -2.861 319 HD12 LEU 40 2HD1 LEU 40 -10.058 -6.474 -1.841 320 HD13 LEU 40 3HD1 LEU 40 -10.008 -8.236 -1.806 321 HD21 LEU 40 1HD2 LEU 40 -8.106 -9.429 -0.737 322 HD22 LEU 40 2HD2 LEU 40 -6.840 -8.532 0.099 323 HD23 LEU 40 3HD2 LEU 40 -6.879 -8.566 -1.668 324 H ASP 41 H ASP 41 -8.853 -6.212 2.322 325 HA ASP 41 HA ASP 41 -11.155 -4.597 1.732 326 HB2 ASP 41 2HB ASP 41 -11.375 -6.972 2.435 327 HB3 ASP 41 3HB ASP 41 -10.727 -6.559 4.022 328 H GLN 42 H GLN 42 -8.817 -4.774 4.471 329 HA GLN 42 HA GLN 42 -9.956 -2.533 5.861 330 HB2 GLN 42 2HB GLN 42 -7.958 -2.550 7.274 331 HB3 GLN 42 3HB GLN 42 -8.562 -4.188 7.063 332 HG2 GLN 42 2HG GLN 42 -6.794 -4.699 5.483 333 HG3 GLN 42 3HG GLN 42 -6.236 -3.027 5.498 334 HE21 GLN 42 1HE2 GLN 42 -4.791 -5.494 6.120 335 HE22 GLN 42 2HE2 GLN 42 -4.178 -5.295 7.718 336 H VAL 43 H VAL 43 -7.660 -2.899 3.261 337 HA VAL 43 HA VAL 43 -6.549 -0.287 3.232 338 HB VAL 43 HB VAL 43 -6.826 -2.425 1.081 339 HG11 VAL 43 1HG1 VAL 43 -5.423 0.249 0.754 340 HG12 VAL 43 2HG1 VAL 43 -6.863 -0.286 -0.115 341 HG13 VAL 43 3HG1 VAL 43 -5.324 -1.105 -0.377 342 HG21 VAL 43 1HG2 VAL 43 -4.386 -2.656 1.346 343 HG22 VAL 43 2HG2 VAL 43 -5.201 -2.873 2.896 344 HG23 VAL 43 3HG2 VAL 43 -4.379 -1.353 2.539 345 H ARG 44 H ARG 44 -9.281 -1.708 1.312 346 HA ARG 44 HA ARG 44 -10.029 0.725 0.057 347 HB2 ARG 44 2HB ARG 44 -12.107 -0.356 -0.602 348 HB3 ARG 44 3HB ARG 44 -10.786 -1.506 -0.781 349 HG2 ARG 44 2HG ARG 44 -11.441 -2.718 1.172 350 HG3 ARG 44 3HG ARG 44 -12.563 -1.455 1.674 351 HD2 ARG 44 2HD ARG 44 -13.757 -3.384 0.793 352 HD3 ARG 44 3HD ARG 44 -14.008 -1.971 -0.232 353 HE ARG 44 HE ARG 44 -12.659 -2.945 -1.907 354 HH11 ARG 44 1HH1 ARG 44 -13.113 -5.126 0.820 355 HH12 ARG 44 2HH1 ARG 44 -12.644 -6.533 -0.081 356 HH21 ARG 44 1HH2 ARG 44 -12.119 -4.808 -3.091 357 HH22 ARG 44 2HH2 ARG 44 -12.080 -6.349 -2.296 358 H GLU 45 H GLU 45 -10.619 -0.492 3.247 359 HA GLU 45 HA GLU 45 -12.876 1.141 3.907 360 HB2 GLU 45 2HB GLU 45 -12.184 -1.038 5.047 361 HB3 GLU 45 3HB GLU 45 -10.884 -0.141 5.824 362 HG2 GLU 45 2HG GLU 45 -12.775 -0.387 7.337 363 HG3 GLU 45 3HG GLU 45 -12.551 1.313 6.916 364 H HIS 46 H HIS 46 -9.361 1.348 4.499 365 HA HIS 46 HA HIS 46 -9.415 3.880 5.848 366 HB2 HIS 46 2HB HIS 46 -7.078 2.456 4.505 367 HB3 HIS 46 3HB HIS 46 -6.939 3.851 5.577 368 HD1 HIS 46 HD1 HIS 46 -5.936 0.711 5.920 369 HD2 HIS 46 HD2 HIS 46 -8.903 2.750 8.012 370 HE1 HIS 46 HE1 HIS 46 -6.206 -0.523 8.088 371 HE2 HIS 46 HE2 HIS 46 -7.951 0.768 9.358 372 H ALA 47 H ALA 47 -9.354 2.872 2.557 373 HA ALA 47 HA ALA 47 -8.583 5.192 1.188 374 HB1 ALA 47 1HB ALA 47 -9.869 4.242 -0.687 375 HB2 ALA 47 2HB ALA 47 -10.636 3.096 0.416 376 HB3 ALA 47 3HB ALA 47 -8.901 3.001 0.114 377 H ARG 48 H ARG 48 -11.707 4.092 2.429 378 HA ARG 48 HA ARG 48 -13.306 6.229 1.478 379 HB2 ARG 48 2HB ARG 48 -13.775 4.333 3.822 380 HB3 ARG 48 3HB ARG 48 -15.003 5.389 3.122 381 HG2 ARG 48 2HG ARG 48 -14.892 4.182 1.005 382 HG3 ARG 48 3HG ARG 48 -13.575 3.178 1.612 383 HD2 ARG 48 2HD ARG 48 -15.142 2.326 3.391 384 HD3 ARG 48 3HD ARG 48 -16.448 3.211 2.587 385 HE ARG 48 HE ARG 48 -15.775 1.818 0.549 386 HH11 ARG 48 1HH1 ARG 48 -15.509 0.606 3.839 387 HH12 ARG 48 2HH1 ARG 48 -15.696 -1.053 3.367 388 HH21 ARG 48 1HH2 ARG 48 -15.996 -0.351 -0.065 389 HH22 ARG 48 2HH2 ARG 48 -15.973 -1.597 1.143 390 H GLU 49 H GLU 49 -11.439 5.734 4.430 391 HA GLU 49 HA GLU 49 -12.381 7.907 5.967 392 HB2 GLU 49 2HB GLU 49 -9.619 6.614 5.945 393 HB3 GLU 49 3HB GLU 49 -10.222 7.676 7.214 394 HG2 GLU 49 2HG GLU 49 -11.424 4.994 6.465 395 HG3 GLU 49 3HG GLU 49 -10.326 5.268 7.815 396 H LEU 50 H LEU 50 -9.618 7.658 3.714 397 HA LEU 50 HA LEU 50 -8.664 10.319 3.943 398 HB2 LEU 50 2HB LEU 50 -8.387 8.372 1.615 399 HB3 LEU 50 3HB LEU 50 -7.426 9.831 1.828 400 HG LEU 50 HG LEU 50 -7.363 7.351 3.592 401 HD11 LEU 50 1HD1 LEU 50 -5.075 7.066 2.771 402 HD12 LEU 50 2HD1 LEU 50 -5.267 8.465 1.710 403 HD13 LEU 50 3HD1 LEU 50 -6.244 7.016 1.454 404 HD21 LEU 50 1HD2 LEU 50 -7.029 9.328 4.975 405 HD22 LEU 50 2HD2 LEU 50 -5.775 9.918 3.881 406 HD23 LEU 50 3HD2 LEU 50 -5.520 8.435 4.806 407 H GLN 51 H GLN 51 -10.715 8.736 1.545 408 HA GLN 51 HA GLN 51 -11.067 10.874 -0.251 409 HB2 GLN 51 2HB GLN 51 -11.391 8.418 -0.701 410 HB3 GLN 51 3HB GLN 51 -12.874 8.469 0.242 411 HG2 GLN 51 2HG GLN 51 -13.852 10.037 -1.396 412 HG3 GLN 51 3HG GLN 51 -12.356 9.977 -2.336 413 HE21 GLN 51 1HE2 GLN 51 -13.280 9.094 -4.170 414 HE22 GLN 51 2HE2 GLN 51 -13.914 7.490 -4.239 415 H LYS 52 H LYS 52 -12.876 9.842 2.586 416 HA LYS 52 HA LYS 52 -15.250 11.340 2.369 417 HB2 LYS 52 2HB LYS 52 -14.861 9.462 3.953 418 HB3 LYS 52 3HB LYS 52 -13.724 10.452 4.856 419 HG2 LYS 52 2HG LYS 52 -15.624 11.999 5.417 420 HG3 LYS 52 3HG LYS 52 -16.719 10.868 4.610 421 HD2 LYS 52 2HD LYS 52 -15.929 9.073 6.207 422 HD3 LYS 52 3HD LYS 52 -14.991 10.304 7.056 423 HE2 LYS 52 2HE LYS 52 -17.048 9.958 8.260 424 HE3 LYS 52 3HE LYS 52 -17.141 11.539 7.482 425 HZ1 LYS 52 1HZ LYS 52 -18.378 9.037 6.470 426 HZ2 LYS 52 2HZ LYS 52 -18.474 10.548 5.725 427 HZ3 LYS 52 3HZ LYS 52 -19.195 10.304 7.232 428 H GLN 53 H GLN 53 -12.123 12.111 3.829 429 HA GLN 53 HA GLN 53 -12.949 14.719 4.826 430 HB2 GLN 53 2HB GLN 53 -10.220 13.358 4.778 431 HB3 GLN 53 3HB GLN 53 -10.599 14.849 5.645 432 HG2 GLN 53 2HG GLN 53 -12.121 13.667 7.124 433 HG3 GLN 53 3HG GLN 53 -11.927 12.174 6.201 434 HE21 GLN 53 1HE2 GLN 53 -9.995 11.002 6.400 435 HE22 GLN 53 2HE2 GLN 53 -8.890 11.269 7.694 436 H GLY 54 H GLY 54 -11.786 13.490 1.877 437 HA2 GLY 54 2HA GLY 54 -11.309 14.596 -0.100 438 HA3 GLY 54 3HA GLY 54 -11.260 16.128 0.759 439 H ILE 55 H ILE 55 -9.380 13.602 2.146 440 HA ILE 55 HA ILE 55 -6.849 14.804 1.556 441 HB ILE 55 HB ILE 55 -7.376 11.999 2.672 442 HG12 ILE 55 2HG1 ILE 55 -6.814 14.587 4.193 443 HG13 ILE 55 3HG1 ILE 55 -8.376 13.785 4.100 444 HG21 ILE 55 1HG2 ILE 55 -5.088 12.233 1.772 445 HG22 ILE 55 2HG2 ILE 55 -5.055 12.101 3.530 446 HG23 ILE 55 3HG2 ILE 55 -4.832 13.674 2.760 447 HD11 ILE 55 1HD1 ILE 55 -7.312 13.346 6.220 448 HD12 ILE 55 2HD1 ILE 55 -5.890 12.683 5.416 449 HD13 ILE 55 3HD1 ILE 55 -7.444 11.850 5.297 450 H HIS 56 H HIS 56 -6.723 14.910 -0.670 451 HA HIS 56 HA HIS 56 -6.566 12.453 -2.276 452 HB2 HIS 56 2HB HIS 56 -6.330 15.400 -3.030 453 HB3 HIS 56 3HB HIS 56 -6.186 14.067 -4.177 454 HD1 HIS 56 HD1 HIS 56 -8.691 15.955 -2.137 455 HD2 HIS 56 HD2 HIS 56 -8.621 12.823 -4.865 456 HE1 HIS 56 HE1 HIS 56 -11.085 15.555 -2.767 457 HE2 HIS 56 HE2 HIS 56 -11.010 13.688 -4.447 458 H PHE 57 H PHE 57 -4.635 11.904 -3.397 459 HA PHE 57 HA PHE 57 -2.170 13.346 -2.859 460 HB2 PHE 57 2HB PHE 57 -0.956 11.330 -2.021 461 HB3 PHE 57 3HB PHE 57 -2.239 11.833 -0.925 462 HD1 PHE 57 HD1 PHE 57 -1.288 9.302 -3.472 463 HD2 PHE 57 HD2 PHE 57 -4.097 10.358 -0.412 464 HE1 PHE 57 HE1 PHE 57 -2.239 7.049 -3.573 465 HE2 PHE 57 HE2 PHE 57 -5.032 8.085 -0.528 466 HZ PHE 57 HZ PHE 57 -4.101 6.443 -2.110 467 H GLU 58 H GLU 58 -0.342 12.421 -4.119 468 HA GLU 58 HA GLU 58 -1.008 10.402 -6.136 469 HB2 GLU 58 2HB GLU 58 -1.143 12.647 -7.277 470 HB3 GLU 58 3HB GLU 58 0.522 12.962 -6.805 471 HG2 GLU 58 2HG GLU 58 0.367 12.251 -9.160 472 HG3 GLU 58 3HG GLU 58 1.307 11.107 -8.202 473 H VAL 59 H VAL 59 0.621 8.937 -6.415 474 HA VAL 59 HA VAL 59 2.775 8.828 -4.542 475 HB VAL 59 HB VAL 59 1.779 6.746 -5.334 476 HG11 VAL 59 1HG1 VAL 59 1.116 7.398 -7.598 477 HG12 VAL 59 2HG1 VAL 59 2.041 5.895 -7.631 478 HG13 VAL 59 3HG1 VAL 59 2.806 7.412 -8.109 479 HG21 VAL 59 1HG2 VAL 59 4.133 6.642 -4.626 480 HG22 VAL 59 2HG2 VAL 59 4.661 6.935 -6.283 481 HG23 VAL 59 3HG2 VAL 59 3.805 5.444 -5.883 482 H LYS 60 H LYS 60 4.943 9.247 -4.832 483 HA LYS 60 HA LYS 60 5.736 10.825 -7.220 484 HB2 LYS 60 2HB LYS 60 6.514 11.143 -4.286 485 HB3 LYS 60 3HB LYS 60 7.264 12.050 -5.600 486 HG2 LYS 60 2HG LYS 60 4.309 12.119 -4.916 487 HG3 LYS 60 3HG LYS 60 5.492 13.321 -4.396 488 HD2 LYS 60 2HD LYS 60 4.841 12.682 -7.308 489 HD3 LYS 60 3HD LYS 60 4.160 14.030 -6.394 490 HE2 LYS 60 2HE LYS 60 6.443 14.942 -6.059 491 HE3 LYS 60 3HE LYS 60 7.103 13.612 -7.013 492 HZ1 LYS 60 1HZ LYS 60 5.988 14.412 -8.932 493 HZ2 LYS 60 2HZ LYS 60 6.805 15.719 -8.242 494 HZ3 LYS 60 3HZ LYS 60 5.136 15.569 -8.051 495 H ARG 61 H ARG 61 6.857 8.568 -4.731 496 HA ARG 61 HA ARG 61 8.844 7.420 -6.503 497 HB2 ARG 61 2HB ARG 61 10.153 9.279 -5.762 498 HB3 ARG 61 3HB ARG 61 9.600 9.131 -4.101 499 HG2 ARG 61 2HG ARG 61 11.105 7.450 -3.592 500 HG3 ARG 61 3HG ARG 61 11.152 6.839 -5.234 501 HD2 ARG 61 2HD ARG 61 12.436 9.446 -4.357 502 HD3 ARG 61 3HD ARG 61 13.295 7.907 -4.481 503 HE ARG 61 HE ARG 61 12.978 7.926 -6.841 504 HH11 ARG 61 1HH1 ARG 61 12.047 10.989 -5.364 505 HH12 ARG 61 2HH1 ARG 61 12.154 11.869 -6.853 506 HH21 ARG 61 1HH2 ARG 61 13.094 9.095 -8.781 507 HH22 ARG 61 2HH2 ARG 61 12.747 10.791 -8.782 508 H VAL 62 H VAL 62 8.783 5.307 -6.130 509 HA VAL 62 HA VAL 62 7.988 4.231 -3.478 510 HB VAL 62 HB VAL 62 7.972 2.795 -6.191 511 HG11 VAL 62 1HG1 VAL 62 6.669 1.024 -5.050 512 HG12 VAL 62 2HG1 VAL 62 6.823 1.895 -3.522 513 HG13 VAL 62 3HG1 VAL 62 8.258 1.234 -4.306 514 HG21 VAL 62 1HG2 VAL 62 6.271 4.561 -6.184 515 HG22 VAL 62 2HG2 VAL 62 5.610 3.944 -4.669 516 HG23 VAL 62 3HG2 VAL 62 5.508 2.969 -6.137 517 H GLU 63 H GLU 63 9.843 3.906 -2.362 518 HA GLU 63 HA GLU 63 12.190 2.661 -3.653 519 HB2 GLU 63 2HB GLU 63 11.838 3.830 -0.854 520 HB3 GLU 63 3HB GLU 63 13.337 3.148 -1.479 521 HG2 GLU 63 2HG GLU 63 13.501 4.922 -3.143 522 HG3 GLU 63 3HG GLU 63 11.931 5.564 -2.658 523 H VAL 64 H VAL 64 12.402 0.517 -3.502 524 HA VAL 64 HA VAL 64 10.964 -1.018 -1.438 525 HB VAL 64 HB VAL 64 10.586 -1.771 -3.745 526 HG11 VAL 64 1HG1 VAL 64 13.574 -2.260 -3.990 527 HG12 VAL 64 2HG1 VAL 64 12.652 -1.007 -4.824 528 HG13 VAL 64 3HG1 VAL 64 12.348 -2.709 -5.180 529 HG21 VAL 64 1HG2 VAL 64 11.141 -4.168 -3.503 530 HG22 VAL 64 2HG2 VAL 64 10.543 -3.479 -1.992 531 HG23 VAL 64 3HG2 VAL 64 12.270 -3.775 -2.201 532 H THR 65 H THR 65 12.069 -1.823 0.275 533 HA THR 65 HA THR 65 14.964 -2.359 0.072 534 HB THR 65 HB THR 65 13.629 -0.845 2.360 535 HG1 THR 65 HG1 THR 65 15.177 -0.095 0.141 536 HG21 THR 65 1HG2 THR 65 16.547 -1.630 2.024 537 HG22 THR 65 2HG2 THR 65 15.431 -2.319 3.208 538 HG23 THR 65 3HG2 THR 65 15.905 -0.618 3.308 539 H THR 66 H THR 66 15.237 -4.418 0.539 540 HA THR 66 HA THR 66 13.239 -5.964 2.008 541 HB THR 66 HB THR 66 14.735 -7.915 1.243 542 HG1 THR 66 HG1 THR 66 16.665 -7.103 0.689 543 HG21 THR 66 1HG2 THR 66 13.926 -7.841 -1.083 544 HG22 THR 66 2HG2 THR 66 13.581 -6.120 -0.922 545 HG23 THR 66 3HG2 THR 66 12.667 -7.291 0.030 546 H ASP 67 H ASP 67 13.443 -6.201 4.116 547 HA ASP 67 HA ASP 67 16.072 -5.955 5.468 548 HB2 ASP 67 2HB ASP 67 14.483 -4.066 5.891 549 HB3 ASP 67 3HB ASP 67 13.288 -5.212 6.482 550 H GLY 68 H GLY 68 16.557 -8.133 5.471 551 HA2 GLY 68 2HA GLY 68 16.648 -10.279 6.236 552 HA3 GLY 68 3HA GLY 68 15.431 -9.857 7.430 553 H ASN 69 H ASN 69 13.392 -10.595 7.141 554 HA ASN 69 HA ASN 69 12.655 -11.987 4.621 555 HB2 ASN 69 2HB ASN 69 11.703 -12.574 7.465 556 HB3 ASN 69 3HB ASN 69 11.205 -13.449 6.019 557 HD21 ASN 69 1HD2 ASN 69 12.456 -14.503 8.408 558 HD22 ASN 69 2HD2 ASN 69 13.944 -15.231 7.918 559 H THR 70 H THR 70 12.248 -9.099 5.725 560 HA THR 70 HA THR 70 9.323 -8.918 5.244 561 HB THR 70 HB THR 70 10.897 -7.496 7.443 562 HG1 THR 70 HG1 THR 70 9.341 -9.767 7.351 563 HG21 THR 70 1HG2 THR 70 9.211 -5.961 6.523 564 HG22 THR 70 2HG2 THR 70 8.727 -6.515 8.123 565 HG23 THR 70 3HG2 THR 70 7.966 -7.214 6.699 566 H VAL 71 H VAL 71 8.891 -7.543 3.611 567 HA VAL 71 HA VAL 71 11.013 -5.813 2.550 568 HB VAL 71 HB VAL 71 8.268 -6.418 1.362 569 HG11 VAL 71 1HG1 VAL 71 9.192 -5.486 -0.739 570 HG12 VAL 71 2HG1 VAL 71 10.694 -5.086 0.098 571 HG13 VAL 71 3HG1 VAL 71 9.191 -4.281 0.554 572 HG21 VAL 71 1HG2 VAL 71 9.460 -7.946 -0.177 573 HG22 VAL 71 2HG2 VAL 71 9.627 -8.460 1.504 574 HG23 VAL 71 3HG2 VAL 71 10.967 -7.645 0.696 575 H ASN 72 H ASN 72 11.112 -3.830 3.239 576 HA ASN 72 HA ASN 72 8.775 -2.347 4.255 577 HB2 ASN 72 2HB ASN 72 11.782 -1.908 4.619 578 HB3 ASN 72 3HB ASN 72 10.529 -0.871 5.300 579 HD21 ASN 72 1HD2 ASN 72 11.847 -4.148 5.360 580 HD22 ASN 72 2HD2 ASN 72 11.254 -4.550 6.928 581 H VAL 73 H VAL 73 7.841 -1.309 2.611 582 HA VAL 73 HA VAL 73 9.380 -0.061 0.452 583 HB VAL 73 HB VAL 73 6.354 -0.282 0.842 584 HG11 VAL 73 1HG1 VAL 73 7.929 0.693 -1.574 585 HG12 VAL 73 2HG1 VAL 73 6.907 1.680 -0.528 586 HG13 VAL 73 3HG1 VAL 73 6.184 0.426 -1.535 587 HG21 VAL 73 1HG2 VAL 73 7.415 -2.483 0.485 588 HG22 VAL 73 2HG2 VAL 73 8.199 -1.881 -0.977 589 HG23 VAL 73 3HG2 VAL 73 6.440 -2.022 -0.915 590 H THR 74 H THR 74 10.181 1.897 0.909 591 HA THR 74 HA THR 74 8.718 3.826 2.600 592 HB THR 74 HB THR 74 11.554 3.973 1.481 593 HG1 THR 74 HG1 THR 74 10.507 2.521 3.533 594 HG21 THR 74 1HG2 THR 74 10.685 6.191 2.139 595 HG22 THR 74 2HG2 THR 74 11.932 5.656 3.265 596 HG23 THR 74 3HG2 THR 74 10.234 5.551 3.728 597 H VAL 75 H VAL 75 7.308 4.991 1.387 598 HA VAL 75 HA VAL 75 8.031 5.776 -1.381 599 HB VAL 75 HB VAL 75 6.487 3.947 -1.610 600 HG11 VAL 75 1HG1 VAL 75 4.597 5.292 0.338 601 HG12 VAL 75 2HG1 VAL 75 5.624 3.902 0.698 602 HG13 VAL 75 3HG1 VAL 75 4.342 3.759 -0.498 603 HG21 VAL 75 1HG2 VAL 75 4.921 6.528 -1.975 604 HG22 VAL 75 2HG2 VAL 75 4.510 4.976 -2.709 605 HG23 VAL 75 3HG2 VAL 75 6.013 5.789 -3.147 606 H GLU 76 H GLU 76 7.881 7.914 -1.744 607 HA GLU 76 HA GLU 76 6.595 9.677 0.211 608 HB2 GLU 76 2HB GLU 76 8.885 10.216 -0.562 609 HB3 GLU 76 3HB GLU 76 8.312 10.344 -2.231 610 HG2 GLU 76 2HG GLU 76 6.831 12.224 -1.546 611 HG3 GLU 76 3HG GLU 76 7.421 12.086 0.108 612 H LEU 77 H LEU 77 4.768 10.847 -0.209 613 HA LEU 77 HA LEU 77 3.557 10.806 -2.910 614 HB2 LEU 77 2HB LEU 77 2.023 10.365 -0.303 615 HB3 LEU 77 3HB LEU 77 1.320 10.488 -1.904 616 HG LEU 77 HG LEU 77 2.808 8.346 -2.425 617 HD11 LEU 77 1HD1 LEU 77 2.546 8.089 0.575 618 HD12 LEU 77 2HD1 LEU 77 4.049 8.310 -0.317 619 HD13 LEU 77 3HD1 LEU 77 3.112 6.835 -0.535 620 HD21 LEU 77 1HD2 LEU 77 0.299 8.146 -0.751 621 HD22 LEU 77 2HD2 LEU 77 0.973 6.871 -1.771 622 HD23 LEU 77 3HD2 LEU 77 0.376 8.359 -2.502 623 H GLU 78 H GLU 78 2.616 12.723 -3.522 624 HA GLU 78 HA GLU 78 2.741 15.067 -1.773 625 HB2 GLU 78 2HB GLU 78 2.157 14.648 -4.722 626 HB3 GLU 78 3HB GLU 78 1.755 16.179 -3.955 627 HG2 GLU 78 2HG GLU 78 4.536 15.037 -3.803 628 HG3 GLU 78 3HG GLU 78 4.007 15.962 -5.191 629 H GLU 79 H GLU 79 1.130 15.093 -0.323 630 HA GLU 79 HA GLU 79 -1.574 14.241 -0.961 631 HB2 GLU 79 2HB GLU 79 -0.444 15.380 1.635 632 HB3 GLU 79 3HB GLU 79 -2.069 14.734 1.421 633 HG2 GLU 79 2HG GLU 79 -0.881 12.528 0.716 634 HG3 GLU 79 3HG GLU 79 0.561 13.240 1.440 635 H THR 80 H THR 80 -2.730 15.594 -2.109 636 HA THR 80 HA THR 80 -2.468 18.494 -1.960 637 HB THR 80 HB THR 80 -4.355 16.859 -3.723 638 HG1 THR 80 HG1 THR 80 -1.894 16.509 -3.858 639 HG21 THR 80 1HG2 THR 80 -4.307 18.839 -5.203 640 HG22 THR 80 2HG2 THR 80 -3.226 19.672 -4.083 641 HG23 THR 80 3HG2 THR 80 -4.880 19.293 -3.595 642 H THR 81 H THR 81 -3.459 19.268 -0.204 643 HA THR 81 HA THR 81 -6.327 18.849 0.225 644 HB THR 81 HB THR 81 -5.298 17.228 1.757 645 HG1 THR 81 HG1 THR 81 -6.983 18.004 2.806 646 HG21 THR 81 1HG2 THR 81 -3.039 18.222 1.981 647 HG22 THR 81 2HG2 THR 81 -3.744 17.875 3.561 648 HG23 THR 81 3HG2 THR 81 -3.710 19.534 2.958 649 H GLY 82 H GLY 82 -7.338 20.754 0.699 650 HA2 GLY 82 2HA GLY 82 -7.675 22.994 1.069 651 HA3 GLY 82 3HA GLY 82 -6.156 23.019 1.957 652 H GLY 83 H GLY 83 -6.290 21.952 -1.364 653 HA2 GLY 83 2HA GLY 83 -5.655 22.875 -3.364 654 HA3 GLY 83 3HA GLY 83 -5.677 24.465 -2.628 655 H THR 84 H THR 84 -3.685 22.353 -0.849 656 HA THR 84 HA THR 84 -1.243 23.100 -2.362 657 HB THR 84 HB THR 84 -1.384 24.604 -0.435 658 HG1 THR 84 HG1 THR 84 0.697 23.913 -0.972 659 HG21 THR 84 1HG2 THR 84 -1.432 22.124 1.329 660 HG22 THR 84 2HG2 THR 84 -2.781 23.233 1.080 661 HG23 THR 84 3HG2 THR 84 -1.319 23.795 1.890 662 H THR 85 H THR 85 0.422 21.613 -2.389 663 HA THR 85 HA THR 85 -0.182 18.846 -1.657 664 HB THR 85 HB THR 85 2.203 18.585 -2.881 665 HG1 THR 85 HG1 THR 85 2.406 20.188 -4.514 666 HG21 THR 85 1HG2 THR 85 1.086 18.288 -5.038 667 HG22 THR 85 2HG2 THR 85 -0.340 19.145 -4.441 668 HG23 THR 85 3HG2 THR 85 0.120 17.590 -3.736 669 H THR 86 H THR 86 1.193 17.544 -0.390 670 HA THR 86 HA THR 86 3.306 18.820 1.247 671 HB THR 86 HB THR 86 1.079 17.033 2.351 672 HG1 THR 86 HG1 THR 86 0.364 19.169 1.883 673 HG21 THR 86 1HG2 THR 86 3.213 16.736 3.570 674 HG22 THR 86 2HG2 THR 86 2.015 17.545 4.577 675 HG23 THR 86 3HG2 THR 86 3.305 18.487 3.833 676 H ASN 87 H ASN 87 5.159 17.552 1.003 677 HA ASN 87 HA ASN 87 5.016 14.864 -0.063 678 HB2 ASN 87 2HB ASN 87 7.431 16.308 1.128 679 HB3 ASN 87 3HB ASN 87 7.489 14.809 0.214 680 HD21 ASN 87 1HD2 ASN 87 6.935 14.911 -2.075 681 HD22 ASN 87 2HD2 ASN 87 7.171 16.388 -2.940 682 H THR 88 H THR 88 4.002 13.531 1.316 683 HA THR 88 HA THR 88 5.056 13.167 4.052 684 HB THR 88 HB THR 88 2.319 12.353 2.979 685 HG1 THR 88 HG1 THR 88 1.546 14.192 3.878 686 HG21 THR 88 1HG2 THR 88 3.043 10.976 4.892 687 HG22 THR 88 2HG2 THR 88 1.745 12.069 5.378 688 HG23 THR 88 3HG2 THR 88 3.415 12.434 5.819 689 H THR 89 H THR 89 6.179 11.365 4.357 690 HA THR 89 HA THR 89 6.322 9.332 2.269 691 HB THR 89 HB THR 89 7.965 9.608 4.822 692 HG1 THR 89 HG1 THR 89 8.317 11.420 3.553 693 HG21 THR 89 1HG2 THR 89 8.533 8.049 2.267 694 HG22 THR 89 2HG2 THR 89 8.082 7.339 3.822 695 HG23 THR 89 3HG2 THR 89 9.617 8.196 3.644 696 H TYR 90 H TYR 90 5.138 7.511 2.441 697 HA TYR 90 HA TYR 90 4.211 6.530 5.059 698 HB2 TYR 90 2HB TYR 90 3.261 6.024 2.210 699 HB3 TYR 90 3HB TYR 90 2.729 5.033 3.565 700 HD1 TYR 90 HD1 TYR 90 2.834 8.620 2.420 701 HD2 TYR 90 HD2 TYR 90 0.851 5.711 4.831 702 HE1 TYR 90 HE1 TYR 90 1.061 10.244 2.922 703 HE2 TYR 90 HE2 TYR 90 -0.920 7.327 5.338 704 HH TYR 90 HH TYR 90 -1.244 10.286 3.660 705 H GLU 91 H GLU 91 5.198 4.808 5.916 706 HA GLU 91 HA GLU 91 6.937 3.090 4.239 707 HB2 GLU 91 2HB GLU 91 6.884 3.490 7.263 708 HB3 GLU 91 3HB GLU 91 7.958 2.378 6.415 709 HG2 GLU 91 2HG GLU 91 9.047 4.256 5.270 710 HG3 GLU 91 3HG GLU 91 7.931 5.392 6.031 711 H LEU 92 H LEU 92 5.937 1.298 3.585 712 HA LEU 92 HA LEU 92 3.826 0.044 5.228 713 HB2 LEU 92 2HB LEU 92 4.424 -0.213 2.248 714 HB3 LEU 92 3HB LEU 92 3.207 -1.144 3.101 715 HG LEU 92 HG LEU 92 2.090 1.100 3.695 716 HD11 LEU 92 1HD1 LEU 92 2.531 3.021 2.284 717 HD12 LEU 92 2HD1 LEU 92 3.859 2.170 1.490 718 HD13 LEU 92 3HD1 LEU 92 3.970 2.588 3.201 719 HD21 LEU 92 1HD2 LEU 92 2.162 0.290 0.777 720 HD22 LEU 92 2HD2 LEU 92 0.905 1.255 1.558 721 HD23 LEU 92 3HD2 LEU 92 1.148 -0.424 2.033 722 H ARG 93 H ARG 93 4.699 -1.443 6.489 723 HA ARG 93 HA ARG 93 7.031 -3.027 5.731 724 HB2 ARG 93 2HB ARG 93 6.902 -1.924 7.981 725 HB3 ARG 93 3HB ARG 93 5.471 -2.878 8.362 726 HG2 ARG 93 2HG ARG 93 6.841 -4.946 8.160 727 HG3 ARG 93 3HG ARG 93 8.259 -3.946 7.849 728 HD2 ARG 93 2HD ARG 93 7.899 -2.888 10.121 729 HD3 ARG 93 3HD ARG 93 6.634 -4.090 10.412 730 HE ARG 93 HE ARG 93 9.518 -4.531 10.295 731 HH11 ARG 93 1HH1 ARG 93 6.348 -6.066 10.512 732 HH12 ARG 93 2HH1 ARG 93 6.990 -7.567 11.081 733 HH21 ARG 93 1HH2 ARG 93 10.333 -6.513 10.980 734 HH22 ARG 93 2HH2 ARG 93 9.256 -7.822 11.344 735 H PHE 94 H PHE 94 6.366 -4.588 4.329 736 HA PHE 94 HA PHE 94 3.986 -6.207 4.795 737 HB2 PHE 94 2HB PHE 94 6.105 -6.222 2.596 738 HB3 PHE 94 3HB PHE 94 4.730 -7.322 2.634 739 HD1 PHE 94 HD1 PHE 94 5.808 -3.871 1.973 740 HD2 PHE 94 HD2 PHE 94 2.426 -6.481 2.282 741 HE1 PHE 94 HE1 PHE 94 4.406 -2.206 0.832 742 HE2 PHE 94 HE2 PHE 94 1.039 -4.805 1.143 743 HZ PHE 94 HZ PHE 94 2.025 -2.671 0.418 744 H GLU 95 H GLU 95 4.173 -7.685 6.343 745 HA GLU 95 HA GLU 95 6.698 -9.111 6.825 746 HB2 GLU 95 2HB GLU 95 5.649 -8.012 8.768 747 HB3 GLU 95 3HB GLU 95 4.153 -8.902 8.495 748 HG2 GLU 95 2HG GLU 95 5.245 -11.008 9.042 749 HG3 GLU 95 3HG GLU 95 6.812 -10.209 9.183 750 H VAL 96 H VAL 96 6.927 -11.043 5.910 751 HA VAL 96 HA VAL 96 4.640 -12.420 4.716 752 HB VAL 96 HB VAL 96 6.168 -13.681 3.392 753 HG11 VAL 96 1HG1 VAL 96 7.291 -10.868 3.626 754 HG12 VAL 96 2HG1 VAL 96 5.892 -11.361 2.671 755 HG13 VAL 96 3HG1 VAL 96 7.494 -11.954 2.248 756 HG21 VAL 96 1HG2 VAL 96 8.463 -12.731 5.151 757 HG22 VAL 96 2HG2 VAL 96 8.642 -13.668 3.665 758 HG23 VAL 96 3HG2 VAL 96 7.822 -14.371 5.058 759 H ASP 97 H ASP 97 4.103 -14.524 5.139 760 HA ASP 97 HA ASP 97 5.502 -16.073 7.215 761 HB2 ASP 97 2HB ASP 97 3.537 -15.041 8.316 762 HB3 ASP 97 3HB ASP 97 2.477 -15.630 7.042 763 H GLY 98 H GLY 98 6.108 -17.928 6.263 764 HA2 GLY 98 2HA GLY 98 6.027 -19.883 5.054 765 HA3 GLY 98 3HA GLY 98 4.337 -19.557 4.699 766 H ASP 99 H ASP 99 3.788 -18.565 2.792 767 HA ASP 99 HA ASP 99 5.937 -18.056 0.809 768 HB2 ASP 99 2HB ASP 99 3.202 -19.310 0.298 769 HB3 ASP 99 3HB ASP 99 4.396 -18.934 -0.943 770 H THR 100 H THR 100 3.200 -16.751 2.398 771 HA THR 100 HA THR 100 2.813 -14.664 0.314 772 HB THR 100 HB THR 100 0.922 -16.292 0.329 773 HG1 THR 100 HG1 THR 100 0.580 -14.012 -0.130 774 HG21 THR 100 1HG2 THR 100 -0.634 -16.420 2.218 775 HG22 THR 100 2HG2 THR 100 0.377 -15.324 3.160 776 HG23 THR 100 3HG2 THR 100 0.979 -16.927 2.735 777 H ILE 101 H ILE 101 1.960 -12.626 1.119 778 HA ILE 101 HA ILE 101 3.158 -11.837 3.658 779 HB ILE 101 HB ILE 101 1.621 -10.061 1.708 780 HG12 ILE 101 2HG1 ILE 101 4.643 -10.496 1.728 781 HG13 ILE 101 3HG1 ILE 101 3.553 -11.238 0.565 782 HG21 ILE 101 1HG2 ILE 101 2.905 -8.226 2.761 783 HG22 ILE 101 2HG2 ILE 101 3.683 -9.387 3.840 784 HG23 ILE 101 3HG2 ILE 101 1.943 -9.108 3.952 785 HD11 ILE 101 1HD1 ILE 101 2.931 -9.027 -0.272 786 HD12 ILE 101 2HD1 ILE 101 4.667 -9.309 -0.379 787 HD13 ILE 101 3HD1 ILE 101 4.025 -8.273 0.894 788 H ARG 102 H ARG 102 2.005 -11.606 5.497 789 HA ARG 102 HA ARG 102 -0.929 -11.946 5.446 790 HB2 ARG 102 2HB ARG 102 1.159 -12.450 7.599 791 HB3 ARG 102 3HB ARG 102 -0.569 -12.507 7.925 792 HG2 ARG 102 2HG ARG 102 0.897 -14.283 5.948 793 HG3 ARG 102 3HG ARG 102 0.393 -14.753 7.574 794 HD2 ARG 102 2HD ARG 102 -1.984 -14.309 6.908 795 HD3 ARG 102 3HD ARG 102 -1.420 -13.973 5.264 796 HE ARG 102 HE ARG 102 -0.639 -16.548 6.318 797 HH11 ARG 102 1HH1 ARG 102 -3.122 -14.826 4.507 798 HH12 ARG 102 2HH1 ARG 102 -3.719 -16.260 3.740 799 HH21 ARG 102 1HH2 ARG 102 -1.421 -18.405 5.302 800 HH22 ARG 102 2HH2 ARG 102 -2.753 -18.296 4.193 801 H ARG 103 H ARG 103 1.582 -9.663 6.362 802 HA ARG 103 HA ARG 103 -0.439 -7.908 7.643 803 HB2 ARG 103 2HB ARG 103 0.965 -9.175 9.339 804 HB3 ARG 103 3HB ARG 103 2.384 -8.374 8.703 805 HG2 ARG 103 2HG ARG 103 0.368 -6.383 9.409 806 HG3 ARG 103 3HG ARG 103 0.646 -7.459 10.774 807 HD2 ARG 103 2HD ARG 103 2.885 -6.043 9.296 808 HD3 ARG 103 3HD ARG 103 2.061 -5.360 10.703 809 HE ARG 103 HE ARG 103 3.248 -8.025 10.995 810 HH11 ARG 103 1HH1 ARG 103 3.549 -4.567 11.658 811 HH12 ARG 103 2HH1 ARG 103 4.726 -4.791 12.911 812 HH21 ARG 103 1HH2 ARG 103 4.782 -8.290 12.648 813 HH22 ARG 103 2HH2 ARG 103 5.420 -6.900 13.472 814 H VAL 104 H VAL 104 -0.179 -5.734 7.347 815 HA VAL 104 HA VAL 104 2.241 -4.650 6.096 816 HB VAL 104 HB VAL 104 0.817 -4.933 4.160 817 HG11 VAL 104 1HG1 VAL 104 -1.369 -5.183 5.245 818 HG12 VAL 104 2HG1 VAL 104 -1.447 -4.001 3.938 819 HG13 VAL 104 3HG1 VAL 104 -1.400 -3.455 5.616 820 HG21 VAL 104 1HG2 VAL 104 0.602 -2.611 3.349 821 HG22 VAL 104 2HG2 VAL 104 2.107 -2.837 4.241 822 HG23 VAL 104 3HG2 VAL 104 0.748 -2.009 5.004 823 H THR 105 H THR 105 2.935 -3.368 7.714 824 HA THR 105 HA THR 105 1.072 -1.683 9.248 825 HB THR 105 HB THR 105 4.059 -2.197 9.601 826 HG1 THR 105 HG1 THR 105 1.706 -3.167 10.851 827 HG21 THR 105 1HG2 THR 105 3.841 -1.023 11.771 828 HG22 THR 105 2HG2 THR 105 2.174 -0.601 11.385 829 HG23 THR 105 3HG2 THR 105 3.494 0.073 10.428 830 H VAL 106 H VAL 106 0.534 0.108 8.110 831 HA VAL 106 HA VAL 106 2.531 1.550 6.516 832 HB VAL 106 HB VAL 106 0.322 1.162 5.494 833 HG11 VAL 106 1HG1 VAL 106 -1.100 1.156 7.501 834 HG12 VAL 106 2HG1 VAL 106 -1.728 2.257 6.279 835 HG13 VAL 106 3HG1 VAL 106 -0.873 2.900 7.681 836 HG21 VAL 106 1HG2 VAL 106 1.624 3.124 4.801 837 HG22 VAL 106 2HG2 VAL 106 0.828 4.107 6.032 838 HG23 VAL 106 3HG2 VAL 106 -0.105 3.448 4.686 839 H THR 107 H THR 107 3.350 3.542 7.087 840 HA THR 107 HA THR 107 2.554 4.745 9.680 841 HB THR 107 HB THR 107 5.427 4.382 8.685 842 HG1 THR 107 HG1 THR 107 3.889 2.926 10.589 843 HG21 THR 107 1HG2 THR 107 6.067 5.088 10.972 844 HG22 THR 107 2HG2 THR 107 4.371 5.374 11.364 845 HG23 THR 107 3HG2 THR 107 5.167 6.365 10.140 846 H GLN 108 H GLN 108 1.758 6.713 9.178 847 HA GLN 108 HA GLN 108 2.590 8.253 6.886 848 HB2 GLN 108 2HB GLN 108 0.246 8.310 7.665 849 HB3 GLN 108 3HB GLN 108 0.752 8.988 9.210 850 HG2 GLN 108 2HG GLN 108 1.490 11.043 8.108 851 HG3 GLN 108 3HG GLN 108 1.140 10.347 6.526 852 HE21 GLN 108 1HE2 GLN 108 -0.281 11.991 5.974 853 HE22 GLN 108 2HE2 GLN 108 -1.838 12.164 6.702 854 H ASN 109 H ASN 109 4.626 8.961 7.021 855 HA ASN 109 HA ASN 109 5.742 10.207 9.418 856 HB2 ASN 109 2HB ASN 109 7.037 9.615 6.717 857 HB3 ASN 109 3HB ASN 109 7.872 10.282 8.118 858 HD21 ASN 109 1HD2 ASN 109 6.370 7.416 6.778 859 HD22 ASN 109 2HD2 ASN 109 7.059 6.302 7.906 860 H GLY 110 H GLY 110 4.522 12.031 9.552 861 HA2 GLY 110 2HA GLY 110 5.470 14.368 8.276 862 HA3 GLY 110 3HA GLY 110 3.893 13.933 7.610 863 H GLY 111 H GLY 111 5.296 13.688 10.852 864 HA2 GLY 111 2HA GLY 111 2.858 14.920 12.028 865 HA3 GLY 111 3HA GLY 111 3.901 13.739 12.812 866 H SER 112 H SER 112 3.859 17.035 11.540 867 HA SER 112 HA SER 112 6.235 18.001 12.735 868 HB2 SER 112 2HB SER 112 3.728 19.542 11.932 869 HB3 SER 112 3HB SER 112 5.341 20.223 12.156 870 HG SER 112 HG SER 112 4.283 18.821 10.033 871 H LEU 113 H LEU 113 6.384 17.479 14.914 872 HA LEU 113 HA LEU 113 4.301 18.512 16.741 873 HB2 LEU 113 2HB LEU 113 5.009 16.009 16.738 874 HB3 LEU 113 3HB LEU 113 6.479 16.539 17.521 875 HG LEU 113 HG LEU 113 4.747 15.620 19.093 876 HD11 LEU 113 1HD1 LEU 113 5.399 18.520 19.662 877 HD12 LEU 113 2HD1 LEU 113 6.436 17.134 20.000 878 HD13 LEU 113 3HD1 LEU 113 4.899 17.307 20.847 879 HD21 LEU 113 1HD2 LEU 113 2.726 16.900 19.621 880 HD22 LEU 113 2HD2 LEU 113 2.738 16.399 17.932 881 HD23 LEU 113 3HD2 LEU 113 3.117 18.071 18.355 882 H GLU 114 H GLU 114 4.816 20.497 17.252 883 HA GLU 114 HA GLU 114 7.181 20.980 18.883 884 HB2 GLU 114 2HB GLU 114 7.693 23.124 17.778 885 HB3 GLU 114 3HB GLU 114 7.874 21.783 16.655 886 HG2 GLU 114 2HG GLU 114 5.737 22.324 15.599 887 HG3 GLU 114 3HG GLU 114 5.452 23.615 16.766 888 H HIS 115 H HIS 115 6.943 23.106 20.032 889 HA HIS 115 HA HIS 115 4.300 24.275 20.314 890 HB2 HIS 115 2HB HIS 115 4.057 22.334 21.809 891 HB3 HIS 115 3HB HIS 115 5.595 22.672 22.585 892 HD1 HIS 115 HD1 HIS 115 2.045 23.986 22.397 893 HD2 HIS 115 HD2 HIS 115 5.443 24.419 24.748 894 HE1 HIS 115 HE1 HIS 115 1.316 25.298 24.406 895 HE2 HIS 115 HE2 HIS 115 3.323 25.316 25.915 896 H HIS 116 H HIS 116 5.030 26.315 19.966 897 HA HIS 116 HA HIS 116 7.366 27.314 21.509 898 HB2 HIS 116 2HB HIS 116 7.653 29.018 19.664 899 HB3 HIS 116 3HB HIS 116 7.953 27.361 19.171 900 HD1 HIS 116 HD1 HIS 116 6.572 26.456 17.254 901 HD2 HIS 116 HD2 HIS 116 5.231 30.164 18.527 902 HE1 HIS 116 HE1 HIS 116 4.954 27.222 15.500 903 HE2 HIS 116 HE2 HIS 116 4.002 29.362 16.408 904 H HIS 117 H HIS 117 6.902 28.756 23.026 905 HA HIS 117 HA HIS 117 4.300 30.067 23.163 906 HB2 HIS 117 2HB HIS 117 5.165 29.103 25.238 907 HB3 HIS 117 3HB HIS 117 6.667 30.012 25.094 908 HD1 HIS 117 HD1 HIS 117 2.941 30.809 25.347 909 HD2 HIS 117 HD2 HIS 117 6.609 32.278 26.630 910 HE1 HIS 117 HE1 HIS 117 2.414 32.836 26.714 911 HE2 HIS 117 HE2 HIS 117 4.631 33.604 27.616 912 H HIS 118 H HIS 118 3.958 32.232 22.817 913 HA HIS 118 HA HIS 118 5.960 33.807 21.492 914 HB2 HIS 118 2HB HIS 118 3.581 33.980 20.861 915 HB3 HIS 118 3HB HIS 118 3.179 34.589 22.461 916 HD1 HIS 118 HD1 HIS 118 3.160 37.057 22.681 917 HD2 HIS 118 HD2 HIS 118 5.396 35.845 19.407 918 HE1 HIS 118 HE1 HIS 118 3.837 39.169 21.520 919 HE2 HIS 118 HE2 HIS 118 5.358 38.411 19.664 920 H HIS 119 H HIS 119 7.617 34.417 22.745 921 HA HIS 119 HA HIS 119 7.482 35.417 25.408 922 HB2 HIS 119 2HB HIS 119 9.567 34.471 24.360 923 HB3 HIS 119 3HB HIS 119 9.653 35.868 23.293 924 HD1 HIS 119 HD1 HIS 119 10.552 34.697 26.678 925 HD2 HIS 119 HD2 HIS 119 10.355 38.338 24.683 926 HE1 HIS 119 HE1 HIS 119 11.837 36.320 28.093 927 HE2 HIS 119 HE2 HIS 119 11.627 38.529 26.912 928 H HIS 120 H HIS 120 7.605 37.577 26.103 929 HA HIS 120 HA HIS 120 7.116 39.760 24.212 930 HB2 HIS 120 2HB HIS 120 5.179 40.585 25.631 931 HB3 HIS 120 3HB HIS 120 4.842 39.115 24.729 932 HD1 HIS 120 HD1 HIS 120 4.656 40.533 28.073 933 HD2 HIS 120 HD2 HIS 120 4.923 36.707 26.467 934 HE1 HIS 120 HE1 HIS 120 3.926 38.977 29.900 935 HE2 HIS 120 HE2 HIS 120 4.259 36.672 28.955 Start of MODEL 10 1 H1 MET 1 1H MET 1 3.284 -15.273 -5.992 2 H2 MET 1 2H MET 1 2.993 -15.735 -7.588 3 H3 MET 1 3H MET 1 2.539 -14.195 -7.061 4 HA MET 1 HA MET 1 4.537 -14.119 -8.405 5 HB2 MET 1 2HB MET 1 5.029 -13.504 -5.459 6 HB3 MET 1 3HB MET 1 5.951 -12.833 -6.801 7 HG2 MET 1 2HG MET 1 3.021 -12.357 -6.225 8 HG3 MET 1 3HG MET 1 4.339 -11.213 -5.973 9 HE1 MET 1 1HE MET 1 6.137 -11.633 -8.594 10 HE2 MET 1 2HE MET 1 5.698 -10.054 -7.941 11 HE3 MET 1 3HE MET 1 5.438 -10.406 -9.648 12 H GLN 2 H GLN 2 7.119 -14.263 -7.665 13 HA GLN 2 HA GLN 2 7.684 -17.011 -6.682 14 HB2 GLN 2 2HB GLN 2 9.519 -17.139 -8.377 15 HB3 GLN 2 3HB GLN 2 7.917 -17.078 -9.099 16 HG2 GLN 2 2HG GLN 2 8.242 -14.683 -9.615 17 HG3 GLN 2 3HG GLN 2 9.853 -14.750 -8.899 18 HE21 GLN 2 1HE2 GLN 2 11.465 -15.984 -9.951 19 HE22 GLN 2 2HE2 GLN 2 11.360 -16.354 -11.637 20 H ASP 3 H ASP 3 7.717 -14.118 -5.648 21 HA ASP 3 HA ASP 3 9.983 -14.294 -3.949 22 HB2 ASP 3 2HB ASP 3 11.318 -12.442 -4.714 23 HB3 ASP 3 3HB ASP 3 11.064 -13.473 -6.114 24 H ILE 4 H ILE 4 10.087 -12.389 -2.497 25 HA ILE 4 HA ILE 4 7.426 -11.475 -1.783 26 HB ILE 4 HB ILE 4 10.078 -11.113 -0.327 27 HG12 ILE 4 2HG1 ILE 4 9.412 -13.489 -0.459 28 HG13 ILE 4 3HG1 ILE 4 9.284 -12.906 1.194 29 HG21 ILE 4 1HG2 ILE 4 8.717 -10.473 1.644 30 HG22 ILE 4 2HG2 ILE 4 7.257 -10.535 0.654 31 HG23 ILE 4 3HG2 ILE 4 8.510 -9.342 0.306 32 HD11 ILE 4 1HD1 ILE 4 7.438 -14.350 0.649 33 HD12 ILE 4 2HD1 ILE 4 7.000 -13.350 -0.732 34 HD13 ILE 4 3HD1 ILE 4 6.837 -12.712 0.908 35 H VAL 5 H VAL 5 10.503 -10.064 -2.874 36 HA VAL 5 HA VAL 5 10.155 -7.404 -2.086 37 HB VAL 5 HB VAL 5 11.716 -8.492 -4.476 38 HG11 VAL 5 1HG1 VAL 5 13.071 -6.419 -4.360 39 HG12 VAL 5 2HG1 VAL 5 11.983 -5.778 -3.126 40 HG13 VAL 5 3HG1 VAL 5 11.387 -6.075 -4.760 41 HG21 VAL 5 1HG2 VAL 5 13.680 -8.391 -2.971 42 HG22 VAL 5 2HG2 VAL 5 12.434 -9.473 -2.348 43 HG23 VAL 5 3HG2 VAL 5 12.632 -7.867 -1.650 44 H GLU 6 H GLU 6 9.481 -8.850 -5.279 45 HA GLU 6 HA GLU 6 8.399 -6.509 -6.458 46 HB2 GLU 6 2HB GLU 6 9.396 -8.492 -7.683 47 HB3 GLU 6 3HB GLU 6 7.950 -9.405 -7.282 48 HG2 GLU 6 2HG GLU 6 7.837 -8.594 -9.576 49 HG3 GLU 6 3HG GLU 6 6.571 -7.864 -8.594 50 H ALA 7 H ALA 7 6.974 -9.242 -4.722 51 HA ALA 7 HA ALA 7 4.234 -8.722 -5.162 52 HB1 ALA 7 1HB ALA 7 5.083 -10.848 -4.242 53 HB2 ALA 7 2HB ALA 7 3.847 -10.146 -3.195 54 HB3 ALA 7 3HB ALA 7 5.555 -10.026 -2.754 55 H ALA 8 H ALA 8 6.507 -7.516 -2.722 56 HA ALA 8 HA ALA 8 4.569 -6.215 -1.048 57 HB1 ALA 8 1HB ALA 8 6.544 -5.327 0.126 58 HB2 ALA 8 2HB ALA 8 7.592 -5.897 -1.178 59 HB3 ALA 8 3HB ALA 8 6.712 -7.055 -0.178 60 H LYS 9 H LYS 9 6.817 -5.210 -3.552 61 HA LYS 9 HA LYS 9 6.485 -2.435 -3.551 62 HB2 LYS 9 2HB LYS 9 8.293 -3.442 -4.767 63 HB3 LYS 9 3HB LYS 9 7.199 -4.472 -5.682 64 HG2 LYS 9 2HG LYS 9 6.308 -2.333 -6.774 65 HG3 LYS 9 3HG LYS 9 7.685 -1.498 -6.041 66 HD2 LYS 9 2HD LYS 9 9.265 -2.823 -7.280 67 HD3 LYS 9 3HD LYS 9 8.019 -3.977 -7.768 68 HE2 LYS 9 2HE LYS 9 6.940 -2.052 -9.057 69 HE3 LYS 9 3HE LYS 9 8.432 -1.151 -8.767 70 HZ1 LYS 9 1HZ LYS 9 8.394 -2.343 -10.913 71 HZ2 LYS 9 2HZ LYS 9 8.317 -3.815 -10.078 72 HZ3 LYS 9 3HZ LYS 9 9.676 -2.819 -9.918 73 H GLN 10 H GLN 10 4.868 -4.900 -5.583 74 HA GLN 10 HA GLN 10 3.087 -3.153 -6.911 75 HB2 GLN 10 2HB GLN 10 2.925 -6.160 -6.460 76 HB3 GLN 10 3HB GLN 10 1.861 -5.271 -7.544 77 HG2 GLN 10 2HG GLN 10 4.867 -5.529 -7.828 78 HG3 GLN 10 3HG GLN 10 3.660 -6.395 -8.772 79 HE21 GLN 10 1HE2 GLN 10 2.459 -5.258 -10.342 80 HE22 GLN 10 2HE2 GLN 10 2.963 -3.718 -10.945 81 H ALA 11 H ALA 11 2.857 -4.994 -3.923 82 HA ALA 11 HA ALA 11 0.121 -4.718 -3.378 83 HB1 ALA 11 1HB ALA 11 0.722 -5.197 -1.039 84 HB2 ALA 11 2HB ALA 11 2.427 -4.913 -1.406 85 HB3 ALA 11 3HB ALA 11 1.576 -6.271 -2.147 86 H ALA 12 H ALA 12 2.911 -2.705 -2.418 87 HA ALA 12 HA ALA 12 1.599 -0.868 -0.783 88 HB1 ALA 12 1HB ALA 12 3.556 0.585 -1.133 89 HB2 ALA 12 2HB ALA 12 4.057 -0.405 -2.509 90 HB3 ALA 12 3HB ALA 12 4.044 -1.090 -0.883 91 H ILE 13 H ILE 13 2.377 -0.618 -4.251 92 HA ILE 13 HA ILE 13 1.300 1.957 -4.713 93 HB ILE 13 HB ILE 13 1.677 -0.286 -6.764 94 HG12 ILE 13 2HG1 ILE 13 3.695 1.862 -5.936 95 HG13 ILE 13 3HG1 ILE 13 3.763 0.180 -5.431 96 HG21 ILE 13 1HG2 ILE 13 1.629 2.728 -7.182 97 HG22 ILE 13 2HG2 ILE 13 0.324 1.624 -7.596 98 HG23 ILE 13 3HG2 ILE 13 1.868 1.509 -8.438 99 HD11 ILE 13 1HD1 ILE 13 4.012 1.159 -8.276 100 HD12 ILE 13 2HD1 ILE 13 4.103 -0.520 -7.737 101 HD13 ILE 13 3HD1 ILE 13 5.328 0.638 -7.223 102 H ALA 14 H ALA 14 -0.079 -1.321 -4.995 103 HA ALA 14 HA ALA 14 -2.540 -0.625 -6.226 104 HB1 ALA 14 1HB ALA 14 -3.284 -2.874 -5.602 105 HB2 ALA 14 2HB ALA 14 -1.889 -3.050 -4.530 106 HB3 ALA 14 3HB ALA 14 -1.654 -2.907 -6.274 107 H ILE 15 H ILE 15 -1.571 -1.012 -2.835 108 HA ILE 15 HA ILE 15 -4.041 -0.758 -1.545 109 HB ILE 15 HB ILE 15 -1.192 -0.091 -0.694 110 HG12 ILE 15 2HG1 ILE 15 -3.119 -2.267 0.245 111 HG13 ILE 15 3HG1 ILE 15 -1.848 -2.492 -0.948 112 HG21 ILE 15 1HG2 ILE 15 -1.918 0.233 1.639 113 HG22 ILE 15 2HG2 ILE 15 -3.603 0.159 1.126 114 HG23 ILE 15 3HG2 ILE 15 -2.576 1.483 0.577 115 HD11 ILE 15 1HD1 ILE 15 -1.461 -1.853 1.976 116 HD12 ILE 15 2HD1 ILE 15 -0.165 -1.985 0.783 117 HD13 ILE 15 3HD1 ILE 15 -1.158 -3.390 1.164 118 H PHE 16 H PHE 16 -1.812 1.717 -2.762 119 HA PHE 16 HA PHE 16 -3.219 3.990 -1.749 120 HB2 PHE 16 2HB PHE 16 -1.264 3.847 -4.077 121 HB3 PHE 16 3HB PHE 16 -1.752 5.313 -3.228 122 HD1 PHE 16 HD1 PHE 16 -1.661 4.256 -0.386 123 HD2 PHE 16 HD2 PHE 16 1.070 3.844 -3.651 124 HE1 PHE 16 HE1 PHE 16 0.200 3.990 1.193 125 HE2 PHE 16 HE2 PHE 16 2.917 3.577 -2.065 126 HZ PHE 16 HZ PHE 16 2.481 3.654 0.351 127 H GLN 17 H GLN 17 -3.387 2.144 -4.749 128 HA GLN 17 HA GLN 17 -5.047 3.863 -6.265 129 HB2 GLN 17 2HB GLN 17 -4.885 0.823 -6.362 130 HB3 GLN 17 3HB GLN 17 -5.610 1.843 -7.604 131 HG2 GLN 17 2HG GLN 17 -3.459 2.825 -8.138 132 HG3 GLN 17 3HG GLN 17 -2.699 1.993 -6.782 133 HE21 GLN 17 1HE2 GLN 17 -1.224 0.873 -7.972 134 HE22 GLN 17 2HE2 GLN 17 -1.628 -0.374 -9.089 135 H LEU 18 H LEU 18 -5.833 1.272 -3.917 136 HA LEU 18 HA LEU 18 -8.654 1.616 -4.013 137 HB2 LEU 18 2HB LEU 18 -6.858 0.529 -1.817 138 HB3 LEU 18 3HB LEU 18 -8.586 0.695 -1.587 139 HG LEU 18 HG LEU 18 -8.245 -1.582 -2.110 140 HD11 LEU 18 1HD1 LEU 18 -9.425 -1.969 -4.203 141 HD12 LEU 18 2HD1 LEU 18 -9.142 -0.298 -4.700 142 HD13 LEU 18 3HD1 LEU 18 -10.154 -0.647 -3.294 143 HD21 LEU 18 1HD2 LEU 18 -5.967 -1.463 -2.950 144 HD22 LEU 18 2HD2 LEU 18 -6.542 -0.793 -4.479 145 HD23 LEU 18 3HD2 LEU 18 -6.980 -2.440 -4.011 146 H TRP 19 H TRP 19 -6.130 3.057 -1.952 147 HA TRP 19 HA TRP 19 -7.676 4.378 -0.090 148 HB2 TRP 19 2HB TRP 19 -4.925 4.920 -1.186 149 HB3 TRP 19 3HB TRP 19 -5.629 6.023 -0.015 150 HD1 TRP 19 HD1 TRP 19 -6.591 2.504 0.849 151 HE1 TRP 19 HE1 TRP 19 -5.113 1.694 2.793 152 HE3 TRP 19 HE3 TRP 19 -3.095 6.232 0.815 153 HZ2 TRP 19 HZ2 TRP 19 -2.772 2.538 4.145 154 HZ3 TRP 19 HZ3 TRP 19 -1.273 6.171 2.467 155 HH2 TRP 19 HH2 TRP 19 -1.123 4.367 4.092 156 H LYS 20 H LYS 20 -6.867 5.497 -3.341 157 HA LYS 20 HA LYS 20 -8.338 8.014 -2.937 158 HB2 LYS 20 2HB LYS 20 -7.542 8.592 -5.227 159 HB3 LYS 20 3HB LYS 20 -6.240 8.254 -4.093 160 HG2 LYS 20 2HG LYS 20 -5.910 6.028 -5.075 161 HG3 LYS 20 3HG LYS 20 -7.266 6.294 -6.178 162 HD2 LYS 20 2HD LYS 20 -5.113 6.668 -7.315 163 HD3 LYS 20 3HD LYS 20 -6.055 8.157 -7.241 164 HE2 LYS 20 2HE LYS 20 -4.673 8.833 -5.238 165 HE3 LYS 20 3HE LYS 20 -3.670 7.408 -5.519 166 HZ1 LYS 20 1HZ LYS 20 -4.079 9.672 -7.404 167 HZ2 LYS 20 2HZ LYS 20 -3.172 8.285 -7.743 168 HZ3 LYS 20 3HZ LYS 20 -2.675 9.342 -6.520 169 H ASN 21 H ASN 21 -8.658 4.912 -4.560 170 HA ASN 21 HA ASN 21 -11.441 5.502 -5.284 171 HB2 ASN 21 2HB ASN 21 -10.133 6.088 -7.328 172 HB3 ASN 21 3HB ASN 21 -9.398 4.489 -7.328 173 HD21 ASN 21 1HD2 ASN 21 -10.694 2.703 -7.915 174 HD22 ASN 21 2HD2 ASN 21 -12.187 2.885 -8.756 175 HA PRO 22 HA PRO 22 -10.832 1.399 -3.165 176 HB2 PRO 22 2HB PRO 22 -13.367 1.318 -2.031 177 HB3 PRO 22 3HB PRO 22 -11.990 2.171 -1.305 178 HG2 PRO 22 2HG PRO 22 -14.208 3.297 -2.993 179 HG3 PRO 22 3HG PRO 22 -13.517 3.925 -1.477 180 HD2 PRO 22 2HD PRO 22 -12.790 4.965 -3.848 181 HD3 PRO 22 3HD PRO 22 -11.604 4.774 -2.535 182 H THR 23 H THR 23 -13.007 2.480 -5.564 183 HA THR 23 HA THR 23 -14.346 -0.069 -6.003 184 HB THR 23 HB THR 23 -15.589 1.250 -7.753 185 HG1 THR 23 HG1 THR 23 -14.464 2.925 -8.437 186 HG21 THR 23 1HG2 THR 23 -15.490 2.582 -5.018 187 HG22 THR 23 2HG2 THR 23 -16.472 1.176 -5.440 188 HG23 THR 23 3HG2 THR 23 -16.800 2.739 -6.193 189 H ASP 24 H ASP 24 -11.304 0.705 -6.694 190 HA ASP 24 HA ASP 24 -11.226 0.014 -9.521 191 HB2 ASP 24 2HB ASP 24 -9.477 1.534 -8.460 192 HB3 ASP 24 3HB ASP 24 -8.841 0.123 -7.617 193 HA PRO 25 HA PRO 25 -11.584 -4.304 -8.213 194 HB2 PRO 25 2HB PRO 25 -12.034 -5.421 -10.667 195 HB3 PRO 25 3HB PRO 25 -13.261 -4.460 -9.816 196 HG2 PRO 25 2HG PRO 25 -11.451 -3.629 -12.053 197 HG3 PRO 25 3HG PRO 25 -13.175 -3.271 -11.806 198 HD2 PRO 25 2HD PRO 25 -11.153 -1.498 -11.193 199 HD3 PRO 25 3HD PRO 25 -12.738 -1.495 -10.387 200 H GLU 26 H GLU 26 -9.152 -3.054 -10.384 201 HA GLU 26 HA GLU 26 -7.793 -5.579 -10.871 202 HB2 GLU 26 2HB GLU 26 -6.975 -2.711 -11.514 203 HB3 GLU 26 3HB GLU 26 -6.120 -4.150 -12.071 204 HG2 GLU 26 2HG GLU 26 -8.059 -4.839 -13.388 205 HG3 GLU 26 3HG GLU 26 -8.996 -3.476 -12.771 206 H ALA 27 H ALA 27 -7.303 -2.720 -8.846 207 HA ALA 27 HA ALA 27 -4.658 -3.268 -7.973 208 HB1 ALA 27 1HB ALA 27 -6.821 -1.599 -6.645 209 HB2 ALA 27 2HB ALA 27 -5.688 -1.031 -7.874 210 HB3 ALA 27 3HB ALA 27 -5.089 -1.530 -6.292 211 H GLN 28 H GLN 28 -7.833 -3.749 -6.420 212 HA GLN 28 HA GLN 28 -6.812 -5.177 -4.158 213 HB2 GLN 28 2HB GLN 28 -9.184 -5.579 -3.593 214 HB3 GLN 28 3HB GLN 28 -8.867 -3.892 -3.979 215 HG2 GLN 28 2HG GLN 28 -9.770 -4.311 -6.280 216 HG3 GLN 28 3HG GLN 28 -10.227 -5.929 -5.756 217 HE21 GLN 28 1HE2 GLN 28 -10.950 -2.535 -5.525 218 HE22 GLN 28 2HE2 GLN 28 -12.470 -2.708 -4.722 219 H GLU 29 H GLU 29 -7.660 -6.132 -7.390 220 HA GLU 29 HA GLU 29 -8.096 -8.911 -7.023 221 HB2 GLU 29 2HB GLU 29 -8.620 -7.842 -9.158 222 HB3 GLU 29 3HB GLU 29 -6.935 -7.402 -9.404 223 HG2 GLU 29 2HG GLU 29 -6.356 -9.819 -9.568 224 HG3 GLU 29 3HG GLU 29 -8.058 -10.225 -9.368 225 H LEU 30 H LEU 30 -5.104 -7.118 -7.899 226 HA LEU 30 HA LEU 30 -3.450 -9.432 -7.813 227 HB2 LEU 30 2HB LEU 30 -1.564 -7.971 -8.155 228 HB3 LEU 30 3HB LEU 30 -2.885 -7.484 -9.189 229 HG LEU 30 HG LEU 30 -3.308 -5.666 -7.261 230 HD11 LEU 30 1HD1 LEU 30 -1.627 -6.432 -5.690 231 HD12 LEU 30 2HD1 LEU 30 -1.196 -4.833 -6.282 232 HD13 LEU 30 3HD1 LEU 30 -0.356 -6.256 -6.900 233 HD21 LEU 30 1HD2 LEU 30 -2.824 -5.094 -9.582 234 HD22 LEU 30 2HD2 LEU 30 -1.099 -5.361 -9.311 235 HD23 LEU 30 3HD2 LEU 30 -1.932 -4.047 -8.477 236 H LEU 31 H LEU 31 -4.401 -7.043 -5.434 237 HA LEU 31 HA LEU 31 -2.656 -7.759 -3.326 238 HB2 LEU 31 2HB LEU 31 -5.418 -6.505 -3.329 239 HB3 LEU 31 3HB LEU 31 -4.551 -6.818 -1.833 240 HG LEU 31 HG LEU 31 -3.559 -4.994 -4.056 241 HD11 LEU 31 1HD1 LEU 31 -4.748 -4.264 -1.362 242 HD12 LEU 31 2HD1 LEU 31 -5.528 -4.055 -2.934 243 HD13 LEU 31 3HD1 LEU 31 -4.071 -3.142 -2.550 244 HD21 LEU 31 1HD2 LEU 31 -1.859 -4.296 -2.420 245 HD22 LEU 31 2HD2 LEU 31 -1.713 -6.005 -2.819 246 HD23 LEU 31 3HD2 LEU 31 -2.440 -5.517 -1.284 247 H ASN 32 H ASN 32 -5.613 -9.278 -4.505 248 HA ASN 32 HA ASN 32 -6.001 -10.976 -2.194 249 HB2 ASN 32 2HB ASN 32 -7.775 -10.265 -3.928 250 HB3 ASN 32 3HB ASN 32 -7.068 -11.453 -5.013 251 HD21 ASN 32 1HD2 ASN 32 -9.751 -11.210 -3.722 252 HD22 ASN 32 2HD2 ASN 32 -10.022 -12.735 -2.959 253 H LYS 33 H LYS 33 -4.096 -11.061 -5.059 254 HA LYS 33 HA LYS 33 -3.524 -13.891 -5.076 255 HB2 LYS 33 2HB LYS 33 -2.169 -11.586 -6.560 256 HB3 LYS 33 3HB LYS 33 -2.011 -13.301 -6.939 257 HG2 LYS 33 2HG LYS 33 -4.417 -13.405 -7.530 258 HG3 LYS 33 3HG LYS 33 -4.595 -11.704 -7.110 259 HD2 LYS 33 2HD LYS 33 -4.453 -12.008 -9.547 260 HD3 LYS 33 3HD LYS 33 -3.088 -11.068 -8.937 261 HE2 LYS 33 2HE LYS 33 -2.406 -12.732 -10.636 262 HE3 LYS 33 3HE LYS 33 -1.635 -13.026 -9.078 263 HZ1 LYS 33 1HZ LYS 33 -3.922 -14.510 -10.258 264 HZ2 LYS 33 2HZ LYS 33 -3.400 -14.724 -8.666 265 HZ3 LYS 33 3HZ LYS 33 -2.371 -15.097 -9.951 266 H ILE 34 H ILE 34 -1.923 -10.924 -3.903 267 HA ILE 34 HA ILE 34 0.510 -12.462 -3.156 268 HB ILE 34 HB ILE 34 1.693 -10.289 -3.112 269 HG12 ILE 34 2HG1 ILE 34 -1.044 -9.119 -3.794 270 HG13 ILE 34 3HG1 ILE 34 -0.029 -8.735 -2.415 271 HG21 ILE 34 1HG2 ILE 34 0.124 -10.673 -5.693 272 HG22 ILE 34 2HG2 ILE 34 1.575 -11.564 -5.232 273 HG23 ILE 34 3HG2 ILE 34 1.667 -9.829 -5.528 274 HD11 ILE 34 1HD1 ILE 34 0.565 -8.023 -5.285 275 HD12 ILE 34 2HD1 ILE 34 1.565 -7.634 -3.885 276 HD13 ILE 34 3HD1 ILE 34 -0.047 -6.944 -4.032 277 H LEU 35 H LEU 35 -1.910 -10.262 -1.814 278 HA LEU 35 HA LEU 35 -0.934 -10.696 0.953 279 HB2 LEU 35 2HB LEU 35 -2.531 -8.519 -0.400 280 HB3 LEU 35 3HB LEU 35 -2.968 -8.883 1.255 281 HG LEU 35 HG LEU 35 -1.422 -6.949 1.037 282 HD11 LEU 35 1HD1 LEU 35 0.096 -7.563 2.848 283 HD12 LEU 35 2HD1 LEU 35 -0.244 -9.275 2.587 284 HD13 LEU 35 3HD1 LEU 35 -1.522 -8.192 3.139 285 HD21 LEU 35 1HD2 LEU 35 0.939 -7.263 0.484 286 HD22 LEU 35 2HD2 LEU 35 -0.085 -7.721 -0.876 287 HD23 LEU 35 3HD2 LEU 35 0.648 -8.971 0.129 288 H SER 36 H SER 36 -2.971 -10.656 2.506 289 HA SER 36 HA SER 36 -4.763 -12.821 1.833 290 HB2 SER 36 2HB SER 36 -4.727 -10.992 4.279 291 HB3 SER 36 3HB SER 36 -5.637 -12.500 4.122 292 HG SER 36 HG SER 36 -3.110 -13.027 3.519 293 HA PRO 37 HA PRO 37 -8.249 -10.289 0.255 294 HB2 PRO 37 2HB PRO 37 -9.929 -12.273 1.775 295 HB3 PRO 37 3HB PRO 37 -10.046 -11.755 0.078 296 HG2 PRO 37 2HG PRO 37 -9.032 -14.146 0.671 297 HG3 PRO 37 3HG PRO 37 -8.325 -13.160 -0.631 298 HD2 PRO 37 2HD PRO 37 -7.296 -13.616 2.159 299 HD3 PRO 37 3HD PRO 37 -6.399 -13.492 0.627 300 H ASP 38 H ASP 38 -7.942 -11.276 3.618 301 HA ASP 38 HA ASP 38 -9.656 -9.539 4.953 302 HB2 ASP 38 2HB ASP 38 -8.455 -11.367 6.090 303 HB3 ASP 38 3HB ASP 38 -6.907 -10.585 5.793 304 H VAL 39 H VAL 39 -6.312 -9.003 3.875 305 HA VAL 39 HA VAL 39 -5.910 -6.503 5.159 306 HB VAL 39 HB VAL 39 -4.373 -7.740 2.825 307 HG11 VAL 39 1HG1 VAL 39 -3.572 -5.444 4.659 308 HG12 VAL 39 2HG1 VAL 39 -3.946 -5.320 2.938 309 HG13 VAL 39 3HG1 VAL 39 -2.518 -6.211 3.469 310 HG21 VAL 39 1HG2 VAL 39 -4.337 -9.171 4.827 311 HG22 VAL 39 2HG2 VAL 39 -3.803 -7.809 5.815 312 HG23 VAL 39 3HG2 VAL 39 -2.745 -8.455 4.559 313 H LEU 40 H LEU 40 -6.564 -7.312 1.711 314 HA LEU 40 HA LEU 40 -6.572 -4.619 0.809 315 HB2 LEU 40 2HB LEU 40 -7.494 -5.473 -1.271 316 HB3 LEU 40 3HB LEU 40 -6.218 -6.519 -0.688 317 HG LEU 40 HG LEU 40 -8.349 -7.877 0.333 318 HD11 LEU 40 1HD1 LEU 40 -9.506 -6.655 -2.184 319 HD12 LEU 40 2HD1 LEU 40 -10.065 -6.376 -0.535 320 HD13 LEU 40 3HD1 LEU 40 -10.204 -7.979 -1.246 321 HD21 LEU 40 1HD2 LEU 40 -8.205 -9.404 -1.541 322 HD22 LEU 40 2HD2 LEU 40 -6.610 -8.839 -1.053 323 HD23 LEU 40 3HD2 LEU 40 -7.370 -8.177 -2.502 324 H ASP 41 H ASP 41 -8.992 -6.592 2.308 325 HA ASP 41 HA ASP 41 -11.278 -5.143 1.365 326 HB2 ASP 41 2HB ASP 41 -11.226 -7.621 2.073 327 HB3 ASP 41 3HB ASP 41 -11.274 -7.044 3.737 328 H GLN 42 H GLN 42 -9.276 -5.064 4.308 329 HA GLN 42 HA GLN 42 -10.897 -3.005 5.534 330 HB2 GLN 42 2HB GLN 42 -9.221 -2.862 7.265 331 HB3 GLN 42 3HB GLN 42 -9.485 -4.560 6.903 332 HG2 GLN 42 2HG GLN 42 -7.400 -4.613 5.595 333 HG3 GLN 42 3HG GLN 42 -7.129 -2.907 5.936 334 HE21 GLN 42 1HE2 GLN 42 -5.406 -5.137 6.535 335 HE22 GLN 42 2HE2 GLN 42 -5.183 -5.148 8.248 336 H VAL 43 H VAL 43 -8.095 -3.126 3.389 337 HA VAL 43 HA VAL 43 -7.279 -0.434 3.492 338 HB VAL 43 HB VAL 43 -7.034 -2.549 1.308 339 HG11 VAL 43 1HG1 VAL 43 -5.482 -1.085 0.064 340 HG12 VAL 43 2HG1 VAL 43 -5.843 0.243 1.171 341 HG13 VAL 43 3HG1 VAL 43 -7.106 -0.396 0.120 342 HG21 VAL 43 1HG2 VAL 43 -4.940 -1.252 3.094 343 HG22 VAL 43 2HG2 VAL 43 -4.638 -2.534 1.916 344 HG23 VAL 43 3HG2 VAL 43 -5.644 -2.852 3.332 345 H ARG 44 H ARG 44 -9.803 -2.001 1.484 346 HA ARG 44 HA ARG 44 -10.444 0.378 -0.004 347 HB2 ARG 44 2HB ARG 44 -12.370 -0.898 -0.901 348 HB3 ARG 44 3HB ARG 44 -10.869 -1.810 -1.011 349 HG2 ARG 44 2HG ARG 44 -11.529 -3.072 1.029 350 HG3 ARG 44 3HG ARG 44 -13.067 -2.212 1.036 351 HD2 ARG 44 2HD ARG 44 -12.120 -3.927 -1.284 352 HD3 ARG 44 3HD ARG 44 -13.108 -4.540 0.040 353 HE ARG 44 HE ARG 44 -14.019 -2.333 -1.708 354 HH11 ARG 44 1HH1 ARG 44 -14.633 -5.484 -0.209 355 HH12 ARG 44 2HH1 ARG 44 -16.269 -5.559 -0.783 356 HH21 ARG 44 1HH2 ARG 44 -16.162 -2.461 -2.438 357 HH22 ARG 44 2HH2 ARG 44 -17.139 -3.841 -2.049 358 H GLU 45 H GLU 45 -11.443 -0.859 3.096 359 HA GLU 45 HA GLU 45 -13.824 0.746 3.403 360 HB2 GLU 45 2HB GLU 45 -12.075 -0.703 5.434 361 HB3 GLU 45 3HB GLU 45 -13.566 0.137 5.862 362 HG2 GLU 45 2HG GLU 45 -14.860 -1.371 4.433 363 HG3 GLU 45 3HG GLU 45 -13.382 -2.180 3.917 364 H HIS 46 H HIS 46 -10.493 0.975 4.642 365 HA HIS 46 HA HIS 46 -10.812 3.532 5.882 366 HB2 HIS 46 2HB HIS 46 -8.327 1.901 5.221 367 HB3 HIS 46 3HB HIS 46 -8.272 3.429 6.091 368 HD1 HIS 46 HD1 HIS 46 -9.308 3.472 8.507 369 HD2 HIS 46 HD2 HIS 46 -9.121 -0.297 6.798 370 HE1 HIS 46 HE1 HIS 46 -9.701 1.857 10.380 371 HE2 HIS 46 HE2 HIS 46 -9.802 -0.393 9.265 372 H ALA 47 H ALA 47 -10.064 2.475 2.706 373 HA ALA 47 HA ALA 47 -8.918 4.689 1.461 374 HB1 ALA 47 1HB ALA 47 -10.980 2.725 0.407 375 HB2 ALA 47 2HB ALA 47 -9.227 2.523 0.368 376 HB3 ALA 47 3HB ALA 47 -9.985 3.796 -0.585 377 H ARG 48 H ARG 48 -12.295 3.880 2.091 378 HA ARG 48 HA ARG 48 -13.553 6.021 0.797 379 HB2 ARG 48 2HB ARG 48 -14.471 4.370 3.194 380 HB3 ARG 48 3HB ARG 48 -15.516 5.447 2.268 381 HG2 ARG 48 2HG ARG 48 -15.227 4.083 0.264 382 HG3 ARG 48 3HG ARG 48 -14.068 3.046 1.098 383 HD2 ARG 48 2HD ARG 48 -15.817 2.249 2.611 384 HD3 ARG 48 3HD ARG 48 -16.991 3.358 1.885 385 HE ARG 48 HE ARG 48 -16.077 1.866 -0.218 386 HH11 ARG 48 1HH1 ARG 48 -17.596 1.027 2.854 387 HH12 ARG 48 2HH1 ARG 48 -18.338 -0.409 2.226 388 HH21 ARG 48 1HH2 ARG 48 -17.077 -0.008 -1.021 389 HH22 ARG 48 2HH2 ARG 48 -18.042 -0.990 0.040 390 H GLU 49 H GLU 49 -12.155 5.707 4.012 391 HA GLU 49 HA GLU 49 -13.268 8.059 5.178 392 HB2 GLU 49 2HB GLU 49 -10.652 6.737 6.024 393 HB3 GLU 49 3HB GLU 49 -11.764 7.658 7.028 394 HG2 GLU 49 2HG GLU 49 -12.212 4.901 5.864 395 HG3 GLU 49 3HG GLU 49 -11.938 5.297 7.556 396 H LEU 50 H LEU 50 -10.151 7.341 3.617 397 HA LEU 50 HA LEU 50 -8.971 9.918 3.816 398 HB2 LEU 50 2HB LEU 50 -8.497 7.673 1.817 399 HB3 LEU 50 3HB LEU 50 -7.447 9.073 1.998 400 HG LEU 50 HG LEU 50 -7.966 7.057 4.224 401 HD11 LEU 50 1HD1 LEU 50 -6.833 5.972 2.342 402 HD12 LEU 50 2HD1 LEU 50 -5.775 6.123 3.741 403 HD13 LEU 50 3HD1 LEU 50 -5.580 7.216 2.366 404 HD21 LEU 50 1HD2 LEU 50 -7.277 9.264 5.038 405 HD22 LEU 50 2HD2 LEU 50 -5.868 9.237 3.976 406 HD23 LEU 50 3HD2 LEU 50 -6.006 8.070 5.294 407 H GLN 51 H GLN 51 -11.262 8.509 1.614 408 HA GLN 51 HA GLN 51 -11.100 10.537 -0.440 409 HB2 GLN 51 2HB GLN 51 -11.734 8.152 -0.890 410 HB3 GLN 51 3HB GLN 51 -13.205 8.377 0.047 411 HG2 GLN 51 2HG GLN 51 -13.980 10.059 -1.592 412 HG3 GLN 51 3HG GLN 51 -12.498 9.827 -2.520 413 HE21 GLN 51 1HE2 GLN 51 -12.222 7.885 -3.694 414 HE22 GLN 51 2HE2 GLN 51 -13.556 6.848 -4.058 415 H LYS 52 H LYS 52 -13.086 9.878 2.426 416 HA LYS 52 HA LYS 52 -15.076 11.899 2.057 417 HB2 LYS 52 2HB LYS 52 -14.037 10.511 4.568 418 HB3 LYS 52 3HB LYS 52 -15.387 11.643 4.586 419 HG2 LYS 52 2HG LYS 52 -16.750 10.182 3.252 420 HG3 LYS 52 3HG LYS 52 -15.383 9.117 2.915 421 HD2 LYS 52 2HD LYS 52 -15.261 8.554 5.350 422 HD3 LYS 52 3HD LYS 52 -16.689 9.554 5.631 423 HE2 LYS 52 2HE LYS 52 -18.032 8.074 4.225 424 HE3 LYS 52 3HE LYS 52 -16.603 7.115 3.826 425 HZ1 LYS 52 1HZ LYS 52 -17.951 6.095 5.565 426 HZ2 LYS 52 2HZ LYS 52 -17.727 7.439 6.561 427 HZ3 LYS 52 3HZ LYS 52 -16.409 6.475 6.127 428 H GLN 53 H GLN 53 -11.957 11.792 3.728 429 HA GLN 53 HA GLN 53 -11.830 14.481 4.627 430 HB2 GLN 53 2HB GLN 53 -9.581 12.547 3.870 431 HB3 GLN 53 3HB GLN 53 -9.353 14.066 4.737 432 HG2 GLN 53 2HG GLN 53 -10.543 13.252 6.661 433 HG3 GLN 53 3HG GLN 53 -11.093 11.822 5.791 434 HE21 GLN 53 1HE2 GLN 53 -8.318 13.346 7.325 435 HE22 GLN 53 2HE2 GLN 53 -7.374 11.905 7.443 436 H GLY 54 H GLY 54 -10.802 12.851 1.653 437 HA2 GLY 54 2HA GLY 54 -10.693 13.676 -0.500 438 HA3 GLY 54 3HA GLY 54 -10.977 15.308 0.091 439 H ILE 55 H ILE 55 -8.510 12.914 0.980 440 HA ILE 55 HA ILE 55 -6.347 14.819 0.685 441 HB ILE 55 HB ILE 55 -6.214 11.815 1.273 442 HG12 ILE 55 2HG1 ILE 55 -6.170 14.165 3.226 443 HG13 ILE 55 3HG1 ILE 55 -7.526 13.073 2.984 444 HG21 ILE 55 1HG2 ILE 55 -4.072 12.688 0.420 445 HG22 ILE 55 2HG2 ILE 55 -3.936 12.276 2.129 446 HG23 ILE 55 3HG2 ILE 55 -4.087 13.965 1.640 447 HD11 ILE 55 1HD1 ILE 55 -6.330 12.533 4.999 448 HD12 ILE 55 2HD1 ILE 55 -4.828 12.315 4.100 449 HD13 ILE 55 3HD1 ILE 55 -6.187 11.219 3.835 450 H HIS 56 H HIS 56 -5.832 15.341 -1.393 451 HA HIS 56 HA HIS 56 -5.906 13.382 -3.564 452 HB2 HIS 56 2HB HIS 56 -6.663 15.754 -3.908 453 HB3 HIS 56 3HB HIS 56 -5.047 16.322 -3.523 454 HD1 HIS 56 HD1 HIS 56 -7.156 15.481 -6.314 455 HD2 HIS 56 HD2 HIS 56 -3.062 15.367 -5.582 456 HE1 HIS 56 HE1 HIS 56 -6.061 15.423 -8.573 457 HE2 HIS 56 HE2 HIS 56 -3.595 15.305 -8.106 458 H PHE 57 H PHE 57 -4.165 11.982 -3.617 459 HA PHE 57 HA PHE 57 -1.441 13.044 -3.138 460 HB2 PHE 57 2HB PHE 57 -0.853 10.912 -1.946 461 HB3 PHE 57 3HB PHE 57 -2.046 11.872 -1.082 462 HD1 PHE 57 HD1 PHE 57 -1.485 8.742 -2.971 463 HD2 PHE 57 HD2 PHE 57 -4.341 11.072 -0.796 464 HE1 PHE 57 HE1 PHE 57 -3.002 6.813 -2.887 465 HE2 PHE 57 HE2 PHE 57 -5.854 9.130 -0.723 466 HZ PHE 57 HZ PHE 57 -5.178 7.017 -1.777 467 H GLU 58 H GLU 58 0.103 12.276 -4.502 468 HA GLU 58 HA GLU 58 -0.630 10.161 -6.451 469 HB2 GLU 58 2HB GLU 58 -0.405 12.370 -7.557 470 HB3 GLU 58 3HB GLU 58 1.214 12.560 -6.888 471 HG2 GLU 58 2HG GLU 58 2.001 10.628 -8.202 472 HG3 GLU 58 3HG GLU 58 0.374 10.367 -8.820 473 H VAL 59 H VAL 59 0.700 8.463 -6.532 474 HA VAL 59 HA VAL 59 2.893 8.073 -4.750 475 HB VAL 59 HB VAL 59 2.053 6.431 -7.200 476 HG11 VAL 59 1HG1 VAL 59 4.355 5.905 -6.494 477 HG12 VAL 59 2HG1 VAL 59 3.270 4.556 -6.158 478 HG13 VAL 59 3HG1 VAL 59 3.793 5.612 -4.846 479 HG21 VAL 59 1HG2 VAL 59 1.277 6.056 -4.282 480 HG22 VAL 59 2HG2 VAL 59 0.838 4.982 -5.614 481 HG23 VAL 59 3HG2 VAL 59 0.216 6.632 -5.569 482 H LYS 60 H LYS 60 4.599 9.380 -5.063 483 HA LYS 60 HA LYS 60 5.361 10.377 -7.688 484 HB2 LYS 60 2HB LYS 60 6.672 10.931 -4.987 485 HB3 LYS 60 3HB LYS 60 6.869 11.866 -6.467 486 HG2 LYS 60 2HG LYS 60 4.299 11.593 -4.888 487 HG3 LYS 60 3HG LYS 60 5.395 12.970 -4.819 488 HD2 LYS 60 2HD LYS 60 3.979 12.070 -7.359 489 HD3 LYS 60 3HD LYS 60 3.345 13.293 -6.259 490 HE2 LYS 60 2HE LYS 60 5.349 14.686 -6.647 491 HE3 LYS 60 3HE LYS 60 5.976 13.465 -7.759 492 HZ1 LYS 60 1HZ LYS 60 3.447 14.986 -8.111 493 HZ2 LYS 60 2HZ LYS 60 4.051 13.822 -9.177 494 HZ3 LYS 60 3HZ LYS 60 4.892 15.270 -8.945 495 H ARG 61 H ARG 61 6.826 8.472 -5.079 496 HA ARG 61 HA ARG 61 8.913 7.441 -6.888 497 HB2 ARG 61 2HB ARG 61 9.859 9.499 -5.971 498 HB3 ARG 61 3HB ARG 61 9.385 9.057 -4.336 499 HG2 ARG 61 2HG ARG 61 11.047 7.277 -4.282 500 HG3 ARG 61 3HG ARG 61 11.470 7.564 -5.974 501 HD2 ARG 61 2HD ARG 61 12.343 9.775 -5.431 502 HD3 ARG 61 3HD ARG 61 11.776 9.635 -3.766 503 HE ARG 61 HE ARG 61 13.432 7.913 -3.409 504 HH11 ARG 61 1HH1 ARG 61 13.924 9.841 -6.321 505 HH12 ARG 61 2HH1 ARG 61 15.619 9.472 -6.413 506 HH21 ARG 61 1HH2 ARG 61 15.655 7.443 -3.552 507 HH22 ARG 61 2HH2 ARG 61 16.589 8.125 -4.852 508 H VAL 62 H VAL 62 8.998 5.294 -6.568 509 HA VAL 62 HA VAL 62 8.273 4.123 -3.931 510 HB VAL 62 HB VAL 62 8.261 2.719 -6.656 511 HG11 VAL 62 1HG1 VAL 62 7.036 0.907 -5.490 512 HG12 VAL 62 2HG1 VAL 62 7.200 1.778 -3.963 513 HG13 VAL 62 3HG1 VAL 62 8.636 1.160 -4.782 514 HG21 VAL 62 1HG2 VAL 62 5.795 2.810 -6.544 515 HG22 VAL 62 2HG2 VAL 62 6.504 4.427 -6.595 516 HG23 VAL 62 3HG2 VAL 62 5.902 3.777 -5.070 517 H GLU 63 H GLU 63 9.966 3.306 -2.817 518 HA GLU 63 HA GLU 63 12.235 2.055 -4.251 519 HB2 GLU 63 2HB GLU 63 12.393 3.718 -1.690 520 HB3 GLU 63 3HB GLU 63 13.740 2.842 -2.417 521 HG2 GLU 63 2HG GLU 63 13.485 4.290 -4.463 522 HG3 GLU 63 3HG GLU 63 12.263 5.214 -3.592 523 H VAL 64 H VAL 64 11.925 -0.082 -3.899 524 HA VAL 64 HA VAL 64 10.714 -1.007 -1.373 525 HB VAL 64 HB VAL 64 9.621 -1.847 -3.393 526 HG11 VAL 64 1HG1 VAL 64 12.247 -3.130 -4.206 527 HG12 VAL 64 2HG1 VAL 64 11.466 -1.766 -5.005 528 HG13 VAL 64 3HG1 VAL 64 10.691 -3.351 -5.014 529 HG21 VAL 64 1HG2 VAL 64 11.131 -4.073 -1.987 530 HG22 VAL 64 2HG2 VAL 64 9.635 -4.266 -2.904 531 HG23 VAL 64 3HG2 VAL 64 9.646 -3.308 -1.422 532 H THR 65 H THR 65 11.939 -1.833 0.180 533 HA THR 65 HA THR 65 14.702 -2.775 -0.348 534 HB THR 65 HB THR 65 13.802 -0.936 1.932 535 HG1 THR 65 HG1 THR 65 14.414 -0.315 -0.544 536 HG21 THR 65 1HG2 THR 65 16.609 -1.870 1.211 537 HG22 THR 65 2HG2 THR 65 15.662 -2.474 2.577 538 HG23 THR 65 3HG2 THR 65 16.172 -0.785 2.527 539 H THR 66 H THR 66 15.342 -4.538 0.902 540 HA THR 66 HA THR 66 13.265 -5.963 2.386 541 HB THR 66 HB THR 66 15.030 -7.810 2.447 542 HG1 THR 66 HG1 THR 66 16.891 -6.517 2.147 543 HG21 THR 66 1HG2 THR 66 14.753 -8.436 0.093 544 HG22 THR 66 2HG2 THR 66 14.282 -6.784 -0.314 545 HG23 THR 66 3HG2 THR 66 13.247 -7.766 0.727 546 H ASP 67 H ASP 67 13.939 -7.092 4.403 547 HA ASP 67 HA ASP 67 15.755 -5.770 6.228 548 HB2 ASP 67 2HB ASP 67 13.738 -4.203 6.032 549 HB3 ASP 67 3HB ASP 67 12.732 -5.500 6.660 550 H GLY 68 H GLY 68 16.402 -8.066 6.145 551 HA2 GLY 68 2HA GLY 68 16.450 -10.255 6.832 552 HA3 GLY 68 3HA GLY 68 15.303 -9.806 8.088 553 H ASN 69 H ASN 69 13.436 -10.925 7.988 554 HA ASN 69 HA ASN 69 12.525 -12.196 5.500 555 HB2 ASN 69 2HB ASN 69 11.336 -12.292 8.318 556 HB3 ASN 69 3HB ASN 69 10.802 -13.264 6.946 557 HD21 ASN 69 1HD2 ASN 69 11.870 -14.096 9.551 558 HD22 ASN 69 2HD2 ASN 69 13.240 -15.090 9.208 559 H THR 70 H THR 70 12.083 -9.266 7.055 560 HA THR 70 HA THR 70 9.331 -8.754 6.145 561 HB THR 70 HB THR 70 11.123 -6.930 7.819 562 HG1 THR 70 HG1 THR 70 9.292 -8.907 8.757 563 HG21 THR 70 1HG2 THR 70 9.082 -5.875 6.883 564 HG22 THR 70 2HG2 THR 70 8.999 -6.012 8.641 565 HG23 THR 70 3HG2 THR 70 8.102 -7.145 7.629 566 H VAL 71 H VAL 71 8.913 -6.787 4.828 567 HA VAL 71 HA VAL 71 11.272 -5.620 3.425 568 HB VAL 71 HB VAL 71 8.623 -6.491 2.153 569 HG11 VAL 71 1HG1 VAL 71 9.317 -4.342 1.186 570 HG12 VAL 71 2HG1 VAL 71 9.523 -5.643 0.011 571 HG13 VAL 71 3HG1 VAL 71 10.928 -4.989 0.858 572 HG21 VAL 71 1HG2 VAL 71 10.209 -8.346 2.478 573 HG22 VAL 71 2HG2 VAL 71 11.466 -7.440 1.631 574 HG23 VAL 71 3HG2 VAL 71 10.025 -7.974 0.760 575 H ASN 72 H ASN 72 11.346 -3.469 3.704 576 HA ASN 72 HA ASN 72 8.923 -1.897 4.349 577 HB2 ASN 72 2HB ASN 72 11.900 -1.216 4.549 578 HB3 ASN 72 3HB ASN 72 10.608 -0.063 4.866 579 HD21 ASN 72 1HD2 ASN 72 12.221 -2.942 6.030 580 HD22 ASN 72 2HD2 ASN 72 11.573 -2.884 7.631 581 H VAL 73 H VAL 73 7.922 -1.191 2.528 582 HA VAL 73 HA VAL 73 9.459 -0.229 0.226 583 HB VAL 73 HB VAL 73 6.424 -0.296 0.605 584 HG11 VAL 73 1HG1 VAL 73 7.091 1.415 -1.031 585 HG12 VAL 73 2HG1 VAL 73 6.328 0.057 -1.859 586 HG13 VAL 73 3HG1 VAL 73 8.084 0.237 -1.895 587 HG21 VAL 73 1HG2 VAL 73 7.381 -2.564 0.597 588 HG22 VAL 73 2HG2 VAL 73 8.224 -2.218 -0.914 589 HG23 VAL 73 3HG2 VAL 73 6.459 -2.273 -0.882 590 H THR 74 H THR 74 10.382 1.659 0.642 591 HA THR 74 HA THR 74 9.129 3.812 2.141 592 HB THR 74 HB THR 74 11.775 3.803 0.607 593 HG1 THR 74 HG1 THR 74 12.446 2.529 2.114 594 HG21 THR 74 1HG2 THR 74 12.422 5.608 2.145 595 HG22 THR 74 2HG2 THR 74 10.844 5.534 2.929 596 HG23 THR 74 3HG2 THR 74 10.967 6.065 1.250 597 H VAL 75 H VAL 75 7.546 4.853 1.024 598 HA VAL 75 HA VAL 75 7.997 5.591 -1.807 599 HB VAL 75 HB VAL 75 6.471 3.743 -1.898 600 HG11 VAL 75 1HG1 VAL 75 5.744 3.693 0.442 601 HG12 VAL 75 2HG1 VAL 75 4.375 3.586 -0.664 602 HG13 VAL 75 3HG1 VAL 75 4.722 5.107 0.161 603 HG21 VAL 75 1HG2 VAL 75 4.441 4.739 -2.903 604 HG22 VAL 75 2HG2 VAL 75 5.911 5.560 -3.431 605 HG23 VAL 75 3HG2 VAL 75 4.877 6.307 -2.213 606 H GLU 76 H GLU 76 7.836 7.675 -2.176 607 HA GLU 76 HA GLU 76 6.762 9.557 -0.234 608 HB2 GLU 76 2HB GLU 76 8.897 10.048 -1.416 609 HB3 GLU 76 3HB GLU 76 8.050 10.018 -2.964 610 HG2 GLU 76 2HG GLU 76 6.608 11.924 -2.078 611 HG3 GLU 76 3HG GLU 76 7.705 12.023 -0.706 612 H LEU 77 H LEU 77 4.665 10.166 -0.312 613 HA LEU 77 HA LEU 77 3.219 10.288 -2.902 614 HB2 LEU 77 2HB LEU 77 2.010 9.937 -0.116 615 HB3 LEU 77 3HB LEU 77 1.108 10.109 -1.612 616 HG LEU 77 HG LEU 77 2.259 7.891 -2.368 617 HD11 LEU 77 1HD1 LEU 77 4.010 7.774 -0.680 618 HD12 LEU 77 2HD1 LEU 77 2.957 6.366 -0.591 619 HD13 LEU 77 3HD1 LEU 77 2.799 7.660 0.598 620 HD21 LEU 77 1HD2 LEU 77 0.571 6.528 -1.218 621 HD22 LEU 77 2HD2 LEU 77 -0.106 8.039 -1.813 622 HD23 LEU 77 3HD2 LEU 77 0.256 7.855 -0.096 623 H GLU 78 H GLU 78 2.765 12.328 -3.538 624 HA GLU 78 HA GLU 78 3.266 14.581 -1.718 625 HB2 GLU 78 2HB GLU 78 4.196 14.521 -4.072 626 HB3 GLU 78 3HB GLU 78 2.551 14.641 -4.680 627 HG2 GLU 78 2HG GLU 78 2.308 16.839 -3.626 628 HG3 GLU 78 3HG GLU 78 3.933 16.710 -2.953 629 H GLU 79 H GLU 79 1.584 15.162 -0.480 630 HA GLU 79 HA GLU 79 -1.181 14.642 -1.354 631 HB2 GLU 79 2HB GLU 79 -0.185 15.185 1.477 632 HB3 GLU 79 3HB GLU 79 -1.776 14.590 1.000 633 HG2 GLU 79 2HG GLU 79 -0.609 12.532 0.062 634 HG3 GLU 79 3HG GLU 79 0.871 13.117 0.822 635 H THR 80 H THR 80 -2.561 16.225 -1.653 636 HA THR 80 HA THR 80 -1.905 19.025 -1.003 637 HB THR 80 HB THR 80 -3.491 17.995 -3.413 638 HG1 THR 80 HG1 THR 80 -1.002 19.279 -3.647 639 HG21 THR 80 1HG2 THR 80 -3.324 20.319 -4.235 640 HG22 THR 80 2HG2 THR 80 -2.492 20.794 -2.756 641 HG23 THR 80 3HG2 THR 80 -4.175 20.266 -2.684 642 H THR 81 H THR 81 -3.268 19.723 0.495 643 HA THR 81 HA THR 81 -6.123 19.113 0.430 644 HB THR 81 HB THR 81 -5.240 17.397 1.953 645 HG1 THR 81 HG1 THR 81 -7.130 17.962 2.764 646 HG21 THR 81 1HG2 THR 81 -4.065 17.949 4.049 647 HG22 THR 81 2HG2 THR 81 -4.034 19.655 3.600 648 HG23 THR 81 3HG2 THR 81 -3.127 18.480 2.645 649 H GLY 82 H GLY 82 -7.342 20.855 0.993 650 HA2 GLY 82 2HA GLY 82 -7.877 23.056 1.334 651 HA3 GLY 82 3HA GLY 82 -6.648 23.048 2.588 652 H GLY 83 H GLY 83 -5.916 22.421 -0.788 653 HA2 GLY 83 2HA GLY 83 -4.953 23.773 -2.428 654 HA3 GLY 83 3HA GLY 83 -4.823 25.093 -1.280 655 H THR 84 H THR 84 -3.529 23.331 0.761 656 HA THR 84 HA THR 84 -0.845 24.031 -0.077 657 HB THR 84 HB THR 84 -0.225 23.492 2.290 658 HG1 THR 84 HG1 THR 84 -2.191 21.906 2.339 659 HG21 THR 84 1HG2 THR 84 -1.051 25.765 1.759 660 HG22 THR 84 2HG2 THR 84 -1.533 25.281 3.386 661 HG23 THR 84 3HG2 THR 84 -2.710 25.240 2.069 662 H THR 85 H THR 85 0.815 22.645 -0.511 663 HA THR 85 HA THR 85 0.190 19.752 -0.731 664 HB THR 85 HB THR 85 1.935 21.409 -2.613 665 HG1 THR 85 HG1 THR 85 -0.319 21.980 -2.727 666 HG21 THR 85 1HG2 THR 85 2.502 18.998 -2.590 667 HG22 THR 85 2HG2 THR 85 1.750 19.461 -4.116 668 HG23 THR 85 3HG2 THR 85 0.808 18.597 -2.903 669 H THR 86 H THR 86 1.603 18.405 0.261 670 HA THR 86 HA THR 86 4.407 19.147 0.693 671 HB THR 86 HB THR 86 2.575 18.185 2.951 672 HG1 THR 86 HG1 THR 86 3.440 20.687 2.134 673 HG21 THR 86 1HG2 THR 86 5.537 18.875 3.039 674 HG22 THR 86 2HG2 THR 86 4.870 17.246 3.160 675 HG23 THR 86 3HG2 THR 86 4.538 18.431 4.424 676 H ASN 87 H ASN 87 5.761 17.415 0.439 677 HA ASN 87 HA ASN 87 4.713 14.879 -0.493 678 HB2 ASN 87 2HB ASN 87 7.568 15.879 -0.107 679 HB3 ASN 87 3HB ASN 87 7.156 14.324 -0.826 680 HD21 ASN 87 1HD2 ASN 87 6.324 14.283 -2.943 681 HD22 ASN 87 2HD2 ASN 87 6.344 15.672 -3.972 682 H THR 88 H THR 88 3.936 13.574 1.033 683 HA THR 88 HA THR 88 5.235 13.210 3.649 684 HB THR 88 HB THR 88 2.512 12.217 2.681 685 HG1 THR 88 HG1 THR 88 1.729 14.091 3.178 686 HG21 THR 88 1HG2 THR 88 3.598 12.541 5.504 687 HG22 THR 88 2HG2 THR 88 3.380 11.005 4.660 688 HG23 THR 88 3HG2 THR 88 1.977 11.997 5.065 689 H THR 89 H THR 89 6.365 11.364 4.069 690 HA THR 89 HA THR 89 6.529 9.280 2.000 691 HB THR 89 HB THR 89 8.273 9.682 4.473 692 HG1 THR 89 HG1 THR 89 8.148 11.202 2.337 693 HG21 THR 89 1HG2 THR 89 8.403 7.373 3.592 694 HG22 THR 89 2HG2 THR 89 9.901 8.247 3.257 695 HG23 THR 89 3HG2 THR 89 8.719 8.004 1.970 696 H TYR 90 H TYR 90 5.397 7.434 2.264 697 HA TYR 90 HA TYR 90 4.612 6.504 4.960 698 HB2 TYR 90 2HB TYR 90 3.471 5.962 2.184 699 HB3 TYR 90 3HB TYR 90 3.013 5.006 3.588 700 HD1 TYR 90 HD1 TYR 90 2.960 8.505 2.222 701 HD2 TYR 90 HD2 TYR 90 1.345 5.787 5.090 702 HE1 TYR 90 HE1 TYR 90 1.227 10.152 2.805 703 HE2 TYR 90 HE2 TYR 90 -0.383 7.423 5.676 704 HH TYR 90 HH TYR 90 -0.965 10.271 3.848 705 H GLU 91 H GLU 91 5.663 4.792 5.771 706 HA GLU 91 HA GLU 91 7.305 3.008 4.079 707 HB2 GLU 91 2HB GLU 91 7.156 3.211 7.127 708 HB3 GLU 91 3HB GLU 91 8.290 2.224 6.211 709 HG2 GLU 91 2HG GLU 91 9.422 4.228 5.385 710 HG3 GLU 91 3HG GLU 91 8.223 5.261 6.172 711 H LEU 92 H LEU 92 5.953 1.399 3.308 712 HA LEU 92 HA LEU 92 3.987 0.158 5.124 713 HB2 LEU 92 2HB LEU 92 4.435 -0.163 2.133 714 HB3 LEU 92 3HB LEU 92 3.298 -1.128 3.060 715 HG LEU 92 HG LEU 92 2.142 1.072 3.720 716 HD11 LEU 92 1HD1 LEU 92 3.798 2.211 1.467 717 HD12 LEU 92 2HD1 LEU 92 3.923 2.630 3.177 718 HD13 LEU 92 3HD1 LEU 92 2.455 3.017 2.285 719 HD21 LEU 92 1HD2 LEU 92 0.848 1.213 1.643 720 HD22 LEU 92 2HD2 LEU 92 1.166 -0.462 2.092 721 HD23 LEU 92 3HD2 LEU 92 2.095 0.291 0.796 722 H ARG 93 H ARG 93 4.839 -1.296 6.401 723 HA ARG 93 HA ARG 93 7.214 -2.836 5.635 724 HB2 ARG 93 2HB ARG 93 7.156 -1.388 7.734 725 HB3 ARG 93 3HB ARG 93 5.973 -2.506 8.403 726 HG2 ARG 93 2HG ARG 93 7.572 -4.305 8.423 727 HG3 ARG 93 3HG ARG 93 8.733 -3.356 7.492 728 HD2 ARG 93 2HD ARG 93 8.770 -1.721 9.456 729 HD3 ARG 93 3HD ARG 93 7.872 -2.939 10.367 730 HE ARG 93 HE ARG 93 9.926 -4.410 9.615 731 HH11 ARG 93 1HH1 ARG 93 9.973 -1.098 10.835 732 HH12 ARG 93 2HH1 ARG 93 11.564 -1.246 11.513 733 HH21 ARG 93 1HH2 ARG 93 12.042 -4.553 10.461 734 HH22 ARG 93 2HH2 ARG 93 12.725 -3.195 11.300 735 H PHE 94 H PHE 94 6.566 -4.583 4.580 736 HA PHE 94 HA PHE 94 4.107 -6.005 5.139 737 HB2 PHE 94 2HB PHE 94 6.233 -6.246 2.958 738 HB3 PHE 94 3HB PHE 94 4.815 -7.284 3.040 739 HD1 PHE 94 HD1 PHE 94 6.051 -3.957 2.145 740 HD2 PHE 94 HD2 PHE 94 2.534 -6.330 2.692 741 HE1 PHE 94 HE1 PHE 94 4.730 -2.303 0.899 742 HE2 PHE 94 HE2 PHE 94 1.224 -4.668 1.444 743 HZ PHE 94 HZ PHE 94 2.321 -2.652 0.546 744 H GLU 95 H GLU 95 4.153 -7.492 6.723 745 HA GLU 95 HA GLU 95 6.487 -9.184 7.221 746 HB2 GLU 95 2HB GLU 95 5.182 -8.252 9.153 747 HB3 GLU 95 3HB GLU 95 3.786 -9.173 8.612 748 HG2 GLU 95 2HG GLU 95 5.177 -11.281 8.900 749 HG3 GLU 95 3HG GLU 95 6.403 -10.274 9.673 750 H VAL 96 H VAL 96 6.566 -11.324 6.720 751 HA VAL 96 HA VAL 96 4.614 -12.283 4.706 752 HB VAL 96 HB VAL 96 6.435 -13.579 3.736 753 HG11 VAL 96 1HG1 VAL 96 7.337 -10.738 4.349 754 HG12 VAL 96 2HG1 VAL 96 6.270 -11.243 3.035 755 HG13 VAL 96 3HG1 VAL 96 7.957 -11.754 3.042 756 HG21 VAL 96 1HG2 VAL 96 8.195 -12.606 6.031 757 HG22 VAL 96 2HG2 VAL 96 8.757 -13.519 4.627 758 HG23 VAL 96 3HG2 VAL 96 7.642 -14.261 5.772 759 H ASP 97 H ASP 97 3.812 -14.387 4.794 760 HA ASP 97 HA ASP 97 4.956 -16.291 6.746 761 HB2 ASP 97 2HB ASP 97 2.663 -15.612 7.493 762 HB3 ASP 97 3HB ASP 97 2.006 -16.116 5.937 763 H GLY 98 H GLY 98 6.213 -17.454 5.433 764 HA2 GLY 98 2HA GLY 98 6.802 -19.058 3.906 765 HA3 GLY 98 3HA GLY 98 5.137 -19.108 3.346 766 H ASP 99 H ASP 99 4.629 -18.081 1.499 767 HA ASP 99 HA ASP 99 6.692 -16.472 0.086 768 HB2 ASP 99 2HB ASP 99 4.633 -18.374 -1.140 769 HB3 ASP 99 3HB ASP 99 5.812 -17.419 -2.035 770 H THR 100 H THR 100 3.601 -16.440 1.432 771 HA THR 100 HA THR 100 2.670 -14.180 -0.255 772 HB THR 100 HB THR 100 1.089 -16.088 -0.248 773 HG1 THR 100 HG1 THR 100 0.302 -13.849 -0.201 774 HG21 THR 100 1HG2 THR 100 -0.083 -16.808 1.777 775 HG22 THR 100 2HG2 THR 100 0.863 -15.686 2.755 776 HG23 THR 100 3HG2 THR 100 1.655 -17.052 1.969 777 H ILE 101 H ILE 101 1.933 -12.310 0.785 778 HA ILE 101 HA ILE 101 3.143 -11.781 3.405 779 HB ILE 101 HB ILE 101 1.839 -9.832 1.447 780 HG12 ILE 101 2HG1 ILE 101 4.815 -10.416 1.802 781 HG13 ILE 101 3HG1 ILE 101 3.836 -10.996 0.461 782 HG21 ILE 101 1HG2 ILE 101 3.648 -9.304 3.828 783 HG22 ILE 101 2HG2 ILE 101 1.916 -8.975 3.747 784 HG23 ILE 101 3HG2 ILE 101 3.032 -8.083 2.714 785 HD11 ILE 101 1HD1 ILE 101 4.422 -8.099 1.081 786 HD12 ILE 101 2HD1 ILE 101 3.445 -8.699 -0.263 787 HD13 ILE 101 3HD1 ILE 101 5.163 -9.081 -0.183 788 H ARG 102 H ARG 102 1.897 -10.955 5.150 789 HA ARG 102 HA ARG 102 -1.020 -11.490 5.037 790 HB2 ARG 102 2HB ARG 102 0.930 -12.281 7.240 791 HB3 ARG 102 3HB ARG 102 -0.813 -12.507 7.312 792 HG2 ARG 102 2HG ARG 102 0.992 -13.805 5.245 793 HG3 ARG 102 3HG ARG 102 0.471 -14.574 6.746 794 HD2 ARG 102 2HD ARG 102 -1.888 -14.395 6.013 795 HD3 ARG 102 3HD ARG 102 -1.361 -13.625 4.517 796 HE ARG 102 HE ARG 102 -0.951 -15.676 3.670 797 HH11 ARG 102 1HH1 ARG 102 -0.904 -16.050 7.176 798 HH12 ARG 102 2HH1 ARG 102 -0.683 -17.767 7.107 799 HH21 ARG 102 1HH2 ARG 102 -0.608 -17.924 3.620 800 HH22 ARG 102 2HH2 ARG 102 -0.518 -18.819 5.101 801 H ARG 103 H ARG 103 1.550 -9.433 6.272 802 HA ARG 103 HA ARG 103 -0.476 -7.656 7.527 803 HB2 ARG 103 2HB ARG 103 2.295 -8.235 8.672 804 HB3 ARG 103 3HB ARG 103 1.239 -6.954 9.225 805 HG2 ARG 103 2HG ARG 103 1.007 -8.637 10.835 806 HG3 ARG 103 3HG ARG 103 -0.439 -8.783 9.837 807 HD2 ARG 103 2HD ARG 103 0.563 -10.697 8.646 808 HD3 ARG 103 3HD ARG 103 2.041 -10.523 9.589 809 HE ARG 103 HE ARG 103 1.014 -11.497 11.399 810 HH11 ARG 103 1HH1 ARG 103 -1.425 -10.939 8.912 811 HH12 ARG 103 2HH1 ARG 103 -2.615 -11.919 9.701 812 HH21 ARG 103 1HH2 ARG 103 -0.524 -12.807 12.379 813 HH22 ARG 103 2HH2 ARG 103 -2.105 -12.986 11.674 814 H VAL 104 H VAL 104 0.046 -5.441 7.539 815 HA VAL 104 HA VAL 104 2.421 -4.473 6.156 816 HB VAL 104 HB VAL 104 0.877 -4.623 4.289 817 HG11 VAL 104 1HG1 VAL 104 -1.301 -3.488 4.183 818 HG12 VAL 104 2HG1 VAL 104 -1.137 -3.003 5.872 819 HG13 VAL 104 3HG1 VAL 104 -1.266 -4.712 5.456 820 HG21 VAL 104 1HG2 VAL 104 1.110 -1.730 5.182 821 HG22 VAL 104 2HG2 VAL 104 0.809 -2.275 3.529 822 HG23 VAL 104 3HG2 VAL 104 2.338 -2.660 4.321 823 H THR 105 H THR 105 3.259 -3.247 7.744 824 HA THR 105 HA THR 105 1.600 -1.609 9.518 825 HB THR 105 HB THR 105 4.636 -1.993 9.478 826 HG1 THR 105 HG1 THR 105 2.571 -3.341 10.879 827 HG21 THR 105 1HG2 THR 105 3.971 0.076 10.655 828 HG22 THR 105 2HG2 THR 105 4.574 -1.136 11.786 829 HG23 THR 105 3HG2 THR 105 2.840 -0.853 11.649 830 H VAL 106 H VAL 106 0.950 0.245 8.538 831 HA VAL 106 HA VAL 106 2.690 1.637 6.626 832 HB VAL 106 HB VAL 106 -0.206 2.256 7.380 833 HG11 VAL 106 1HG1 VAL 106 1.437 3.235 5.015 834 HG12 VAL 106 2HG1 VAL 106 1.045 4.191 6.448 835 HG13 VAL 106 3HG1 VAL 106 -0.238 3.642 5.379 836 HG21 VAL 106 1HG2 VAL 106 0.846 0.702 4.982 837 HG22 VAL 106 2HG2 VAL 106 -0.837 1.161 5.254 838 HG23 VAL 106 3HG2 VAL 106 -0.046 0.022 6.346 839 H THR 107 H THR 107 4.149 2.882 7.652 840 HA THR 107 HA THR 107 3.404 4.553 9.956 841 HB THR 107 HB THR 107 6.165 3.986 8.767 842 HG1 THR 107 HG1 THR 107 6.239 2.299 10.060 843 HG21 THR 107 1HG2 THR 107 5.382 5.251 11.431 844 HG22 THR 107 2HG2 THR 107 6.109 6.099 10.061 845 HG23 THR 107 3HG2 THR 107 7.024 4.858 10.919 846 H GLN 108 H GLN 108 2.660 6.510 9.407 847 HA GLN 108 HA GLN 108 3.352 7.892 6.958 848 HB2 GLN 108 2HB GLN 108 1.078 8.034 8.037 849 HB3 GLN 108 3HB GLN 108 1.806 8.881 9.399 850 HG2 GLN 108 2HG GLN 108 2.505 10.705 7.852 851 HG3 GLN 108 3HG GLN 108 1.688 9.867 6.531 852 HE21 GLN 108 1HE2 GLN 108 1.156 12.532 7.563 853 HE22 GLN 108 2HE2 GLN 108 -0.489 12.531 8.085 854 H ASN 109 H ASN 109 4.994 9.333 6.737 855 HA ASN 109 HA ASN 109 6.419 10.374 9.121 856 HB2 ASN 109 2HB ASN 109 7.772 9.258 6.610 857 HB3 ASN 109 3HB ASN 109 8.594 10.022 7.966 858 HD21 ASN 109 1HD2 ASN 109 6.935 7.167 6.876 859 HD22 ASN 109 2HD2 ASN 109 7.450 6.143 8.170 860 H GLY 110 H GLY 110 7.353 12.371 8.864 861 HA2 GLY 110 2HA GLY 110 7.542 13.911 6.505 862 HA3 GLY 110 3HA GLY 110 6.009 14.278 7.298 863 H GLY 111 H GLY 111 7.627 13.520 9.897 864 HA2 GLY 111 2HA GLY 111 9.131 14.509 11.355 865 HA3 GLY 111 3HA GLY 111 9.429 15.795 10.195 866 H SER 112 H SER 112 8.891 15.979 13.053 867 HA SER 112 HA SER 112 6.274 17.310 13.219 868 HB2 SER 112 2HB SER 112 8.366 16.747 15.379 869 HB3 SER 112 3HB SER 112 6.770 17.446 15.651 870 HG SER 112 HG SER 112 7.047 14.960 14.346 871 H LEU 113 H LEU 113 6.739 19.058 11.821 872 HA LEU 113 HA LEU 113 8.739 21.053 12.628 873 HB2 LEU 113 2HB LEU 113 6.799 21.088 10.265 874 HB3 LEU 113 3HB LEU 113 8.011 22.309 10.595 875 HG LEU 113 HG LEU 113 8.988 21.058 8.881 876 HD11 LEU 113 1HD1 LEU 113 10.132 19.774 11.363 877 HD12 LEU 113 2HD1 LEU 113 10.567 21.356 10.713 878 HD13 LEU 113 3HD1 LEU 113 10.906 19.901 9.781 879 HD21 LEU 113 1HD2 LEU 113 8.115 18.478 10.204 880 HD22 LEU 113 2HD2 LEU 113 9.015 18.616 8.689 881 HD23 LEU 113 3HD2 LEU 113 7.369 19.235 8.797 882 H GLU 114 H GLU 114 5.795 20.337 13.803 883 HA GLU 114 HA GLU 114 4.332 22.779 13.702 884 HB2 GLU 114 2HB GLU 114 4.155 20.585 15.820 885 HB3 GLU 114 3HB GLU 114 2.934 21.804 15.482 886 HG2 GLU 114 2HG GLU 114 3.788 19.603 13.577 887 HG3 GLU 114 3HG GLU 114 2.337 19.581 14.577 888 H HIS 115 H HIS 115 5.563 24.526 14.292 889 HA HIS 115 HA HIS 115 5.790 25.343 16.965 890 HB2 HIS 115 2HB HIS 115 8.335 25.513 17.141 891 HB3 HIS 115 3HB HIS 115 7.701 23.878 17.274 892 HD1 HIS 115 HD1 HIS 115 9.142 26.087 14.494 893 HD2 HIS 115 HD2 HIS 115 9.049 22.110 15.709 894 HE1 HIS 115 HE1 HIS 115 10.573 24.847 12.849 895 HE2 HIS 115 HE2 HIS 115 10.648 22.495 13.719 896 H HIS 116 H HIS 116 6.659 27.553 17.121 897 HA HIS 116 HA HIS 116 7.105 28.909 14.511 898 HB2 HIS 116 2HB HIS 116 5.828 30.048 17.039 899 HB3 HIS 116 3HB HIS 116 6.192 30.972 15.587 900 HD1 HIS 116 HD1 HIS 116 3.464 29.322 17.174 901 HD2 HIS 116 HD2 HIS 116 4.696 29.789 13.230 902 HE1 HIS 116 HE1 HIS 116 1.425 28.892 15.773 903 HE2 HIS 116 HE2 HIS 116 2.216 29.112 13.398 904 H HIS 117 H HIS 117 7.620 29.869 17.932 905 HA HIS 117 HA HIS 117 10.427 30.549 17.331 906 HB2 HIS 117 2HB HIS 117 10.373 31.847 19.452 907 HB3 HIS 117 3HB HIS 117 9.110 32.350 18.339 908 HD1 HIS 117 HD1 HIS 117 9.658 30.792 21.686 909 HD2 HIS 117 HD2 HIS 117 6.466 31.895 19.264 910 HE1 HIS 117 HE1 HIS 117 7.625 30.727 23.165 911 HE2 HIS 117 HE2 HIS 117 5.751 31.565 21.713 912 H HIS 118 H HIS 118 9.906 27.888 17.379 913 HA HIS 118 HA HIS 118 10.764 25.922 18.008 914 HB2 HIS 118 2HB HIS 118 12.889 27.216 18.191 915 HB3 HIS 118 3HB HIS 118 12.534 27.556 19.879 916 HD1 HIS 118 HD1 HIS 118 13.464 24.713 17.577 917 HD2 HIS 118 HD2 HIS 118 13.364 25.551 21.640 918 HE1 HIS 118 HE1 HIS 118 14.604 22.785 18.688 919 HE2 HIS 118 HE2 HIS 118 14.552 23.318 21.139 920 H HIS 119 H HIS 119 8.388 26.053 18.969 921 HA HIS 119 HA HIS 119 8.241 25.502 21.820 922 HB2 HIS 119 2HB HIS 119 6.316 26.414 20.404 923 HB3 HIS 119 3HB HIS 119 6.137 24.812 19.707 924 HD1 HIS 119 HD1 HIS 119 5.286 22.921 21.381 925 HD2 HIS 119 HD2 HIS 119 5.166 26.781 22.903 926 HE1 HIS 119 HE1 HIS 119 3.778 22.809 23.380 927 HE2 HIS 119 HE2 HIS 119 3.879 25.112 24.376 928 H HIS 120 H HIS 120 9.109 23.804 19.028 929 HA HIS 120 HA HIS 120 9.407 21.274 20.497 930 HB2 HIS 120 2HB HIS 120 7.524 20.951 18.926 931 HB3 HIS 120 3HB HIS 120 8.487 21.577 17.594 932 HD1 HIS 120 HD1 HIS 120 10.401 20.022 16.688 933 HD2 HIS 120 HD2 HIS 120 7.934 18.245 19.527 934 HE1 HIS 120 HE1 HIS 120 10.860 17.562 16.536 935 HE2 HIS 120 HE2 HIS 120 9.320 16.504 18.224 Start of MODEL 11 1 H1 MET 1 1H MET 1 3.808 -15.160 -11.049 2 H2 MET 1 2H MET 1 4.192 -13.897 -12.105 3 H3 MET 1 3H MET 1 3.292 -13.587 -10.704 4 HA MET 1 HA MET 1 6.085 -14.543 -10.791 5 HB2 MET 1 2HB MET 1 6.696 -12.287 -9.963 6 HB3 MET 1 3HB MET 1 5.875 -12.183 -11.514 7 HG2 MET 1 2HG MET 1 3.788 -11.532 -10.369 8 HG3 MET 1 3HG MET 1 4.619 -11.628 -8.814 9 HE1 MET 1 1HE MET 1 3.006 -9.041 -9.647 10 HE2 MET 1 2HE MET 1 4.145 -7.761 -9.233 11 HE3 MET 1 3HE MET 1 3.934 -9.133 -8.146 12 H GLN 2 H GLN 2 6.869 -15.301 -8.868 13 HA GLN 2 HA GLN 2 5.204 -15.105 -6.419 14 HB2 GLN 2 2HB GLN 2 6.467 -17.010 -5.556 15 HB3 GLN 2 3HB GLN 2 5.798 -17.408 -7.136 16 HG2 GLN 2 2HG GLN 2 7.998 -17.045 -8.176 17 HG3 GLN 2 3HG GLN 2 8.676 -16.597 -6.610 18 HE21 GLN 2 1HE2 GLN 2 10.207 -18.268 -6.705 19 HE22 GLN 2 2HE2 GLN 2 9.780 -19.927 -6.483 20 H ASP 3 H ASP 3 7.414 -13.292 -7.829 21 HA ASP 3 HA ASP 3 9.582 -12.939 -6.072 22 HB2 ASP 3 2HB ASP 3 8.206 -10.897 -7.882 23 HB3 ASP 3 3HB ASP 3 9.771 -10.652 -7.110 24 H ILE 4 H ILE 4 9.457 -12.452 -4.008 25 HA ILE 4 HA ILE 4 7.127 -11.498 -2.684 26 HB ILE 4 HB ILE 4 9.975 -11.901 -1.679 27 HG12 ILE 4 2HG1 ILE 4 8.875 -13.996 -2.424 28 HG13 ILE 4 3HG1 ILE 4 9.115 -14.009 -0.681 29 HG21 ILE 4 1HG2 ILE 4 7.497 -11.337 -0.005 30 HG22 ILE 4 2HG2 ILE 4 8.895 -10.280 -0.205 31 HG23 ILE 4 3HG2 ILE 4 9.073 -11.820 0.631 32 HD11 ILE 4 1HD1 ILE 4 6.522 -13.476 -2.129 33 HD12 ILE 4 2HD1 ILE 4 6.739 -13.443 -0.375 34 HD13 ILE 4 3HD1 ILE 4 6.978 -14.943 -1.267 35 H VAL 5 H VAL 5 10.264 -10.006 -3.445 36 HA VAL 5 HA VAL 5 9.890 -7.514 -2.155 37 HB VAL 5 HB VAL 5 11.668 -8.224 -4.541 38 HG11 VAL 5 1HG1 VAL 5 11.867 -5.842 -2.660 39 HG12 VAL 5 2HG1 VAL 5 11.411 -5.785 -4.364 40 HG13 VAL 5 3HG1 VAL 5 13.047 -6.264 -3.907 41 HG21 VAL 5 1HG2 VAL 5 12.123 -9.644 -2.572 42 HG22 VAL 5 2HG2 VAL 5 12.332 -8.206 -1.567 43 HG23 VAL 5 3HG2 VAL 5 13.472 -8.543 -2.872 44 H GLU 6 H GLU 6 9.374 -8.577 -5.514 45 HA GLU 6 HA GLU 6 8.405 -6.110 -6.540 46 HB2 GLU 6 2HB GLU 6 9.350 -7.945 -7.950 47 HB3 GLU 6 3HB GLU 6 7.952 -8.939 -7.580 48 HG2 GLU 6 2HG GLU 6 7.748 -7.994 -9.813 49 HG3 GLU 6 3HG GLU 6 6.490 -7.341 -8.762 50 H ALA 7 H ALA 7 6.851 -8.885 -4.985 51 HA ALA 7 HA ALA 7 4.142 -8.216 -5.478 52 HB1 ALA 7 1HB ALA 7 4.826 -10.462 -4.724 53 HB2 ALA 7 2HB ALA 7 3.618 -9.775 -3.635 54 HB3 ALA 7 3HB ALA 7 5.321 -9.801 -3.163 55 H ALA 8 H ALA 8 6.347 -7.484 -2.783 56 HA ALA 8 HA ALA 8 4.537 -6.131 -1.095 57 HB1 ALA 8 1HB ALA 8 6.547 -5.276 0.044 58 HB2 ALA 8 2HB ALA 8 7.551 -5.804 -1.310 59 HB3 ALA 8 3HB ALA 8 6.708 -6.997 -0.320 60 H LYS 9 H LYS 9 6.729 -5.007 -3.627 61 HA LYS 9 HA LYS 9 6.392 -2.239 -3.476 62 HB2 LYS 9 2HB LYS 9 8.167 -3.208 -4.811 63 HB3 LYS 9 3HB LYS 9 7.011 -4.101 -5.796 64 HG2 LYS 9 2HG LYS 9 6.137 -1.810 -6.582 65 HG3 LYS 9 3HG LYS 9 7.589 -1.120 -5.840 66 HD2 LYS 9 2HD LYS 9 9.035 -2.296 -7.343 67 HD3 LYS 9 3HD LYS 9 7.746 -3.387 -7.860 68 HE2 LYS 9 2HE LYS 9 6.589 -1.310 -8.831 69 HE3 LYS 9 3HE LYS 9 8.124 -0.472 -8.584 70 HZ1 LYS 9 1HZ LYS 9 7.793 -2.963 -10.164 71 HZ2 LYS 9 2HZ LYS 9 9.201 -2.038 -10.016 72 HZ3 LYS 9 3HZ LYS 9 7.861 -1.406 -10.830 73 H GLN 10 H GLN 10 4.747 -4.572 -5.649 74 HA GLN 10 HA GLN 10 2.928 -2.782 -6.844 75 HB2 GLN 10 2HB GLN 10 2.798 -5.811 -6.515 76 HB3 GLN 10 3HB GLN 10 1.674 -4.894 -7.517 77 HG2 GLN 10 2HG GLN 10 4.678 -5.092 -7.927 78 HG3 GLN 10 3HG GLN 10 3.442 -5.931 -8.866 79 HE21 GLN 10 1HE2 GLN 10 2.120 -4.707 -10.274 80 HE22 GLN 10 2HE2 GLN 10 2.588 -3.143 -10.834 81 H ALA 11 H ALA 11 2.794 -4.636 -3.901 82 HA ALA 11 HA ALA 11 0.031 -4.490 -3.353 83 HB1 ALA 11 1HB ALA 11 2.354 -4.828 -1.423 84 HB2 ALA 11 2HB ALA 11 1.513 -6.131 -2.266 85 HB3 ALA 11 3HB ALA 11 0.658 -5.157 -1.066 86 H ALA 12 H ALA 12 2.819 -2.495 -2.368 87 HA ALA 12 HA ALA 12 1.527 -0.673 -0.679 88 HB1 ALA 12 1HB ALA 12 3.957 -0.194 -2.447 89 HB2 ALA 12 2HB ALA 12 3.979 -0.878 -0.819 90 HB3 ALA 12 3HB ALA 12 3.471 0.795 -1.069 91 H ILE 13 H ILE 13 2.254 -0.472 -4.154 92 HA ILE 13 HA ILE 13 1.143 2.032 -4.742 93 HB ILE 13 HB ILE 13 1.370 -0.409 -6.577 94 HG12 ILE 13 2HG1 ILE 13 3.363 1.884 -6.192 95 HG13 ILE 13 3HG1 ILE 13 3.544 0.270 -5.518 96 HG21 ILE 13 1HG2 ILE 13 1.090 2.528 -7.337 97 HG22 ILE 13 2HG2 ILE 13 -0.140 1.281 -7.542 98 HG23 ILE 13 3HG2 ILE 13 1.357 1.194 -8.468 99 HD11 ILE 13 1HD1 ILE 13 4.925 0.549 -7.480 100 HD12 ILE 13 2HD1 ILE 13 3.517 0.963 -8.458 101 HD13 ILE 13 3HD1 ILE 13 3.678 -0.661 -7.781 102 H ALA 14 H ALA 14 -0.291 -1.228 -4.773 103 HA ALA 14 HA ALA 14 -2.827 -0.561 -5.852 104 HB1 ALA 14 1HB ALA 14 -3.493 -2.822 -5.144 105 HB2 ALA 14 2HB ALA 14 -2.018 -2.959 -4.183 106 HB3 ALA 14 3HB ALA 14 -1.916 -2.833 -5.941 107 H ILE 15 H ILE 15 -1.590 -0.604 -2.551 108 HA ILE 15 HA ILE 15 -4.055 -0.378 -1.165 109 HB ILE 15 HB ILE 15 -1.188 0.334 -0.420 110 HG12 ILE 15 2HG1 ILE 15 -3.094 -1.827 0.596 111 HG13 ILE 15 3HG1 ILE 15 -1.810 -2.071 -0.579 112 HG21 ILE 15 1HG2 ILE 15 -1.883 0.750 1.920 113 HG22 ILE 15 2HG2 ILE 15 -3.578 0.641 1.437 114 HG23 ILE 15 3HG2 ILE 15 -2.564 1.949 0.822 115 HD11 ILE 15 1HD1 ILE 15 -1.449 -1.323 2.320 116 HD12 ILE 15 2HD1 ILE 15 -0.148 -1.518 1.141 117 HD13 ILE 15 3HD1 ILE 15 -1.155 -2.896 1.580 118 H PHE 16 H PHE 16 -1.824 2.049 -2.528 119 HA PHE 16 HA PHE 16 -3.361 4.322 -1.651 120 HB2 PHE 16 2HB PHE 16 -1.212 4.172 -3.807 121 HB3 PHE 16 3HB PHE 16 -1.852 5.655 -3.098 122 HD1 PHE 16 HD1 PHE 16 -1.836 5.482 -0.325 123 HD2 PHE 16 HD2 PHE 16 0.912 3.608 -3.018 124 HE1 PHE 16 HE1 PHE 16 -0.143 5.398 1.452 125 HE2 PHE 16 HE2 PHE 16 2.580 3.522 -1.239 126 HZ PHE 16 HZ PHE 16 2.072 4.418 0.992 127 H GLN 17 H GLN 17 -3.299 2.315 -4.549 128 HA GLN 17 HA GLN 17 -4.930 3.940 -6.215 129 HB2 GLN 17 2HB GLN 17 -4.405 0.939 -6.243 130 HB3 GLN 17 3HB GLN 17 -5.358 1.764 -7.477 131 HG2 GLN 17 2HG GLN 17 -3.398 3.131 -8.083 132 HG3 GLN 17 3HG GLN 17 -2.440 2.319 -6.847 133 HE21 GLN 17 1HE2 GLN 17 -1.809 0.146 -7.209 134 HE22 GLN 17 2HE2 GLN 17 -1.857 -0.575 -8.772 135 H LEU 18 H LEU 18 -5.661 1.408 -3.817 136 HA LEU 18 HA LEU 18 -8.503 1.574 -4.165 137 HB2 LEU 18 2HB LEU 18 -6.816 0.436 -1.924 138 HB3 LEU 18 3HB LEU 18 -8.572 0.437 -1.867 139 HG LEU 18 HG LEU 18 -6.826 -1.045 -3.872 140 HD11 LEU 18 1HD1 LEU 18 -8.650 -2.091 -1.688 141 HD12 LEU 18 2HD1 LEU 18 -6.883 -2.087 -1.668 142 HD13 LEU 18 3HD1 LEU 18 -7.742 -3.065 -2.852 143 HD21 LEU 18 1HD2 LEU 18 -8.841 -0.234 -5.010 144 HD22 LEU 18 2HD2 LEU 18 -9.863 -0.933 -3.750 145 HD23 LEU 18 3HD2 LEU 18 -8.904 -1.981 -4.802 146 H TRP 19 H TRP 19 -6.144 3.217 -2.064 147 HA TRP 19 HA TRP 19 -8.009 4.369 -0.284 148 HB2 TRP 19 2HB TRP 19 -5.107 4.909 -0.870 149 HB3 TRP 19 3HB TRP 19 -5.995 6.066 0.111 150 HD1 TRP 19 HD1 TRP 19 -7.493 2.902 1.043 151 HE1 TRP 19 HE1 TRP 19 -6.434 1.934 3.165 152 HE3 TRP 19 HE3 TRP 19 -3.283 5.790 1.246 153 HZ2 TRP 19 HZ2 TRP 19 -4.151 2.337 4.730 154 HZ3 TRP 19 HZ3 TRP 19 -1.714 5.443 3.112 155 HH2 TRP 19 HH2 TRP 19 -2.146 3.747 4.821 156 H LYS 20 H LYS 20 -7.128 5.356 -3.476 157 HA LYS 20 HA LYS 20 -8.695 7.842 -3.169 158 HB2 LYS 20 2HB LYS 20 -7.821 8.450 -5.427 159 HB3 LYS 20 3HB LYS 20 -6.569 8.243 -4.204 160 HG2 LYS 20 2HG LYS 20 -6.065 5.994 -5.113 161 HG3 LYS 20 3HG LYS 20 -7.287 6.236 -6.368 162 HD2 LYS 20 2HD LYS 20 -6.003 8.138 -7.282 163 HD3 LYS 20 3HD LYS 20 -4.812 7.989 -5.987 164 HE2 LYS 20 2HE LYS 20 -4.105 5.818 -6.833 165 HE3 LYS 20 3HE LYS 20 -5.391 5.828 -8.039 166 HZ1 LYS 20 1HZ LYS 20 -3.306 6.429 -9.032 167 HZ2 LYS 20 2HZ LYS 20 -3.089 7.694 -7.928 168 HZ3 LYS 20 3HZ LYS 20 -4.345 7.762 -9.055 169 H ASN 21 H ASN 21 -8.855 4.635 -4.565 170 HA ASN 21 HA ASN 21 -11.655 5.091 -5.314 171 HB2 ASN 21 2HB ASN 21 -10.504 5.484 -7.454 172 HB3 ASN 21 3HB ASN 21 -9.630 3.963 -7.295 173 HD21 ASN 21 1HD2 ASN 21 -10.432 2.966 -9.097 174 HD22 ASN 21 2HD2 ASN 21 -12.087 2.558 -9.341 175 HA PRO 22 HA PRO 22 -11.152 1.220 -2.806 176 HB2 PRO 22 2HB PRO 22 -13.819 1.044 -2.055 177 HB3 PRO 22 3HB PRO 22 -12.651 2.119 -1.254 178 HG2 PRO 22 2HG PRO 22 -14.601 2.789 -3.458 179 HG3 PRO 22 3HG PRO 22 -14.309 3.646 -1.920 180 HD2 PRO 22 2HD PRO 22 -13.189 4.542 -4.179 181 HD3 PRO 22 3HD PRO 22 -12.246 4.543 -2.668 182 H THR 23 H THR 23 -13.390 1.872 -5.417 183 HA THR 23 HA THR 23 -14.125 -0.943 -5.787 184 HB THR 23 HB THR 23 -15.688 0.082 -7.552 185 HG1 THR 23 HG1 THR 23 -14.515 2.074 -7.792 186 HG21 THR 23 1HG2 THR 23 -16.497 -0.510 -5.286 187 HG22 THR 23 2HG2 THR 23 -17.287 0.950 -5.883 188 HG23 THR 23 3HG2 THR 23 -15.993 1.077 -4.691 189 H ASP 24 H ASP 24 -11.374 0.281 -6.452 190 HA ASP 24 HA ASP 24 -11.103 -0.080 -9.300 191 HB2 ASP 24 2HB ASP 24 -9.586 1.413 -7.896 192 HB3 ASP 24 3HB ASP 24 -8.855 -0.049 -7.241 193 HA PRO 25 HA PRO 25 -11.374 -4.555 -8.660 194 HB2 PRO 25 2HB PRO 25 -11.213 -5.356 -11.288 195 HB3 PRO 25 3HB PRO 25 -12.669 -4.591 -10.611 196 HG2 PRO 25 2HG PRO 25 -10.454 -3.329 -12.215 197 HG3 PRO 25 3HG PRO 25 -12.216 -3.150 -12.400 198 HD2 PRO 25 2HD PRO 25 -10.734 -1.285 -11.099 199 HD3 PRO 25 3HD PRO 25 -12.395 -1.664 -10.594 200 H GLU 26 H GLU 26 -8.757 -3.077 -10.537 201 HA GLU 26 HA GLU 26 -7.136 -5.417 -10.843 202 HB2 GLU 26 2HB GLU 26 -6.476 -2.455 -11.130 203 HB3 GLU 26 3HB GLU 26 -5.365 -3.757 -11.566 204 HG2 GLU 26 2HG GLU 26 -6.932 -4.557 -13.268 205 HG3 GLU 26 3HG GLU 26 -8.095 -3.303 -12.812 206 H ALA 27 H ALA 27 -6.994 -2.576 -8.715 207 HA ALA 27 HA ALA 27 -4.590 -3.123 -7.389 208 HB1 ALA 27 1HB ALA 27 -5.669 -0.908 -7.390 209 HB2 ALA 27 2HB ALA 27 -5.336 -1.443 -5.742 210 HB3 ALA 27 3HB ALA 27 -6.979 -1.532 -6.384 211 H GLN 28 H GLN 28 -7.959 -3.769 -6.364 212 HA GLN 28 HA GLN 28 -7.256 -4.988 -3.886 213 HB2 GLN 28 2HB GLN 28 -9.632 -5.560 -3.700 214 HB3 GLN 28 3HB GLN 28 -9.443 -3.901 -4.258 215 HG2 GLN 28 2HG GLN 28 -9.840 -4.765 -6.614 216 HG3 GLN 28 3HG GLN 28 -10.272 -6.315 -5.897 217 HE21 GLN 28 1HE2 GLN 28 -11.085 -3.099 -4.600 218 HE22 GLN 28 2HE2 GLN 28 -12.788 -3.267 -4.820 219 H GLU 29 H GLU 29 -7.736 -6.282 -7.153 220 HA GLU 29 HA GLU 29 -8.060 -9.018 -6.391 221 HB2 GLU 29 2HB GLU 29 -8.849 -8.181 -8.583 222 HB3 GLU 29 3HB GLU 29 -7.186 -7.878 -9.087 223 HG2 GLU 29 2HG GLU 29 -6.684 -10.275 -8.995 224 HG3 GLU 29 3HG GLU 29 -8.294 -10.614 -8.361 225 H LEU 30 H LEU 30 -5.208 -7.091 -7.450 226 HA LEU 30 HA LEU 30 -3.438 -9.326 -7.430 227 HB2 LEU 30 2HB LEU 30 -1.626 -7.809 -7.786 228 HB3 LEU 30 3HB LEU 30 -2.987 -7.263 -8.736 229 HG LEU 30 HG LEU 30 -3.325 -5.582 -6.654 230 HD11 LEU 30 1HD1 LEU 30 -1.534 -6.445 -5.252 231 HD12 LEU 30 2HD1 LEU 30 -1.192 -4.785 -5.727 232 HD13 LEU 30 3HD1 LEU 30 -0.343 -6.116 -6.516 233 HD21 LEU 30 1HD2 LEU 30 -2.996 -4.847 -8.960 234 HD22 LEU 30 2HD2 LEU 30 -1.255 -5.111 -8.824 235 HD23 LEU 30 3HD2 LEU 30 -2.042 -3.861 -7.853 236 H LEU 31 H LEU 31 -4.434 -6.974 -4.980 237 HA LEU 31 HA LEU 31 -2.685 -7.743 -2.877 238 HB2 LEU 31 2HB LEU 31 -5.500 -6.586 -2.720 239 HB3 LEU 31 3HB LEU 31 -4.423 -6.755 -1.340 240 HG LEU 31 HG LEU 31 -3.986 -4.947 -3.743 241 HD11 LEU 31 1HD1 LEU 31 -4.581 -4.240 -0.858 242 HD12 LEU 31 2HD1 LEU 31 -5.691 -4.091 -2.224 243 HD13 LEU 31 3HD1 LEU 31 -4.236 -3.098 -2.165 244 HD21 LEU 31 1HD2 LEU 31 -1.849 -5.834 -2.963 245 HD22 LEU 31 2HD2 LEU 31 -2.220 -5.320 -1.317 246 HD23 LEU 31 3HD2 LEU 31 -1.996 -4.119 -2.590 247 H ASN 32 H ASN 32 -5.692 -9.132 -4.070 248 HA ASN 32 HA ASN 32 -6.253 -10.899 -1.909 249 HB2 ASN 32 2HB ASN 32 -7.909 -10.255 -3.686 250 HB3 ASN 32 3HB ASN 32 -6.988 -11.184 -4.859 251 HD21 ASN 32 1HD2 ASN 32 -9.176 -11.335 -2.174 252 HD22 ASN 32 2HD2 ASN 32 -9.561 -13.011 -2.314 253 H LYS 33 H LYS 33 -4.155 -11.042 -4.698 254 HA LYS 33 HA LYS 33 -3.717 -13.902 -4.645 255 HB2 LYS 33 2HB LYS 33 -2.291 -11.709 -6.219 256 HB3 LYS 33 3HB LYS 33 -2.168 -13.444 -6.523 257 HG2 LYS 33 2HG LYS 33 -4.528 -13.536 -7.161 258 HG3 LYS 33 3HG LYS 33 -4.737 -11.836 -6.750 259 HD2 LYS 33 2HD LYS 33 -4.552 -12.063 -9.165 260 HD3 LYS 33 3HD LYS 33 -3.132 -11.217 -8.547 261 HE2 LYS 33 2HE LYS 33 -2.543 -12.881 -10.279 262 HE3 LYS 33 3HE LYS 33 -1.802 -13.277 -8.729 263 HZ1 LYS 33 1HZ LYS 33 -2.776 -15.207 -9.870 264 HZ2 LYS 33 2HZ LYS 33 -4.307 -14.505 -9.762 265 HZ3 LYS 33 3HZ LYS 33 -3.475 -14.941 -8.358 266 H ILE 34 H ILE 34 -1.865 -10.973 -3.749 267 HA ILE 34 HA ILE 34 0.494 -12.636 -3.078 268 HB ILE 34 HB ILE 34 1.813 -10.557 -3.162 269 HG12 ILE 34 2HG1 ILE 34 -0.860 -9.182 -3.714 270 HG13 ILE 34 3HG1 ILE 34 0.221 -8.890 -2.366 271 HG21 ILE 34 1HG2 ILE 34 1.498 -11.854 -5.230 272 HG22 ILE 34 2HG2 ILE 34 1.643 -10.136 -5.590 273 HG23 ILE 34 3HG2 ILE 34 0.057 -10.910 -5.629 274 HD11 ILE 34 1HD1 ILE 34 0.768 -8.202 -5.251 275 HD12 ILE 34 2HD1 ILE 34 1.859 -7.925 -3.890 276 HD13 ILE 34 3HD1 ILE 34 0.309 -7.093 -3.959 277 H LEU 35 H LEU 35 -1.741 -10.287 -1.642 278 HA LEU 35 HA LEU 35 -0.513 -10.667 1.024 279 HB2 LEU 35 2HB LEU 35 -2.678 -8.681 0.212 280 HB3 LEU 35 3HB LEU 35 -1.859 -8.753 1.763 281 HG LEU 35 HG LEU 35 -0.758 -7.778 -0.897 282 HD11 LEU 35 1HD1 LEU 35 -1.021 -6.416 1.804 283 HD12 LEU 35 2HD1 LEU 35 -2.046 -6.152 0.390 284 HD13 LEU 35 3HD1 LEU 35 -0.346 -5.700 0.334 285 HD21 LEU 35 1HD2 LEU 35 0.849 -8.305 1.622 286 HD22 LEU 35 2HD2 LEU 35 1.423 -7.431 0.199 287 HD23 LEU 35 3HD2 LEU 35 1.009 -9.137 0.072 288 H SER 36 H SER 36 -2.519 -10.393 2.723 289 HA SER 36 HA SER 36 -4.248 -12.641 2.461 290 HB2 SER 36 2HB SER 36 -4.530 -10.301 4.393 291 HB3 SER 36 3HB SER 36 -5.140 -11.938 4.608 292 HG SER 36 HG SER 36 -3.140 -11.345 5.731 293 HA PRO 37 HA PRO 37 -7.717 -10.601 0.185 294 HB2 PRO 37 2HB PRO 37 -9.268 -12.657 1.764 295 HB3 PRO 37 3HB PRO 37 -9.351 -12.268 0.030 296 HG2 PRO 37 2HG PRO 37 -8.109 -14.471 0.788 297 HG3 PRO 37 3HG PRO 37 -7.377 -13.446 -0.472 298 HD2 PRO 37 2HD PRO 37 -6.648 -13.650 2.449 299 HD3 PRO 37 3HD PRO 37 -5.581 -13.548 1.029 300 H ASP 38 H ASP 38 -7.465 -11.056 3.636 301 HA ASP 38 HA ASP 38 -9.603 -9.406 4.541 302 HB2 ASP 38 2HB ASP 38 -8.566 -11.109 5.967 303 HB3 ASP 38 3HB ASP 38 -7.006 -10.301 5.862 304 H VAL 39 H VAL 39 -6.291 -8.753 3.539 305 HA VAL 39 HA VAL 39 -5.947 -6.213 4.779 306 HB VAL 39 HB VAL 39 -4.435 -7.531 2.473 307 HG11 VAL 39 1HG1 VAL 39 -4.204 -5.111 2.168 308 HG12 VAL 39 2HG1 VAL 39 -2.687 -5.752 2.798 309 HG13 VAL 39 3HG1 VAL 39 -3.795 -4.900 3.873 310 HG21 VAL 39 1HG2 VAL 39 -4.186 -8.593 4.719 311 HG22 VAL 39 2HG2 VAL 39 -3.629 -7.057 5.379 312 HG23 VAL 39 3HG2 VAL 39 -2.665 -7.895 4.158 313 H LEU 40 H LEU 40 -6.815 -7.116 1.388 314 HA LEU 40 HA LEU 40 -6.899 -4.505 0.348 315 HB2 LEU 40 2HB LEU 40 -8.113 -5.424 -1.538 316 HB3 LEU 40 3HB LEU 40 -6.854 -6.533 -1.040 317 HG LEU 40 HG LEU 40 -8.987 -7.603 0.334 318 HD11 LEU 40 1HD1 LEU 40 -10.971 -7.707 -1.086 319 HD12 LEU 40 2HD1 LEU 40 -10.251 -6.545 -2.208 320 HD13 LEU 40 3HD1 LEU 40 -10.642 -6.059 -0.556 321 HD21 LEU 40 1HD2 LEU 40 -7.428 -8.848 -1.078 322 HD22 LEU 40 2HD2 LEU 40 -8.294 -8.315 -2.521 323 HD23 LEU 40 3HD2 LEU 40 -9.096 -9.348 -1.335 324 H ASP 41 H ASP 41 -9.209 -6.308 2.197 325 HA ASP 41 HA ASP 41 -11.579 -4.847 1.752 326 HB2 ASP 41 2HB ASP 41 -11.720 -7.068 2.693 327 HB3 ASP 41 3HB ASP 41 -10.661 -6.644 4.035 328 H GLN 42 H GLN 42 -9.337 -4.757 4.576 329 HA GLN 42 HA GLN 42 -10.577 -2.570 5.865 330 HB2 GLN 42 2HB GLN 42 -8.583 -2.495 7.312 331 HB3 GLN 42 3HB GLN 42 -9.151 -4.144 7.085 332 HG2 GLN 42 2HG GLN 42 -7.360 -4.497 5.390 333 HG3 GLN 42 3HG GLN 42 -6.763 -2.870 5.713 334 HE21 GLN 42 1HE2 GLN 42 -4.752 -3.607 6.388 335 HE22 GLN 42 2HE2 GLN 42 -4.509 -4.435 7.882 336 H VAL 43 H VAL 43 -8.074 -2.711 3.416 337 HA VAL 43 HA VAL 43 -7.183 -0.016 3.501 338 HB VAL 43 HB VAL 43 -7.081 -2.150 1.322 339 HG11 VAL 43 1HG1 VAL 43 -5.771 0.594 1.225 340 HG12 VAL 43 2HG1 VAL 43 -7.084 0.038 0.186 341 HG13 VAL 43 3HG1 VAL 43 -5.495 -0.717 0.073 342 HG21 VAL 43 1HG2 VAL 43 -4.672 -2.256 1.889 343 HG22 VAL 43 2HG2 VAL 43 -5.665 -2.562 3.317 344 HG23 VAL 43 3HG2 VAL 43 -4.891 -0.989 3.100 345 H ARG 44 H ARG 44 -9.683 -1.661 1.487 346 HA ARG 44 HA ARG 44 -10.260 0.732 -0.008 347 HB2 ARG 44 2HB ARG 44 -11.934 -0.534 -1.185 348 HB3 ARG 44 3HB ARG 44 -10.488 -1.521 -1.003 349 HG2 ARG 44 2HG ARG 44 -11.575 -2.769 0.837 350 HG3 ARG 44 3HG ARG 44 -13.026 -1.776 0.645 351 HD2 ARG 44 2HD ARG 44 -11.852 -3.709 -1.378 352 HD3 ARG 44 3HD ARG 44 -13.360 -3.899 -0.482 353 HE ARG 44 HE ARG 44 -12.856 -2.144 -2.762 354 HH11 ARG 44 1HH1 ARG 44 -15.192 -3.224 -0.354 355 HH12 ARG 44 2HH1 ARG 44 -16.544 -2.560 -1.201 356 HH21 ARG 44 1HH2 ARG 44 -14.636 -1.268 -3.828 357 HH22 ARG 44 2HH2 ARG 44 -16.221 -1.455 -3.175 358 H GLU 45 H GLU 45 -11.485 -0.574 2.980 359 HA GLU 45 HA GLU 45 -13.826 1.176 3.002 360 HB2 GLU 45 2HB GLU 45 -12.671 -0.548 5.239 361 HB3 GLU 45 3HB GLU 45 -14.224 0.285 5.274 362 HG2 GLU 45 2HG GLU 45 -13.429 -2.036 3.482 363 HG3 GLU 45 3HG GLU 45 -14.590 -2.067 4.807 364 H HIS 46 H HIS 46 -10.499 1.217 4.137 365 HA HIS 46 HA HIS 46 -10.637 3.593 5.758 366 HB2 HIS 46 2HB HIS 46 -8.799 1.876 5.918 367 HB3 HIS 46 3HB HIS 46 -8.232 2.359 4.327 368 HD1 HIS 46 HD1 HIS 46 -6.747 4.427 4.197 369 HD2 HIS 46 HD2 HIS 46 -8.324 3.801 7.987 370 HE1 HIS 46 HE1 HIS 46 -5.448 5.937 5.729 371 HE2 HIS 46 HE2 HIS 46 -6.436 5.552 8.006 372 H ALA 47 H ALA 47 -10.393 2.867 2.406 373 HA ALA 47 HA ALA 47 -9.296 5.128 1.212 374 HB1 ALA 47 1HB ALA 47 -10.489 4.354 -0.799 375 HB2 ALA 47 2HB ALA 47 -11.489 3.290 0.196 376 HB3 ALA 47 3HB ALA 47 -9.753 2.999 0.065 377 H ARG 48 H ARG 48 -12.617 4.359 2.111 378 HA ARG 48 HA ARG 48 -13.991 6.399 0.762 379 HB2 ARG 48 2HB ARG 48 -14.834 4.988 3.335 380 HB3 ARG 48 3HB ARG 48 -15.909 5.783 2.178 381 HG2 ARG 48 2HG ARG 48 -15.387 4.117 0.476 382 HG3 ARG 48 3HG ARG 48 -14.175 3.370 1.526 383 HD2 ARG 48 2HD ARG 48 -15.988 2.790 3.138 384 HD3 ARG 48 3HD ARG 48 -17.176 3.474 2.018 385 HE ARG 48 HE ARG 48 -15.689 0.982 1.736 386 HH11 ARG 48 1HH1 ARG 48 -17.883 3.266 0.214 387 HH12 ARG 48 2HH1 ARG 48 -18.406 2.136 -0.991 388 HH21 ARG 48 1HH2 ARG 48 -16.367 -0.475 0.166 389 HH22 ARG 48 2HH2 ARG 48 -17.545 0.005 -1.018 390 H GLU 49 H GLU 49 -12.648 6.240 4.026 391 HA GLU 49 HA GLU 49 -13.523 8.647 5.135 392 HB2 GLU 49 2HB GLU 49 -10.854 7.223 5.536 393 HB3 GLU 49 3HB GLU 49 -11.489 8.481 6.594 394 HG2 GLU 49 2HG GLU 49 -12.819 5.792 6.107 395 HG3 GLU 49 3HG GLU 49 -11.769 6.154 7.476 396 H LEU 50 H LEU 50 -10.445 7.971 3.461 397 HA LEU 50 HA LEU 50 -9.380 10.586 3.551 398 HB2 LEU 50 2HB LEU 50 -8.737 8.240 1.719 399 HB3 LEU 50 3HB LEU 50 -7.732 9.678 1.872 400 HG LEU 50 HG LEU 50 -8.361 7.792 4.183 401 HD11 LEU 50 1HD1 LEU 50 -5.848 7.891 2.505 402 HD12 LEU 50 2HD1 LEU 50 -7.059 6.609 2.494 403 HD13 LEU 50 3HD1 LEU 50 -6.111 6.905 3.946 404 HD21 LEU 50 1HD2 LEU 50 -6.337 10.052 3.965 405 HD22 LEU 50 2HD2 LEU 50 -6.536 8.960 5.340 406 HD23 LEU 50 3HD2 LEU 50 -7.832 10.068 4.910 407 H GLN 51 H GLN 51 -11.376 8.935 1.202 408 HA GLN 51 HA GLN 51 -11.104 10.696 -0.997 409 HB2 GLN 51 2HB GLN 51 -11.939 8.350 -1.145 410 HB3 GLN 51 3HB GLN 51 -13.403 8.820 -0.287 411 HG2 GLN 51 2HG GLN 51 -14.043 10.290 -2.148 412 HG3 GLN 51 3HG GLN 51 -12.539 9.920 -2.986 413 HE21 GLN 51 1HE2 GLN 51 -12.238 7.792 -3.817 414 HE22 GLN 51 2HE2 GLN 51 -13.588 6.775 -4.164 415 H LYS 52 H LYS 52 -13.468 10.459 1.658 416 HA LYS 52 HA LYS 52 -15.105 12.667 0.820 417 HB2 LYS 52 2HB LYS 52 -14.919 11.231 3.501 418 HB3 LYS 52 3HB LYS 52 -16.154 12.422 3.091 419 HG2 LYS 52 2HG LYS 52 -17.044 10.965 1.353 420 HG3 LYS 52 3HG LYS 52 -15.744 9.796 1.625 421 HD2 LYS 52 2HD LYS 52 -16.578 9.453 3.956 422 HD3 LYS 52 3HD LYS 52 -17.902 10.575 3.633 423 HE2 LYS 52 2HE LYS 52 -18.732 9.050 1.868 424 HE3 LYS 52 3HE LYS 52 -17.413 7.931 2.226 425 HZ1 LYS 52 1HZ LYS 52 -18.292 7.676 4.456 426 HZ2 LYS 52 2HZ LYS 52 -19.461 7.271 3.302 427 HZ3 LYS 52 3HZ LYS 52 -19.556 8.747 4.115 428 H GLN 53 H GLN 53 -12.340 12.289 2.979 429 HA GLN 53 HA GLN 53 -12.395 14.884 4.178 430 HB2 GLN 53 2HB GLN 53 -10.126 12.876 3.825 431 HB3 GLN 53 3HB GLN 53 -9.952 14.372 4.741 432 HG2 GLN 53 2HG GLN 53 -11.657 13.620 6.333 433 HG3 GLN 53 3HG GLN 53 -11.911 12.146 5.408 434 HE21 GLN 53 1HE2 GLN 53 -10.271 10.541 5.437 435 HE22 GLN 53 2HE2 GLN 53 -9.071 10.491 6.665 436 H GLY 54 H GLY 54 -11.438 13.761 1.065 437 HA2 GLY 54 2HA GLY 54 -10.880 14.924 -0.821 438 HA3 GLY 54 3HA GLY 54 -10.981 16.423 0.098 439 H ILE 55 H ILE 55 -8.938 13.561 0.624 440 HA ILE 55 HA ILE 55 -6.507 15.263 0.397 441 HB ILE 55 HB ILE 55 -6.774 12.638 1.954 442 HG12 ILE 55 2HG1 ILE 55 -6.784 15.494 3.048 443 HG13 ILE 55 3HG1 ILE 55 -8.175 14.418 2.990 444 HG21 ILE 55 1HG2 ILE 55 -4.526 14.701 1.934 445 HG22 ILE 55 2HG2 ILE 55 -4.471 13.099 1.194 446 HG23 ILE 55 3HG2 ILE 55 -4.586 13.254 2.946 447 HD11 ILE 55 1HD1 ILE 55 -7.050 12.897 4.558 448 HD12 ILE 55 2HD1 ILE 55 -7.263 14.515 5.220 449 HD13 ILE 55 3HD1 ILE 55 -5.676 14.007 4.641 450 H HIS 56 H HIS 56 -6.094 14.961 -1.832 451 HA HIS 56 HA HIS 56 -5.764 12.222 -2.847 452 HB2 HIS 56 2HB HIS 56 -6.811 13.808 -4.394 453 HB3 HIS 56 3HB HIS 56 -5.451 14.916 -4.249 454 HD1 HIS 56 HD1 HIS 56 -4.765 14.827 -6.710 455 HD2 HIS 56 HD2 HIS 56 -4.915 11.061 -4.967 456 HE1 HIS 56 HE1 HIS 56 -3.681 13.270 -8.352 457 HE2 HIS 56 HE2 HIS 56 -3.713 11.024 -7.237 458 H PHE 57 H PHE 57 -3.972 11.340 -2.100 459 HA PHE 57 HA PHE 57 -1.368 12.711 -2.368 460 HB2 PHE 57 2HB PHE 57 -0.558 10.639 -0.994 461 HB3 PHE 57 3HB PHE 57 -1.471 11.883 -0.151 462 HD1 PHE 57 HD1 PHE 57 -1.659 8.438 -1.528 463 HD2 PHE 57 HD2 PHE 57 -3.663 11.445 0.774 464 HE1 PHE 57 HE1 PHE 57 -3.310 6.790 -0.808 465 HE2 PHE 57 HE2 PHE 57 -5.311 9.780 1.490 466 HZ PHE 57 HZ PHE 57 -5.139 7.463 0.693 467 H GLU 58 H GLU 58 0.089 11.907 -3.832 468 HA GLU 58 HA GLU 58 -0.723 9.565 -5.439 469 HB2 GLU 58 2HB GLU 58 -1.393 11.791 -6.516 470 HB3 GLU 58 3HB GLU 58 0.323 12.151 -6.673 471 HG2 GLU 58 2HG GLU 58 -0.591 11.268 -8.773 472 HG3 GLU 58 3HG GLU 58 0.624 10.168 -8.114 473 H VAL 59 H VAL 59 0.849 8.275 -6.062 474 HA VAL 59 HA VAL 59 3.307 8.237 -4.668 475 HB VAL 59 HB VAL 59 2.368 6.571 -7.050 476 HG11 VAL 59 1HG1 VAL 59 4.691 6.022 -5.169 477 HG12 VAL 59 2HG1 VAL 59 4.811 6.435 -6.879 478 HG13 VAL 59 3HG1 VAL 59 4.080 4.906 -6.394 479 HG21 VAL 59 1HG2 VAL 59 0.886 6.358 -5.075 480 HG22 VAL 59 2HG2 VAL 59 2.272 5.923 -4.071 481 HG23 VAL 59 3HG2 VAL 59 1.758 4.853 -5.380 482 H LYS 60 H LYS 60 5.194 9.156 -5.155 483 HA LYS 60 HA LYS 60 5.726 10.175 -7.892 484 HB2 LYS 60 2HB LYS 60 6.694 11.278 -5.212 485 HB3 LYS 60 3HB LYS 60 7.160 11.909 -6.791 486 HG2 LYS 60 2HG LYS 60 4.374 11.938 -5.579 487 HG3 LYS 60 3HG LYS 60 5.453 13.323 -5.775 488 HD2 LYS 60 2HD LYS 60 4.122 11.716 -7.995 489 HD3 LYS 60 3HD LYS 60 3.715 13.353 -7.479 490 HE2 LYS 60 2HE LYS 60 6.325 12.501 -8.784 491 HE3 LYS 60 3HE LYS 60 5.012 13.386 -9.560 492 HZ1 LYS 60 1HZ LYS 60 6.831 14.837 -8.859 493 HZ2 LYS 60 2HZ LYS 60 6.591 14.380 -7.251 494 HZ3 LYS 60 3HZ LYS 60 5.383 15.224 -8.072 495 H ARG 61 H ARG 61 7.068 8.525 -5.089 496 HA ARG 61 HA ARG 61 9.341 7.516 -6.667 497 HB2 ARG 61 2HB ARG 61 10.219 9.541 -5.628 498 HB3 ARG 61 3HB ARG 61 9.564 9.089 -4.059 499 HG2 ARG 61 2HG ARG 61 11.155 7.220 -3.913 500 HG3 ARG 61 3HG ARG 61 11.785 7.610 -5.516 501 HD2 ARG 61 2HD ARG 61 13.215 8.446 -3.651 502 HD3 ARG 61 3HD ARG 61 12.651 9.721 -4.729 503 HE ARG 61 HE ARG 61 11.083 10.415 -3.038 504 HH11 ARG 61 1HH1 ARG 61 13.530 8.143 -1.887 505 HH12 ARG 61 2HH1 ARG 61 13.314 8.592 -0.234 506 HH21 ARG 61 1HH2 ARG 61 10.840 10.958 -0.858 507 HH22 ARG 61 2HH2 ARG 61 11.800 10.172 0.344 508 H VAL 62 H VAL 62 9.627 5.400 -6.259 509 HA VAL 62 HA VAL 62 8.555 4.186 -3.761 510 HB VAL 62 HB VAL 62 8.766 2.839 -6.508 511 HG11 VAL 62 1HG1 VAL 62 7.577 1.770 -3.913 512 HG12 VAL 62 2HG1 VAL 62 9.086 1.232 -4.650 513 HG13 VAL 62 3HG1 VAL 62 7.553 0.936 -5.472 514 HG21 VAL 62 1HG2 VAL 62 6.938 4.493 -6.484 515 HG22 VAL 62 2HG2 VAL 62 6.272 3.753 -5.027 516 HG23 VAL 62 3HG2 VAL 62 6.290 2.852 -6.546 517 H GLU 63 H GLU 63 10.088 3.272 -2.528 518 HA GLU 63 HA GLU 63 12.503 2.081 -3.770 519 HB2 GLU 63 2HB GLU 63 12.369 3.494 -1.057 520 HB3 GLU 63 3HB GLU 63 13.776 2.646 -1.705 521 HG2 GLU 63 2HG GLU 63 13.809 4.284 -3.600 522 HG3 GLU 63 3HG GLU 63 12.509 5.174 -2.805 523 H VAL 64 H VAL 64 12.051 -0.041 -3.670 524 HA VAL 64 HA VAL 64 10.736 -1.151 -1.261 525 HB VAL 64 HB VAL 64 9.504 -1.619 -3.325 526 HG11 VAL 64 1HG1 VAL 64 11.967 -3.055 -4.380 527 HG12 VAL 64 2HG1 VAL 64 11.305 -1.538 -4.993 528 HG13 VAL 64 3HG1 VAL 64 10.376 -3.030 -5.149 529 HG21 VAL 64 1HG2 VAL 64 9.420 -3.277 -1.522 530 HG22 VAL 64 2HG2 VAL 64 10.806 -4.127 -2.206 531 HG23 VAL 64 3HG2 VAL 64 9.281 -4.069 -3.093 532 H THR 65 H THR 65 12.026 -2.047 0.156 533 HA THR 65 HA THR 65 14.605 -3.280 -0.591 534 HB THR 65 HB THR 65 15.259 -1.017 -0.094 535 HG1 THR 65 HG1 THR 65 16.831 -1.812 1.049 536 HG21 THR 65 1HG2 THR 65 13.245 -0.205 1.050 537 HG22 THR 65 2HG2 THR 65 14.684 0.164 2.002 538 HG23 THR 65 3HG2 THR 65 13.636 -1.177 2.469 539 H THR 66 H THR 66 15.487 -4.635 1.113 540 HA THR 66 HA THR 66 13.296 -5.951 2.582 541 HB THR 66 HB THR 66 14.890 -7.953 2.569 542 HG1 THR 66 HG1 THR 66 16.853 -6.896 2.196 543 HG21 THR 66 1HG2 THR 66 13.044 -7.751 0.939 544 HG22 THR 66 2HG2 THR 66 14.458 -8.499 0.196 545 HG23 THR 66 3HG2 THR 66 14.085 -6.807 -0.130 546 H ASP 67 H ASP 67 13.255 -6.004 4.648 547 HA ASP 67 HA ASP 67 15.508 -5.275 6.416 548 HB2 ASP 67 2HB ASP 67 13.654 -3.743 6.666 549 HB3 ASP 67 3HB ASP 67 12.472 -5.036 6.640 550 H GLY 68 H GLY 68 16.382 -7.426 6.260 551 HA2 GLY 68 2HA GLY 68 16.754 -9.585 6.975 552 HA3 GLY 68 3HA GLY 68 15.395 -9.407 8.085 553 H ASN 69 H ASN 69 13.857 -10.901 7.698 554 HA ASN 69 HA ASN 69 13.332 -11.993 5.022 555 HB2 ASN 69 2HB ASN 69 12.066 -12.602 7.736 556 HB3 ASN 69 3HB ASN 69 11.603 -13.396 6.233 557 HD21 ASN 69 1HD2 ASN 69 14.104 -13.074 8.651 558 HD22 ASN 69 2HD2 ASN 69 15.003 -14.471 8.186 559 H THR 70 H THR 70 12.320 -9.362 6.858 560 HA THR 70 HA THR 70 9.617 -9.118 5.756 561 HB THR 70 HB THR 70 11.212 -7.223 7.563 562 HG1 THR 70 HG1 THR 70 9.337 -8.362 8.979 563 HG21 THR 70 1HG2 THR 70 9.039 -6.260 8.182 564 HG22 THR 70 2HG2 THR 70 8.223 -7.333 7.045 565 HG23 THR 70 3HG2 THR 70 9.322 -6.087 6.450 566 H VAL 71 H VAL 71 9.058 -7.256 4.412 567 HA VAL 71 HA VAL 71 11.289 -5.798 3.095 568 HB VAL 71 HB VAL 71 8.593 -6.511 1.833 569 HG11 VAL 71 1HG1 VAL 71 9.626 -5.735 -0.286 570 HG12 VAL 71 2HG1 VAL 71 11.087 -5.288 0.598 571 HG13 VAL 71 3HG1 VAL 71 9.570 -4.448 0.924 572 HG21 VAL 71 1HG2 VAL 71 11.293 -7.817 1.328 573 HG22 VAL 71 2HG2 VAL 71 9.813 -8.149 0.426 574 HG23 VAL 71 3HG2 VAL 71 9.918 -8.569 2.138 575 H ASN 72 H ASN 72 11.175 -3.609 3.295 576 HA ASN 72 HA ASN 72 8.614 -2.285 4.035 577 HB2 ASN 72 2HB ASN 72 11.502 -1.383 4.460 578 HB3 ASN 72 3HB ASN 72 10.132 -0.292 4.631 579 HD21 ASN 72 1HD2 ASN 72 11.657 -3.162 5.935 580 HD22 ASN 72 2HD2 ASN 72 10.924 -3.064 7.495 581 H VAL 73 H VAL 73 7.656 -1.218 2.401 582 HA VAL 73 HA VAL 73 9.249 -0.183 0.154 583 HB VAL 73 HB VAL 73 6.209 -0.192 0.482 584 HG11 VAL 73 1HG1 VAL 73 7.945 0.424 -1.954 585 HG12 VAL 73 2HG1 VAL 73 6.990 1.593 -1.035 586 HG13 VAL 73 3HG1 VAL 73 6.180 0.324 -1.952 587 HG21 VAL 73 1HG2 VAL 73 6.218 -2.077 -1.129 588 HG22 VAL 73 2HG2 VAL 73 7.080 -2.493 0.352 589 HG23 VAL 73 3HG2 VAL 73 7.985 -2.086 -1.107 590 H THR 74 H THR 74 10.215 1.607 0.821 591 HA THR 74 HA THR 74 8.881 3.733 2.302 592 HB THR 74 HB THR 74 11.668 3.602 1.037 593 HG1 THR 74 HG1 THR 74 10.679 2.362 3.179 594 HG21 THR 74 1HG2 THR 74 10.562 5.525 3.124 595 HG22 THR 74 2HG2 THR 74 10.957 5.937 1.452 596 HG23 THR 74 3HG2 THR 74 12.236 5.459 2.572 597 H VAL 75 H VAL 75 7.410 4.764 1.081 598 HA VAL 75 HA VAL 75 7.975 5.493 -1.724 599 HB VAL 75 HB VAL 75 6.421 3.641 -1.804 600 HG11 VAL 75 1HG1 VAL 75 4.284 3.547 -0.627 601 HG12 VAL 75 2HG1 VAL 75 4.617 5.095 0.150 602 HG13 VAL 75 3HG1 VAL 75 5.617 3.689 0.519 603 HG21 VAL 75 1HG2 VAL 75 4.870 6.221 -2.254 604 HG22 VAL 75 2HG2 VAL 75 4.450 4.642 -2.924 605 HG23 VAL 75 3HG2 VAL 75 5.948 5.436 -3.412 606 H GLU 76 H GLU 76 7.868 7.572 -2.062 607 HA GLU 76 HA GLU 76 6.876 9.468 -0.084 608 HB2 GLU 76 2HB GLU 76 9.121 9.735 -1.086 609 HB3 GLU 76 3HB GLU 76 8.407 9.787 -2.696 610 HG2 GLU 76 2HG GLU 76 7.109 11.868 -1.810 611 HG3 GLU 76 3HG GLU 76 8.294 11.868 -0.505 612 H LEU 77 H LEU 77 4.906 10.440 -0.322 613 HA LEU 77 HA LEU 77 3.689 10.695 -3.015 614 HB2 LEU 77 2HB LEU 77 2.158 10.159 -0.428 615 HB3 LEU 77 3HB LEU 77 1.450 10.444 -2.010 616 HG LEU 77 HG LEU 77 2.880 8.260 -2.669 617 HD11 LEU 77 1HD1 LEU 77 2.991 6.607 -0.883 618 HD12 LEU 77 2HD1 LEU 77 2.449 7.811 0.292 619 HD13 LEU 77 3HD1 LEU 77 4.004 8.003 -0.522 620 HD21 LEU 77 1HD2 LEU 77 0.452 8.460 -2.886 621 HD22 LEU 77 2HD2 LEU 77 0.251 8.100 -1.168 622 HD23 LEU 77 3HD2 LEU 77 0.908 6.878 -2.260 623 H GLU 78 H GLU 78 2.732 12.630 -3.473 624 HA GLU 78 HA GLU 78 3.083 14.863 -1.579 625 HB2 GLU 78 2HB GLU 78 2.243 14.796 -4.508 626 HB3 GLU 78 3HB GLU 78 2.292 16.266 -3.540 627 HG2 GLU 78 2HG GLU 78 4.719 15.911 -3.169 628 HG3 GLU 78 3HG GLU 78 4.654 14.499 -4.222 629 H GLU 79 H GLU 79 1.497 15.047 -0.129 630 HA GLU 79 HA GLU 79 -1.236 14.202 -0.689 631 HB2 GLU 79 2HB GLU 79 -0.105 15.416 1.869 632 HB3 GLU 79 3HB GLU 79 -1.659 14.601 1.674 633 HG2 GLU 79 2HG GLU 79 -0.300 12.524 1.002 634 HG3 GLU 79 3HG GLU 79 1.117 13.376 1.611 635 H THR 80 H THR 80 -2.208 15.600 -1.944 636 HA THR 80 HA THR 80 -2.225 18.485 -1.531 637 HB THR 80 HB THR 80 -3.519 16.739 -3.678 638 HG1 THR 80 HG1 THR 80 -0.999 17.882 -3.377 639 HG21 THR 80 1HG2 THR 80 -4.703 18.894 -3.510 640 HG22 THR 80 2HG2 THR 80 -3.735 18.840 -4.983 641 HG23 THR 80 3HG2 THR 80 -3.165 19.764 -3.593 642 H THR 81 H THR 81 -3.542 19.080 0.078 643 HA THR 81 HA THR 81 -6.370 18.363 0.092 644 HB THR 81 HB THR 81 -5.551 16.704 1.640 645 HG1 THR 81 HG1 THR 81 -7.332 17.416 2.572 646 HG21 THR 81 1HG2 THR 81 -4.186 17.208 3.645 647 HG22 THR 81 2HG2 THR 81 -4.059 18.894 3.138 648 HG23 THR 81 3HG2 THR 81 -3.317 17.623 2.165 649 H GLY 82 H GLY 82 -7.402 20.258 0.066 650 HA2 GLY 82 2HA GLY 82 -8.092 22.381 0.548 651 HA3 GLY 82 3HA GLY 82 -7.227 22.226 2.066 652 H GLY 83 H GLY 83 -5.468 21.952 -0.937 653 HA2 GLY 83 2HA GLY 83 -4.387 23.679 -2.182 654 HA3 GLY 83 3HA GLY 83 -4.478 24.744 -0.789 655 H THR 84 H THR 84 -3.601 22.290 0.870 656 HA THR 84 HA THR 84 -0.775 22.965 0.845 657 HB THR 84 HB THR 84 -2.337 21.073 2.668 658 HG1 THR 84 HG1 THR 84 -1.909 23.840 2.672 659 HG21 THR 84 1HG2 THR 84 0.390 22.362 3.112 660 HG22 THR 84 2HG2 THR 84 0.128 20.657 2.732 661 HG23 THR 84 3HG2 THR 84 -0.467 21.325 4.253 662 H THR 85 H THR 85 0.722 21.780 -0.208 663 HA THR 85 HA THR 85 0.264 18.903 -0.771 664 HB THR 85 HB THR 85 1.601 20.908 -2.643 665 HG1 THR 85 HG1 THR 85 -0.856 20.742 -2.372 666 HG21 THR 85 1HG2 THR 85 2.643 18.654 -2.824 667 HG22 THR 85 2HG2 THR 85 1.706 19.044 -4.267 668 HG23 THR 85 3HG2 THR 85 1.040 17.941 -3.066 669 H THR 86 H THR 86 1.633 17.864 0.502 670 HA THR 86 HA THR 86 4.406 18.846 0.890 671 HB THR 86 HB THR 86 2.646 17.467 2.981 672 HG1 THR 86 HG1 THR 86 3.075 20.126 2.328 673 HG21 THR 86 1HG2 THR 86 4.470 18.028 4.571 674 HG22 THR 86 2HG2 THR 86 5.437 18.661 3.237 675 HG23 THR 86 3HG2 THR 86 5.041 16.940 3.301 676 H ASN 87 H ASN 87 5.978 17.344 0.512 677 HA ASN 87 HA ASN 87 5.332 14.665 -0.381 678 HB2 ASN 87 2HB ASN 87 8.020 16.026 0.148 679 HB3 ASN 87 3HB ASN 87 7.850 14.406 -0.517 680 HD21 ASN 87 1HD2 ASN 87 7.205 14.161 -2.663 681 HD22 ASN 87 2HD2 ASN 87 7.137 15.485 -3.767 682 H THR 88 H THR 88 4.514 13.485 1.220 683 HA THR 88 HA THR 88 5.888 13.248 3.814 684 HB THR 88 HB THR 88 3.084 12.331 3.017 685 HG1 THR 88 HG1 THR 88 2.382 14.197 3.859 686 HG21 THR 88 1HG2 THR 88 2.718 12.067 5.453 687 HG22 THR 88 2HG2 THR 88 4.405 12.481 5.765 688 HG23 THR 88 3HG2 THR 88 4.006 10.997 4.892 689 H THR 89 H THR 89 6.854 11.363 4.350 690 HA THR 89 HA THR 89 7.132 9.332 2.281 691 HB THR 89 HB THR 89 8.581 9.527 4.962 692 HG1 THR 89 HG1 THR 89 8.767 11.154 2.848 693 HG21 THR 89 1HG2 THR 89 10.303 8.147 3.816 694 HG22 THR 89 2HG2 THR 89 9.273 8.053 2.385 695 HG23 THR 89 3HG2 THR 89 8.755 7.301 3.899 696 H TYR 90 H TYR 90 5.936 7.546 2.345 697 HA TYR 90 HA TYR 90 4.653 6.595 4.829 698 HB2 TYR 90 2HB TYR 90 4.010 6.275 1.869 699 HB3 TYR 90 3HB TYR 90 3.379 5.126 3.041 700 HD1 TYR 90 HD1 TYR 90 3.527 8.890 2.534 701 HD2 TYR 90 HD2 TYR 90 1.274 5.524 3.896 702 HE1 TYR 90 HE1 TYR 90 1.596 10.350 2.981 703 HE2 TYR 90 HE2 TYR 90 -0.640 6.971 4.347 704 HH TYR 90 HH TYR 90 -0.856 10.157 3.241 705 H GLU 91 H GLU 91 5.507 4.787 5.741 706 HA GLU 91 HA GLU 91 7.273 3.021 4.131 707 HB2 GLU 91 2HB GLU 91 7.274 3.483 7.148 708 HB3 GLU 91 3HB GLU 91 8.388 2.442 6.255 709 HG2 GLU 91 2HG GLU 91 9.292 4.432 5.082 710 HG3 GLU 91 3HG GLU 91 8.182 5.466 5.983 711 H LEU 92 H LEU 92 5.973 1.446 3.468 712 HA LEU 92 HA LEU 92 3.941 0.264 5.248 713 HB2 LEU 92 2HB LEU 92 4.401 -0.059 2.250 714 HB3 LEU 92 3HB LEU 92 3.168 -0.908 3.168 715 HG LEU 92 HG LEU 92 2.192 1.388 3.757 716 HD11 LEU 92 1HD1 LEU 92 2.688 3.283 2.323 717 HD12 LEU 92 2HD1 LEU 92 3.967 2.365 1.521 718 HD13 LEU 92 3HD1 LEU 92 4.113 2.785 3.229 719 HD21 LEU 92 1HD2 LEU 92 0.953 1.604 1.662 720 HD22 LEU 92 2HD2 LEU 92 1.129 -0.088 2.121 721 HD23 LEU 92 3HD2 LEU 92 2.137 0.584 0.838 722 H ARG 93 H ARG 93 4.777 -1.288 6.480 723 HA ARG 93 HA ARG 93 7.090 -2.844 5.627 724 HB2 ARG 93 2HB ARG 93 6.931 -1.735 7.918 725 HB3 ARG 93 3HB ARG 93 5.668 -2.894 8.328 726 HG2 ARG 93 2HG ARG 93 7.225 -4.750 8.067 727 HG3 ARG 93 3HG ARG 93 8.483 -3.656 7.485 728 HD2 ARG 93 2HD ARG 93 8.440 -2.521 9.725 729 HD3 ARG 93 3HD ARG 93 7.301 -3.756 10.281 730 HE ARG 93 HE ARG 93 10.078 -4.314 9.376 731 HH11 ARG 93 1HH1 ARG 93 7.382 -5.053 11.532 732 HH12 ARG 93 2HH1 ARG 93 8.247 -6.304 12.362 733 HH21 ARG 93 1HH2 ARG 93 11.175 -5.936 10.472 734 HH22 ARG 93 2HH2 ARG 93 10.398 -6.802 11.755 735 H PHE 94 H PHE 94 6.379 -4.318 4.214 736 HA PHE 94 HA PHE 94 4.092 -6.064 4.699 737 HB2 PHE 94 2HB PHE 94 6.093 -5.823 2.399 738 HB3 PHE 94 3HB PHE 94 4.783 -6.993 2.428 739 HD1 PHE 94 HD1 PHE 94 5.683 -3.555 1.719 740 HD2 PHE 94 HD2 PHE 94 2.386 -6.176 2.484 741 HE1 PHE 94 HE1 PHE 94 4.143 -1.910 0.758 742 HE2 PHE 94 HE2 PHE 94 0.859 -4.514 1.525 743 HZ PHE 94 HZ PHE 94 1.732 -2.387 0.659 744 H GLU 95 H GLU 95 4.426 -7.742 6.053 745 HA GLU 95 HA GLU 95 7.107 -8.989 6.195 746 HB2 GLU 95 2HB GLU 95 6.291 -7.896 8.296 747 HB3 GLU 95 3HB GLU 95 4.940 -9.029 8.334 748 HG2 GLU 95 2HG GLU 95 6.372 -10.898 8.719 749 HG3 GLU 95 3HG GLU 95 7.821 -9.969 8.310 750 H VAL 96 H VAL 96 7.327 -11.100 5.865 751 HA VAL 96 HA VAL 96 5.278 -12.328 4.205 752 HB VAL 96 HB VAL 96 7.033 -13.778 3.353 753 HG11 VAL 96 1HG1 VAL 96 8.670 -12.114 2.532 754 HG12 VAL 96 2HG1 VAL 96 8.118 -10.969 3.755 755 HG13 VAL 96 3HG1 VAL 96 7.017 -11.493 2.477 756 HG21 VAL 96 1HG2 VAL 96 8.846 -12.741 5.579 757 HG22 VAL 96 2HG2 VAL 96 9.354 -13.801 4.261 758 HG23 VAL 96 3HG2 VAL 96 8.188 -14.374 5.455 759 H ASP 97 H ASP 97 4.545 -14.437 4.432 760 HA ASP 97 HA ASP 97 5.192 -16.017 6.815 761 HB2 ASP 97 2HB ASP 97 3.187 -14.678 7.442 762 HB3 ASP 97 3HB ASP 97 2.344 -15.262 6.009 763 H GLY 98 H GLY 98 6.124 -17.628 5.653 764 HA2 GLY 98 2HA GLY 98 6.313 -19.519 4.370 765 HA3 GLY 98 3HA GLY 98 4.600 -19.393 3.969 766 H ASP 99 H ASP 99 4.062 -18.641 1.990 767 HA ASP 99 HA ASP 99 6.175 -17.541 0.196 768 HB2 ASP 99 2HB ASP 99 3.747 -19.253 -0.517 769 HB3 ASP 99 3HB ASP 99 4.851 -18.543 -1.690 770 H THR 100 H THR 100 3.429 -16.668 1.883 771 HA THR 100 HA THR 100 2.719 -14.510 -0.034 772 HB THR 100 HB THR 100 0.892 -16.085 -0.149 773 HG1 THR 100 HG1 THR 100 0.213 -13.923 -0.031 774 HG21 THR 100 1HG2 THR 100 1.310 -17.356 1.922 775 HG22 THR 100 2HG2 THR 100 -0.378 -16.852 1.819 776 HG23 THR 100 3HG2 THR 100 0.735 -15.991 2.884 777 H ILE 101 H ILE 101 2.239 -12.523 0.866 778 HA ILE 101 HA ILE 101 3.463 -11.984 3.472 779 HB ILE 101 HB ILE 101 2.453 -10.090 1.306 780 HG12 ILE 101 2HG1 ILE 101 5.333 -10.886 1.966 781 HG13 ILE 101 3HG1 ILE 101 4.414 -11.462 0.579 782 HG21 ILE 101 1HG2 ILE 101 4.113 -9.436 3.764 783 HG22 ILE 101 2HG2 ILE 101 2.409 -9.042 3.537 784 HG23 ILE 101 3HG2 ILE 101 3.621 -8.302 2.500 785 HD11 ILE 101 1HD1 ILE 101 5.963 -9.720 -0.073 786 HD12 ILE 101 2HD1 ILE 101 5.246 -8.598 1.083 787 HD13 ILE 101 3HD1 ILE 101 4.303 -9.169 -0.298 788 H ARG 102 H ARG 102 2.120 -12.099 5.214 789 HA ARG 102 HA ARG 102 -0.783 -11.584 4.854 790 HB2 ARG 102 2HB ARG 102 0.591 -13.116 7.102 791 HB3 ARG 102 3HB ARG 102 -1.145 -13.017 6.804 792 HG2 ARG 102 2HG ARG 102 0.918 -14.369 5.025 793 HG3 ARG 102 3HG ARG 102 -0.248 -15.170 6.079 794 HD2 ARG 102 2HD ARG 102 -1.075 -13.387 3.767 795 HD3 ARG 102 3HD ARG 102 -0.806 -15.120 3.604 796 HE ARG 102 HE ARG 102 -2.669 -14.414 5.691 797 HH11 ARG 102 1HH1 ARG 102 -2.347 -15.124 2.258 798 HH12 ARG 102 2HH1 ARG 102 -4.003 -15.603 2.077 799 HH21 ARG 102 1HH2 ARG 102 -4.844 -15.071 5.438 800 HH22 ARG 102 2HH2 ARG 102 -5.417 -15.574 3.879 801 H ARG 103 H ARG 103 1.733 -9.789 5.743 802 HA ARG 103 HA ARG 103 0.202 -8.258 7.757 803 HB2 ARG 103 2HB ARG 103 3.125 -9.103 7.916 804 HB3 ARG 103 3HB ARG 103 2.545 -7.679 8.776 805 HG2 ARG 103 2HG ARG 103 0.930 -9.095 10.010 806 HG3 ARG 103 3HG ARG 103 1.556 -10.523 9.178 807 HD2 ARG 103 2HD ARG 103 3.699 -10.304 10.253 808 HD3 ARG 103 3HD ARG 103 3.296 -8.697 10.873 809 HE ARG 103 HE ARG 103 1.455 -10.664 11.810 810 HH11 ARG 103 1HH1 ARG 103 4.707 -9.458 12.400 811 HH12 ARG 103 2HH1 ARG 103 4.708 -9.944 14.064 812 HH21 ARG 103 1HH2 ARG 103 1.462 -11.230 14.007 813 HH22 ARG 103 2HH2 ARG 103 2.873 -10.946 14.974 814 H VAL 104 H VAL 104 0.228 -6.118 7.503 815 HA VAL 104 HA VAL 104 2.284 -4.720 5.966 816 HB VAL 104 HB VAL 104 0.594 -5.012 4.242 817 HG11 VAL 104 1HG1 VAL 104 -1.751 -4.262 4.478 818 HG12 VAL 104 2HG1 VAL 104 -1.462 -3.889 6.180 819 HG13 VAL 104 3HG1 VAL 104 -1.361 -5.557 5.611 820 HG21 VAL 104 1HG2 VAL 104 1.685 -2.813 4.279 821 HG22 VAL 104 2HG2 VAL 104 0.436 -2.177 5.353 822 HG23 VAL 104 3HG2 VAL 104 0.024 -2.654 3.704 823 H THR 105 H THR 105 2.838 -2.862 6.987 824 HA THR 105 HA THR 105 0.980 -1.614 8.936 825 HB THR 105 HB THR 105 3.985 -2.016 9.338 826 HG1 THR 105 HG1 THR 105 1.765 -3.507 10.063 827 HG21 THR 105 1HG2 THR 105 3.177 0.065 10.402 828 HG22 THR 105 2HG2 THR 105 3.586 -1.146 11.619 829 HG23 THR 105 3HG2 THR 105 1.896 -0.843 11.214 830 H VAL 106 H VAL 106 0.451 0.259 7.911 831 HA VAL 106 HA VAL 106 2.383 1.661 6.217 832 HB VAL 106 HB VAL 106 -0.528 2.407 6.766 833 HG11 VAL 106 1HG1 VAL 106 1.377 3.281 4.559 834 HG12 VAL 106 2HG1 VAL 106 0.804 4.280 5.896 835 HG13 VAL 106 3HG1 VAL 106 -0.327 3.723 4.664 836 HG21 VAL 106 1HG2 VAL 106 -1.073 1.308 4.601 837 HG22 VAL 106 2HG2 VAL 106 -0.454 0.151 5.782 838 HG23 VAL 106 3HG2 VAL 106 0.590 0.726 4.483 839 H THR 107 H THR 107 3.656 3.187 7.073 840 HA THR 107 HA THR 107 2.804 4.699 9.477 841 HB THR 107 HB THR 107 5.625 4.022 8.523 842 HG1 THR 107 HG1 THR 107 3.956 3.040 10.604 843 HG21 THR 107 1HG2 THR 107 6.397 5.041 10.654 844 HG22 THR 107 2HG2 THR 107 4.748 5.558 11.007 845 HG23 THR 107 3HG2 THR 107 5.608 6.239 9.622 846 H GLN 108 H GLN 108 1.944 6.544 8.716 847 HA GLN 108 HA GLN 108 3.048 8.146 6.573 848 HB2 GLN 108 2HB GLN 108 0.625 8.185 7.109 849 HB3 GLN 108 3HB GLN 108 0.975 8.807 8.718 850 HG2 GLN 108 2HG GLN 108 1.963 10.862 7.624 851 HG3 GLN 108 3HG GLN 108 1.411 10.237 6.069 852 HE21 GLN 108 1HE2 GLN 108 -0.021 11.917 5.678 853 HE22 GLN 108 2HE2 GLN 108 -1.456 12.182 6.598 854 H ASN 109 H ASN 109 5.065 8.915 6.976 855 HA ASN 109 HA ASN 109 5.938 9.781 9.617 856 HB2 ASN 109 2HB ASN 109 7.397 9.600 6.944 857 HB3 ASN 109 3HB ASN 109 8.149 10.177 8.432 858 HD21 ASN 109 1HD2 ASN 109 6.769 7.357 6.826 859 HD22 ASN 109 2HD2 ASN 109 7.494 6.190 7.870 860 H GLY 110 H GLY 110 4.335 11.444 9.726 861 HA2 GLY 110 2HA GLY 110 5.045 13.977 8.363 862 HA3 GLY 110 3HA GLY 110 3.571 13.648 9.268 863 H GLY 111 H GLY 111 5.355 12.272 11.341 864 HA2 GLY 111 2HA GLY 111 7.278 13.736 12.542 865 HA3 GLY 111 3HA GLY 111 5.810 14.564 13.054 866 H SER 112 H SER 112 7.949 12.234 13.974 867 HA SER 112 HA SER 112 6.227 10.341 15.273 868 HB2 SER 112 2HB SER 112 9.160 11.022 15.805 869 HB3 SER 112 3HB SER 112 8.316 9.567 16.349 870 HG SER 112 HG SER 112 9.633 9.522 14.310 871 H LEU 113 H LEU 113 6.095 10.092 17.655 872 HA LEU 113 HA LEU 113 4.970 12.320 18.916 873 HB2 LEU 113 2HB LEU 113 4.544 9.852 19.404 874 HB3 LEU 113 3HB LEU 113 6.040 9.825 20.309 875 HG LEU 113 HG LEU 113 3.904 9.965 21.688 876 HD11 LEU 113 1HD1 LEU 113 6.044 10.566 22.712 877 HD12 LEU 113 2HD1 LEU 113 4.714 11.516 23.364 878 HD13 LEU 113 3HD1 LEU 113 5.828 12.244 22.204 879 HD21 LEU 113 1HD2 LEU 113 2.738 12.100 21.897 880 HD22 LEU 113 2HD2 LEU 113 2.645 11.492 20.247 881 HD23 LEU 113 3HD2 LEU 113 3.756 12.807 20.639 882 H GLU 114 H GLU 114 8.023 10.653 19.780 883 HA GLU 114 HA GLU 114 8.982 12.725 21.514 884 HB2 GLU 114 2HB GLU 114 10.452 10.383 20.222 885 HB3 GLU 114 3HB GLU 114 11.083 11.366 21.547 886 HG2 GLU 114 2HG GLU 114 9.345 10.549 23.050 887 HG3 GLU 114 3HG GLU 114 8.551 9.683 21.729 888 H HIS 115 H HIS 115 9.226 14.673 20.493 889 HA HIS 115 HA HIS 115 10.406 14.959 17.851 890 HB2 HIS 115 2HB HIS 115 9.576 17.125 19.831 891 HB3 HIS 115 3HB HIS 115 9.965 17.370 18.132 892 HD1 HIS 115 HD1 HIS 115 7.136 17.009 20.268 893 HD2 HIS 115 HD2 HIS 115 8.065 15.749 16.423 894 HE1 HIS 115 HE1 HIS 115 4.942 16.478 19.179 895 HE2 HIS 115 HE2 HIS 115 5.544 15.592 16.912 896 H HIS 116 H HIS 116 12.058 16.938 17.700 897 HA HIS 116 HA HIS 116 14.464 16.143 19.150 898 HB2 HIS 116 2HB HIS 116 14.524 16.533 16.681 899 HB3 HIS 116 3HB HIS 116 14.067 18.211 16.937 900 HD1 HIS 116 HD1 HIS 116 15.954 19.830 17.141 901 HD2 HIS 116 HD2 HIS 116 17.179 15.932 17.876 902 HE1 HIS 116 HE1 HIS 116 18.442 19.953 17.435 903 HE2 HIS 116 HE2 HIS 116 19.167 17.553 17.692 904 H HIS 117 H HIS 117 12.817 17.105 21.010 905 HA HIS 117 HA HIS 117 14.142 19.542 21.963 906 HB2 HIS 117 2HB HIS 117 11.089 19.243 21.897 907 HB3 HIS 117 3HB HIS 117 11.948 20.503 22.783 908 HD1 HIS 117 HD1 HIS 117 13.349 22.221 21.298 909 HD2 HIS 117 HD2 HIS 117 10.695 19.818 19.203 910 HE1 HIS 117 HE1 HIS 117 13.146 23.266 19.030 911 HE2 HIS 117 HE2 HIS 117 11.689 21.674 17.733 912 H HIS 118 H HIS 118 15.234 18.386 23.483 913 HA HIS 118 HA HIS 118 13.832 16.742 25.456 914 HB2 HIS 118 2HB HIS 118 16.173 16.430 26.423 915 HB3 HIS 118 3HB HIS 118 15.947 15.809 24.797 916 HD1 HIS 118 HD1 HIS 118 17.459 18.849 26.532 917 HD2 HIS 118 HD2 HIS 118 17.843 16.679 23.009 918 HE1 HIS 118 HE1 HIS 118 19.472 19.794 25.370 919 HE2 HIS 118 HE2 HIS 118 19.776 18.342 23.339 920 H HIS 119 H HIS 119 12.825 17.763 27.042 921 HA HIS 119 HA HIS 119 12.246 19.111 28.740 922 HB2 HIS 119 2HB HIS 119 15.234 19.689 28.867 923 HB3 HIS 119 3HB HIS 119 14.085 20.311 30.047 924 HD1 HIS 119 HD1 HIS 119 15.675 17.090 28.894 925 HD2 HIS 119 HD2 HIS 119 13.246 18.485 31.959 926 HE1 HIS 119 HE1 HIS 119 15.554 15.228 30.566 927 HE2 HIS 119 HE2 HIS 119 14.276 16.194 32.508 928 H HIS 120 H HIS 120 10.889 20.546 27.797 929 HA HIS 120 HA HIS 120 11.850 23.277 27.390 930 HB2 HIS 120 2HB HIS 120 11.921 22.434 25.090 931 HB3 HIS 120 3HB HIS 120 10.324 21.708 25.250 932 HD1 HIS 120 HD1 HIS 120 11.973 25.121 25.060 933 HD2 HIS 120 HD2 HIS 120 8.235 23.375 24.567 934 HE1 HIS 120 HE1 HIS 120 10.513 26.905 24.076 935 HE2 HIS 120 HE2 HIS 120 8.326 25.760 23.608 Start of MODEL 12 1 H1 MET 1 1H MET 1 3.435 -17.857 -5.747 2 H2 MET 1 2H MET 1 2.017 -16.934 -5.730 3 H3 MET 1 3H MET 1 2.897 -17.176 -4.307 4 HA MET 1 HA MET 1 3.957 -15.783 -6.667 5 HB2 MET 1 2HB MET 1 2.595 -14.656 -4.195 6 HB3 MET 1 3HB MET 1 3.656 -13.684 -5.212 7 HG2 MET 1 2HG MET 1 1.127 -15.062 -6.150 8 HG3 MET 1 3HG MET 1 1.288 -13.344 -5.769 9 HE1 MET 1 1HE MET 1 2.668 -11.595 -7.278 10 HE2 MET 1 2HE MET 1 3.701 -12.103 -8.616 11 HE3 MET 1 3HE MET 1 4.118 -12.551 -6.962 12 H GLN 2 H GLN 2 6.019 -16.392 -6.574 13 HA GLN 2 HA GLN 2 7.589 -16.415 -4.100 14 HB2 GLN 2 2HB GLN 2 9.456 -17.147 -5.575 15 HB3 GLN 2 3HB GLN 2 8.029 -18.159 -5.775 16 HG2 GLN 2 2HG GLN 2 7.461 -17.026 -7.869 17 HG3 GLN 2 3HG GLN 2 8.809 -15.908 -7.666 18 HE21 GLN 2 1HE2 GLN 2 8.197 -17.828 -9.822 19 HE22 GLN 2 2HE2 GLN 2 9.603 -18.824 -9.967 20 H ASP 3 H ASP 3 6.514 -14.071 -6.152 21 HA ASP 3 HA ASP 3 8.963 -12.553 -6.600 22 HB2 ASP 3 2HB ASP 3 6.070 -11.884 -7.321 23 HB3 ASP 3 3HB ASP 3 7.511 -11.099 -7.973 24 H ILE 4 H ILE 4 8.554 -12.707 -3.895 25 HA ILE 4 HA ILE 4 6.595 -11.254 -2.601 26 HB ILE 4 HB ILE 4 9.395 -11.907 -1.587 27 HG12 ILE 4 2HG1 ILE 4 8.131 -13.914 -2.355 28 HG13 ILE 4 3HG1 ILE 4 8.388 -13.950 -0.614 29 HG21 ILE 4 1HG2 ILE 4 8.397 -10.218 -0.126 30 HG22 ILE 4 2HG2 ILE 4 8.441 -11.771 0.707 31 HG23 ILE 4 3HG2 ILE 4 6.923 -11.178 0.030 32 HD11 ILE 4 1HD1 ILE 4 6.179 -14.710 -1.207 33 HD12 ILE 4 2HD1 ILE 4 5.836 -13.187 -2.023 34 HD13 ILE 4 3HD1 ILE 4 6.072 -13.221 -0.270 35 H VAL 5 H VAL 5 9.817 -10.062 -3.572 36 HA VAL 5 HA VAL 5 9.675 -7.554 -2.199 37 HB VAL 5 HB VAL 5 11.449 -8.354 -4.559 38 HG11 VAL 5 1HG1 VAL 5 11.366 -5.902 -4.258 39 HG12 VAL 5 2HG1 VAL 5 12.954 -6.535 -3.824 40 HG13 VAL 5 3HG1 VAL 5 11.806 -6.088 -2.558 41 HG21 VAL 5 1HG2 VAL 5 11.737 -9.878 -2.642 42 HG22 VAL 5 2HG2 VAL 5 12.017 -8.503 -1.570 43 HG23 VAL 5 3HG2 VAL 5 13.172 -8.870 -2.854 44 H GLU 6 H GLU 6 9.310 -8.460 -5.640 45 HA GLU 6 HA GLU 6 8.562 -5.904 -6.631 46 HB2 GLU 6 2HB GLU 6 9.421 -7.896 -7.993 47 HB3 GLU 6 3HB GLU 6 7.829 -8.619 -7.817 48 HG2 GLU 6 2HG GLU 6 7.933 -7.600 -9.992 49 HG3 GLU 6 3HG GLU 6 6.845 -6.626 -8.998 50 H ALA 7 H ALA 7 6.823 -8.506 -5.163 51 HA ALA 7 HA ALA 7 4.150 -7.841 -5.800 52 HB1 ALA 7 1HB ALA 7 4.785 -10.085 -5.062 53 HB2 ALA 7 2HB ALA 7 3.607 -9.403 -3.941 54 HB3 ALA 7 3HB ALA 7 5.315 -9.453 -3.500 55 H ALA 8 H ALA 8 6.244 -7.236 -2.992 56 HA ALA 8 HA ALA 8 4.463 -5.776 -1.392 57 HB1 ALA 8 1HB ALA 8 6.481 -4.988 -0.219 58 HB2 ALA 8 2HB ALA 8 7.491 -5.572 -1.544 59 HB3 ALA 8 3HB ALA 8 6.574 -6.718 -0.562 60 H LYS 9 H LYS 9 6.626 -4.789 -3.971 61 HA LYS 9 HA LYS 9 6.484 -1.994 -3.697 62 HB2 LYS 9 2HB LYS 9 8.288 -2.927 -4.923 63 HB3 LYS 9 3HB LYS 9 7.224 -3.860 -5.967 64 HG2 LYS 9 2HG LYS 9 6.581 -1.932 -7.215 65 HG3 LYS 9 3HG LYS 9 7.289 -0.834 -6.029 66 HD2 LYS 9 2HD LYS 9 9.528 -1.420 -6.664 67 HD3 LYS 9 3HD LYS 9 8.979 -2.819 -7.592 68 HE2 LYS 9 2HE LYS 9 8.382 0.074 -8.326 69 HE3 LYS 9 3HE LYS 9 9.665 -0.909 -9.045 70 HZ1 LYS 9 1HZ LYS 9 7.698 -0.927 -10.429 71 HZ2 LYS 9 2HZ LYS 9 6.752 -1.501 -9.148 72 HZ3 LYS 9 3HZ LYS 9 7.976 -2.478 -9.801 73 H GLN 10 H GLN 10 4.661 -4.175 -5.920 74 HA GLN 10 HA GLN 10 2.985 -2.074 -6.931 75 HB2 GLN 10 2HB GLN 10 1.673 -3.876 -8.014 76 HB3 GLN 10 3HB GLN 10 3.395 -4.026 -8.317 77 HG2 GLN 10 2HG GLN 10 3.544 -5.790 -6.587 78 HG3 GLN 10 3HG GLN 10 1.805 -5.669 -6.325 79 HE21 GLN 10 1HE2 GLN 10 0.394 -6.448 -7.953 80 HE22 GLN 10 2HE2 GLN 10 0.937 -7.538 -9.174 81 H ALA 11 H ALA 11 2.847 -4.195 -4.182 82 HA ALA 11 HA ALA 11 0.086 -4.123 -3.599 83 HB1 ALA 11 1HB ALA 11 1.600 -5.754 -2.546 84 HB2 ALA 11 2HB ALA 11 0.733 -4.825 -1.323 85 HB3 ALA 11 3HB ALA 11 2.423 -4.452 -1.682 86 H ALA 12 H ALA 12 2.837 -2.117 -2.543 87 HA ALA 12 HA ALA 12 1.539 -0.354 -0.822 88 HB1 ALA 12 1HB ALA 12 3.419 1.188 -1.263 89 HB2 ALA 12 2HB ALA 12 3.898 0.209 -2.655 90 HB3 ALA 12 3HB ALA 12 3.985 -0.471 -1.030 91 H ILE 13 H ILE 13 2.218 0.029 -4.312 92 HA ILE 13 HA ILE 13 0.975 2.518 -4.711 93 HB ILE 13 HB ILE 13 1.361 0.284 -6.770 94 HG12 ILE 13 2HG1 ILE 13 3.245 2.578 -6.025 95 HG13 ILE 13 3HG1 ILE 13 3.483 0.883 -5.613 96 HG21 ILE 13 1HG2 ILE 13 1.332 2.083 -8.474 97 HG22 ILE 13 2HG2 ILE 13 1.003 3.279 -7.216 98 HG23 ILE 13 3HG2 ILE 13 -0.187 2.027 -7.584 99 HD11 ILE 13 1HD1 ILE 13 3.487 2.049 -8.398 100 HD12 ILE 13 2HD1 ILE 13 3.694 0.343 -7.993 101 HD13 ILE 13 3HD1 ILE 13 4.887 1.524 -7.462 102 H ALA 14 H ALA 14 -0.289 -0.797 -4.978 103 HA ALA 14 HA ALA 14 -2.836 -0.240 -6.086 104 HB1 ALA 14 1HB ALA 14 -1.830 -2.479 -6.149 105 HB2 ALA 14 2HB ALA 14 -3.420 -2.531 -5.387 106 HB3 ALA 14 3HB ALA 14 -1.963 -2.605 -4.391 107 H ILE 15 H ILE 15 -1.664 -0.492 -2.763 108 HA ILE 15 HA ILE 15 -4.110 -0.304 -1.396 109 HB ILE 15 HB ILE 15 -1.228 0.269 -0.617 110 HG12 ILE 15 2HG1 ILE 15 -3.249 -1.813 0.343 111 HG13 ILE 15 3HG1 ILE 15 -1.991 -2.088 -0.854 112 HG21 ILE 15 1HG2 ILE 15 -2.473 1.918 0.697 113 HG22 ILE 15 2HG2 ILE 15 -1.873 0.634 1.745 114 HG23 ILE 15 3HG2 ILE 15 -3.573 0.662 1.274 115 HD11 ILE 15 1HD1 ILE 15 -1.388 -3.043 1.274 116 HD12 ILE 15 2HD1 ILE 15 -1.562 -1.482 2.071 117 HD13 ILE 15 3HD1 ILE 15 -0.287 -1.726 0.873 118 H PHE 16 H PHE 16 -1.981 2.170 -2.753 119 HA PHE 16 HA PHE 16 -3.455 4.381 -1.589 120 HB2 PHE 16 2HB PHE 16 -1.298 4.443 -3.741 121 HB3 PHE 16 3HB PHE 16 -1.877 5.820 -2.797 122 HD1 PHE 16 HD1 PHE 16 -2.016 4.652 -0.055 123 HD2 PHE 16 HD2 PHE 16 0.969 4.233 -3.096 124 HE1 PHE 16 HE1 PHE 16 -0.323 4.188 1.662 125 HE2 PHE 16 HE2 PHE 16 2.636 3.769 -1.373 126 HZ PHE 16 HZ PHE 16 2.003 3.746 0.998 127 H GLN 17 H GLN 17 -3.420 2.655 -4.664 128 HA GLN 17 HA GLN 17 -5.037 4.448 -6.174 129 HB2 GLN 17 2HB GLN 17 -4.561 1.450 -6.464 130 HB3 GLN 17 3HB GLN 17 -5.505 2.393 -7.619 131 HG2 GLN 17 2HG GLN 17 -3.551 3.762 -8.139 132 HG3 GLN 17 3HG GLN 17 -2.591 2.897 -6.944 133 HE21 GLN 17 1HE2 GLN 17 -1.906 0.772 -7.415 134 HE22 GLN 17 2HE2 GLN 17 -1.957 0.125 -9.014 135 H LEU 18 H LEU 18 -5.753 1.758 -3.981 136 HA LEU 18 HA LEU 18 -8.599 1.922 -4.218 137 HB2 LEU 18 2HB LEU 18 -6.783 0.723 -2.109 138 HB3 LEU 18 3HB LEU 18 -8.529 0.733 -1.914 139 HG LEU 18 HG LEU 18 -7.015 -0.650 -4.164 140 HD11 LEU 18 1HD1 LEU 18 -7.704 -2.735 -3.118 141 HD12 LEU 18 2HD1 LEU 18 -8.460 -1.850 -1.789 142 HD13 LEU 18 3HD1 LEU 18 -6.708 -1.782 -2.023 143 HD21 LEU 18 1HD2 LEU 18 -9.996 -0.641 -3.560 144 HD22 LEU 18 2HD2 LEU 18 -9.188 -1.618 -4.794 145 HD23 LEU 18 3HD2 LEU 18 -9.206 0.138 -4.937 146 H TRP 19 H TRP 19 -6.218 3.308 -1.920 147 HA TRP 19 HA TRP 19 -7.997 4.519 -0.139 148 HB2 TRP 19 2HB TRP 19 -5.113 5.053 -0.842 149 HB3 TRP 19 3HB TRP 19 -5.943 6.150 0.248 150 HD1 TRP 19 HD1 TRP 19 -7.110 2.669 0.932 151 HE1 TRP 19 HE1 TRP 19 -5.904 1.746 3.005 152 HE3 TRP 19 HE3 TRP 19 -3.464 6.221 1.398 153 HZ2 TRP 19 HZ2 TRP 19 -3.711 2.431 4.634 154 HZ3 TRP 19 HZ3 TRP 19 -1.849 6.026 3.252 155 HH2 TRP 19 HH2 TRP 19 -1.970 4.164 4.840 156 H LYS 20 H LYS 20 -7.004 5.643 -3.312 157 HA LYS 20 HA LYS 20 -8.403 8.217 -2.925 158 HB2 LYS 20 2HB LYS 20 -7.323 8.967 -4.978 159 HB3 LYS 20 3HB LYS 20 -6.126 8.326 -3.855 160 HG2 LYS 20 2HG LYS 20 -6.229 6.142 -5.198 161 HG3 LYS 20 3HG LYS 20 -7.170 7.032 -6.400 162 HD2 LYS 20 2HD LYS 20 -4.344 7.742 -5.484 163 HD3 LYS 20 3HD LYS 20 -4.747 6.906 -6.985 164 HE2 LYS 20 2HE LYS 20 -5.906 8.874 -7.827 165 HE3 LYS 20 3HE LYS 20 -5.705 9.704 -6.285 166 HZ1 LYS 20 1HZ LYS 20 -3.297 9.614 -6.635 167 HZ2 LYS 20 2HZ LYS 20 -4.094 10.500 -7.826 168 HZ3 LYS 20 3HZ LYS 20 -3.545 8.935 -8.161 169 H ASN 21 H ASN 21 -8.908 5.112 -4.285 170 HA ASN 21 HA ASN 21 -11.552 5.808 -5.254 171 HB2 ASN 21 2HB ASN 21 -10.194 6.309 -7.267 172 HB3 ASN 21 3HB ASN 21 -9.464 4.713 -7.202 173 HD21 ASN 21 1HD2 ASN 21 -10.696 2.920 -7.881 174 HD22 ASN 21 2HD2 ASN 21 -12.162 3.084 -8.773 175 HA PRO 22 HA PRO 22 -11.257 1.778 -2.869 176 HB2 PRO 22 2HB PRO 22 -13.988 1.733 -2.206 177 HB3 PRO 22 3HB PRO 22 -12.746 2.595 -1.275 178 HG2 PRO 22 2HG PRO 22 -14.604 3.682 -3.380 179 HG3 PRO 22 3HG PRO 22 -14.178 4.368 -1.791 180 HD2 PRO 22 2HD PRO 22 -13.011 5.323 -4.000 181 HD3 PRO 22 3HD PRO 22 -12.050 5.099 -2.524 182 H THR 23 H THR 23 -13.254 2.644 -5.541 183 HA THR 23 HA THR 23 -14.543 0.091 -5.916 184 HB THR 23 HB THR 23 -15.495 1.239 -7.954 185 HG1 THR 23 HG1 THR 23 -14.669 3.082 -8.613 186 HG21 THR 23 1HG2 THR 23 -16.821 2.939 -6.736 187 HG22 THR 23 2HG2 THR 23 -15.689 2.873 -5.385 188 HG23 THR 23 3HG2 THR 23 -16.674 1.461 -5.780 189 H ASP 24 H ASP 24 -11.405 1.070 -6.571 190 HA ASP 24 HA ASP 24 -11.005 0.235 -9.260 191 HB2 ASP 24 2HB ASP 24 -9.435 1.711 -7.846 192 HB3 ASP 24 3HB ASP 24 -8.855 0.229 -7.101 193 HA PRO 25 HA PRO 25 -11.391 -4.153 -8.141 194 HB2 PRO 25 2HB PRO 25 -11.666 -5.195 -10.632 195 HB3 PRO 25 3HB PRO 25 -12.951 -4.213 -9.894 196 HG2 PRO 25 2HG PRO 25 -10.896 -3.400 -11.931 197 HG3 PRO 25 3HG PRO 25 -12.631 -3.013 -11.869 198 HD2 PRO 25 2HD PRO 25 -10.640 -1.287 -10.997 199 HD3 PRO 25 3HD PRO 25 -12.315 -1.240 -10.407 200 H GLU 26 H GLU 26 -8.940 -2.837 -10.308 201 HA GLU 26 HA GLU 26 -7.428 -5.229 -10.722 202 HB2 GLU 26 2HB GLU 26 -6.700 -2.290 -11.069 203 HB3 GLU 26 3HB GLU 26 -5.679 -3.627 -11.600 204 HG2 GLU 26 2HG GLU 26 -8.515 -3.185 -12.596 205 HG3 GLU 26 3HG GLU 26 -7.084 -2.527 -13.398 206 H ALA 27 H ALA 27 -7.236 -2.522 -8.482 207 HA ALA 27 HA ALA 27 -4.682 -3.036 -7.374 208 HB1 ALA 27 1HB ALA 27 -5.327 -1.332 -5.701 209 HB2 ALA 27 2HB ALA 27 -7.002 -1.411 -6.260 210 HB3 ALA 27 3HB ALA 27 -5.740 -0.814 -7.338 211 H GLN 28 H GLN 28 -7.989 -3.639 -6.130 212 HA GLN 28 HA GLN 28 -7.159 -4.940 -3.737 213 HB2 GLN 28 2HB GLN 28 -9.562 -5.601 -3.507 214 HB3 GLN 28 3HB GLN 28 -9.333 -3.880 -3.810 215 HG2 GLN 28 2HG GLN 28 -9.915 -4.240 -6.200 216 HG3 GLN 28 3HG GLN 28 -10.198 -5.946 -5.860 217 HE21 GLN 28 1HE2 GLN 28 -11.392 -2.682 -5.377 218 HE22 GLN 28 2HE2 GLN 28 -12.977 -3.134 -4.858 219 H GLU 29 H GLU 29 -7.731 -6.121 -7.007 220 HA GLU 29 HA GLU 29 -8.058 -8.889 -6.356 221 HB2 GLU 29 2HB GLU 29 -8.822 -7.886 -8.512 222 HB3 GLU 29 3HB GLU 29 -7.142 -7.668 -9.001 223 HG2 GLU 29 2HG GLU 29 -6.819 -10.139 -8.899 224 HG3 GLU 29 3HG GLU 29 -8.512 -10.326 -8.444 225 H LEU 30 H LEU 30 -5.215 -6.958 -7.469 226 HA LEU 30 HA LEU 30 -3.432 -9.167 -7.452 227 HB2 LEU 30 2HB LEU 30 -1.631 -7.613 -7.804 228 HB3 LEU 30 3HB LEU 30 -3.002 -7.125 -8.770 229 HG LEU 30 HG LEU 30 -3.404 -5.367 -6.801 230 HD11 LEU 30 1HD1 LEU 30 -0.440 -5.916 -6.448 231 HD12 LEU 30 2HD1 LEU 30 -1.708 -6.180 -5.248 232 HD13 LEU 30 3HD1 LEU 30 -1.321 -4.545 -5.770 233 HD21 LEU 30 1HD2 LEU 30 -2.892 -4.743 -9.119 234 HD22 LEU 30 2HD2 LEU 30 -1.167 -4.983 -8.819 235 HD23 LEU 30 3HD2 LEU 30 -2.045 -3.700 -7.977 236 H LEU 31 H LEU 31 -4.453 -6.879 -4.984 237 HA LEU 31 HA LEU 31 -2.579 -7.492 -2.951 238 HB2 LEU 31 2HB LEU 31 -5.410 -6.390 -2.825 239 HB3 LEU 31 3HB LEU 31 -4.456 -6.650 -1.374 240 HG LEU 31 HG LEU 31 -3.703 -4.761 -3.640 241 HD11 LEU 31 1HD1 LEU 31 -5.625 -3.935 -2.361 242 HD12 LEU 31 2HD1 LEU 31 -4.189 -2.957 -2.067 243 HD13 LEU 31 3HD1 LEU 31 -4.718 -4.127 -0.855 244 HD21 LEU 31 1HD2 LEU 31 -2.336 -5.255 -0.973 245 HD22 LEU 31 2HD2 LEU 31 -1.911 -3.989 -2.130 246 HD23 LEU 31 3HD2 LEU 31 -1.708 -5.682 -2.569 247 H ASN 32 H ASN 32 -5.540 -9.170 -3.971 248 HA ASN 32 HA ASN 32 -5.707 -10.983 -1.765 249 HB2 ASN 32 2HB ASN 32 -7.536 -10.540 -3.491 250 HB3 ASN 32 3HB ASN 32 -6.611 -11.502 -4.633 251 HD21 ASN 32 1HD2 ASN 32 -9.271 -12.000 -3.698 252 HD22 ASN 32 2HD2 ASN 32 -9.280 -13.528 -2.914 253 H LYS 33 H LYS 33 -4.021 -10.945 -4.832 254 HA LYS 33 HA LYS 33 -3.292 -13.714 -4.852 255 HB2 LYS 33 2HB LYS 33 -2.345 -11.380 -6.573 256 HB3 LYS 33 3HB LYS 33 -2.051 -13.087 -6.922 257 HG2 LYS 33 2HG LYS 33 -4.479 -13.477 -7.163 258 HG3 LYS 33 3HG LYS 33 -4.812 -11.798 -6.747 259 HD2 LYS 33 2HD LYS 33 -5.013 -12.064 -9.142 260 HD3 LYS 33 3HD LYS 33 -3.585 -11.084 -8.802 261 HE2 LYS 33 2HE LYS 33 -3.147 -12.724 -10.584 262 HE3 LYS 33 3HE LYS 33 -2.140 -13.053 -9.174 263 HZ1 LYS 33 1HZ LYS 33 -3.714 -14.799 -8.530 264 HZ2 LYS 33 2HZ LYS 33 -3.065 -15.083 -10.062 265 HZ3 LYS 33 3HZ LYS 33 -4.641 -14.493 -9.915 266 H ILE 34 H ILE 34 -1.788 -10.830 -3.511 267 HA ILE 34 HA ILE 34 0.724 -12.380 -3.014 268 HB ILE 34 HB ILE 34 1.919 -10.174 -2.889 269 HG12 ILE 34 2HG1 ILE 34 -0.768 -9.064 -3.817 270 HG13 ILE 34 3HG1 ILE 34 0.158 -8.578 -2.415 271 HG21 ILE 34 1HG2 ILE 34 0.541 -10.787 -5.527 272 HG22 ILE 34 2HG2 ILE 34 1.997 -11.565 -4.905 273 HG23 ILE 34 3HG2 ILE 34 2.030 -9.857 -5.337 274 HD11 ILE 34 1HD1 ILE 34 0.875 -8.044 -5.295 275 HD12 ILE 34 2HD1 ILE 34 1.844 -7.591 -3.889 276 HD13 ILE 34 3HD1 ILE 34 0.244 -6.892 -4.119 277 H LEU 35 H LEU 35 -1.241 -9.743 -1.547 278 HA LEU 35 HA LEU 35 -0.334 -10.379 1.152 279 HB2 LEU 35 2HB LEU 35 -2.238 -8.348 -0.053 280 HB3 LEU 35 3HB LEU 35 -2.373 -8.702 1.653 281 HG LEU 35 HG LEU 35 -1.055 -6.629 1.074 282 HD11 LEU 35 1HD1 LEU 35 -0.877 -7.638 3.271 283 HD12 LEU 35 2HD1 LEU 35 0.676 -6.981 2.766 284 HD13 LEU 35 3HD1 LEU 35 0.400 -8.725 2.710 285 HD21 LEU 35 1HD2 LEU 35 0.159 -7.472 -0.890 286 HD22 LEU 35 2HD2 LEU 35 1.084 -8.572 0.139 287 HD23 LEU 35 3HD2 LEU 35 1.258 -6.824 0.323 288 H SER 36 H SER 36 -2.008 -10.932 2.832 289 HA SER 36 HA SER 36 -3.680 -13.099 2.154 290 HB2 SER 36 2HB SER 36 -3.794 -11.264 4.589 291 HB3 SER 36 3HB SER 36 -4.595 -12.836 4.458 292 HG SER 36 HG SER 36 -1.848 -12.729 3.935 293 HA PRO 37 HA PRO 37 -7.224 -11.086 0.282 294 HB2 PRO 37 2HB PRO 37 -9.271 -12.822 1.078 295 HB3 PRO 37 3HB PRO 37 -8.153 -13.128 -0.271 296 HG2 PRO 37 2HG PRO 37 -8.012 -14.138 2.560 297 HG3 PRO 37 3HG PRO 37 -7.720 -15.011 1.037 298 HD2 PRO 37 2HD PRO 37 -5.663 -14.145 2.539 299 HD3 PRO 37 3HD PRO 37 -5.572 -14.090 0.764 300 H ASP 38 H ASP 38 -6.977 -11.448 3.702 301 HA ASP 38 HA ASP 38 -9.264 -9.950 4.542 302 HB2 ASP 38 2HB ASP 38 -6.588 -10.200 5.990 303 HB3 ASP 38 3HB ASP 38 -8.158 -9.843 6.710 304 H VAL 39 H VAL 39 -6.011 -9.117 3.513 305 HA VAL 39 HA VAL 39 -5.826 -6.527 4.646 306 HB VAL 39 HB VAL 39 -4.189 -7.767 2.383 307 HG11 VAL 39 1HG1 VAL 39 -3.896 -5.327 2.390 308 HG12 VAL 39 2HG1 VAL 39 -2.430 -6.105 2.991 309 HG13 VAL 39 3HG1 VAL 39 -3.554 -5.347 4.123 310 HG21 VAL 39 1HG2 VAL 39 -3.634 -7.691 5.383 311 HG22 VAL 39 2HG2 VAL 39 -2.536 -8.333 4.156 312 HG23 VAL 39 3HG2 VAL 39 -4.089 -9.120 4.447 313 H LEU 40 H LEU 40 -6.845 -7.653 1.397 314 HA LEU 40 HA LEU 40 -6.842 -5.130 0.131 315 HB2 LEU 40 2HB LEU 40 -8.154 -6.148 -1.624 316 HB3 LEU 40 3HB LEU 40 -6.937 -7.280 -1.076 317 HG LEU 40 HG LEU 40 -8.995 -8.230 0.404 318 HD11 LEU 40 1HD1 LEU 40 -11.129 -8.187 -0.773 319 HD12 LEU 40 2HD1 LEU 40 -10.468 -7.072 -1.976 320 HD13 LEU 40 3HD1 LEU 40 -10.638 -6.566 -0.294 321 HD21 LEU 40 1HD2 LEU 40 -7.693 -9.542 -1.191 322 HD22 LEU 40 2HD2 LEU 40 -8.659 -8.904 -2.526 323 HD23 LEU 40 3HD2 LEU 40 -9.410 -9.923 -1.290 324 H ASP 41 H ASP 41 -9.100 -6.667 2.273 325 HA ASP 41 HA ASP 41 -11.454 -5.181 1.711 326 HB2 ASP 41 2HB ASP 41 -11.413 -7.417 2.883 327 HB3 ASP 41 3HB ASP 41 -10.711 -6.643 4.297 328 H GLN 42 H GLN 42 -9.132 -4.984 4.458 329 HA GLN 42 HA GLN 42 -10.272 -2.772 5.733 330 HB2 GLN 42 2HB GLN 42 -8.176 -2.566 6.995 331 HB3 GLN 42 3HB GLN 42 -8.632 -4.258 6.843 332 HG2 GLN 42 2HG GLN 42 -6.949 -4.601 5.115 333 HG3 GLN 42 3HG GLN 42 -6.546 -2.887 5.115 334 HE21 GLN 42 1HE2 GLN 42 -4.384 -3.326 5.567 335 HE22 GLN 42 2HE2 GLN 42 -3.843 -3.866 7.117 336 H VAL 43 H VAL 43 -8.073 -2.909 3.021 337 HA VAL 43 HA VAL 43 -7.151 -0.192 3.129 338 HB VAL 43 HB VAL 43 -6.954 -2.364 0.992 339 HG11 VAL 43 1HG1 VAL 43 -5.287 -0.932 -0.148 340 HG12 VAL 43 2HG1 VAL 43 -5.624 0.374 0.993 341 HG13 VAL 43 3HG1 VAL 43 -6.876 -0.169 -0.127 342 HG21 VAL 43 1HG2 VAL 43 -5.654 -2.785 3.069 343 HG22 VAL 43 2HG2 VAL 43 -4.858 -1.219 2.898 344 HG23 VAL 43 3HG2 VAL 43 -4.578 -2.484 1.699 345 H ARG 44 H ARG 44 -9.502 -1.918 0.990 346 HA ARG 44 HA ARG 44 -10.212 0.410 -0.497 347 HB2 ARG 44 2HB ARG 44 -12.098 -0.899 -1.390 348 HB3 ARG 44 3HB ARG 44 -10.596 -1.819 -1.433 349 HG2 ARG 44 2HG ARG 44 -11.272 -3.188 0.432 350 HG3 ARG 44 3HG ARG 44 -12.660 -2.151 0.774 351 HD2 ARG 44 2HD ARG 44 -12.304 -3.807 -1.749 352 HD3 ARG 44 3HD ARG 44 -13.287 -4.278 -0.354 353 HE ARG 44 HE ARG 44 -14.321 -1.873 -0.948 354 HH11 ARG 44 1HH1 ARG 44 -13.698 -4.659 -3.019 355 HH12 ARG 44 2HH1 ARG 44 -14.994 -4.276 -4.102 356 HH21 ARG 44 1HH2 ARG 44 -15.998 -1.398 -2.402 357 HH22 ARG 44 2HH2 ARG 44 -16.290 -2.437 -3.757 358 H GLU 45 H GLU 45 -11.306 -0.864 2.562 359 HA GLU 45 HA GLU 45 -13.610 0.909 2.724 360 HB2 GLU 45 2HB GLU 45 -12.374 -0.924 4.819 361 HB3 GLU 45 3HB GLU 45 -13.916 -0.080 4.972 362 HG2 GLU 45 2HG GLU 45 -13.235 -2.280 2.984 363 HG3 GLU 45 3HG GLU 45 -14.290 -2.415 4.389 364 H HIS 46 H HIS 46 -10.249 0.874 3.722 365 HA HIS 46 HA HIS 46 -10.231 3.081 5.517 366 HB2 HIS 46 2HB HIS 46 -8.354 1.347 5.072 367 HB3 HIS 46 3HB HIS 46 -7.949 2.282 3.645 368 HD1 HIS 46 HD1 HIS 46 -7.018 1.863 7.026 369 HD2 HIS 46 HD2 HIS 46 -7.273 5.142 4.490 370 HE1 HIS 46 HE1 HIS 46 -5.536 3.607 8.034 371 HE2 HIS 46 HE2 HIS 46 -5.952 5.655 6.640 372 H ALA 47 H ALA 47 -10.267 2.734 2.079 373 HA ALA 47 HA ALA 47 -9.493 5.215 1.083 374 HB1 ALA 47 1HB ALA 47 -10.765 4.557 -0.907 375 HB2 ALA 47 2HB ALA 47 -11.580 3.293 0.019 376 HB3 ALA 47 3HB ALA 47 -9.840 3.193 -0.269 377 H ARG 48 H ARG 48 -12.624 4.077 2.252 378 HA ARG 48 HA ARG 48 -14.303 6.123 1.353 379 HB2 ARG 48 2HB ARG 48 -14.554 4.348 3.825 380 HB3 ARG 48 3HB ARG 48 -15.868 5.311 3.147 381 HG2 ARG 48 2HG ARG 48 -15.946 3.984 1.150 382 HG3 ARG 48 3HG ARG 48 -14.423 3.179 1.533 383 HD2 ARG 48 2HD ARG 48 -16.356 1.709 1.936 384 HD3 ARG 48 3HD ARG 48 -15.458 2.040 3.420 385 HE ARG 48 HE ARG 48 -17.638 3.862 3.098 386 HH11 ARG 48 1HH1 ARG 48 -16.943 0.536 4.094 387 HH12 ARG 48 2HH1 ARG 48 -18.339 0.441 5.110 388 HH21 ARG 48 1HH2 ARG 48 -19.432 3.680 4.468 389 HH22 ARG 48 2HH2 ARG 48 -19.731 2.201 5.322 390 H GLU 49 H GLU 49 -12.210 5.933 4.183 391 HA GLU 49 HA GLU 49 -13.078 8.187 5.660 392 HB2 GLU 49 2HB GLU 49 -10.277 6.976 5.470 393 HB3 GLU 49 3HB GLU 49 -10.821 8.090 6.727 394 HG2 GLU 49 2HG GLU 49 -12.414 6.431 7.549 395 HG3 GLU 49 3HG GLU 49 -11.977 5.326 6.239 396 H LEU 50 H LEU 50 -10.470 7.779 3.264 397 HA LEU 50 HA LEU 50 -9.629 10.525 3.317 398 HB2 LEU 50 2HB LEU 50 -8.930 8.376 1.277 399 HB3 LEU 50 3HB LEU 50 -8.059 9.882 1.551 400 HG LEU 50 HG LEU 50 -8.221 7.500 3.448 401 HD11 LEU 50 1HD1 LEU 50 -5.866 8.654 1.936 402 HD12 LEU 50 2HD1 LEU 50 -6.715 7.151 1.570 403 HD13 LEU 50 3HD1 LEU 50 -5.818 7.302 3.076 404 HD21 LEU 50 1HD2 LEU 50 -6.801 10.144 3.907 405 HD22 LEU 50 2HD2 LEU 50 -6.703 8.712 4.937 406 HD23 LEU 50 3HD2 LEU 50 -8.231 9.563 4.765 407 H GLN 51 H GLN 51 -12.049 8.791 1.624 408 HA GLN 51 HA GLN 51 -12.421 10.506 -0.634 409 HB2 GLN 51 2HB GLN 51 -13.256 8.138 -0.493 410 HB3 GLN 51 3HB GLN 51 -14.397 8.634 0.754 411 HG2 GLN 51 2HG GLN 51 -15.433 10.197 -0.946 412 HG3 GLN 51 3HG GLN 51 -14.383 9.480 -2.162 413 HE21 GLN 51 1HE2 GLN 51 -14.744 7.308 -2.787 414 HE22 GLN 51 2HE2 GLN 51 -16.245 6.516 -2.462 415 H LYS 52 H LYS 52 -13.896 10.241 2.639 416 HA LYS 52 HA LYS 52 -15.735 12.391 2.488 417 HB2 LYS 52 2HB LYS 52 -14.188 11.570 4.993 418 HB3 LYS 52 3HB LYS 52 -15.729 12.419 4.943 419 HG2 LYS 52 2HG LYS 52 -15.227 9.542 4.140 420 HG3 LYS 52 3HG LYS 52 -15.990 10.088 5.632 421 HD2 LYS 52 2HD LYS 52 -17.879 11.018 4.322 422 HD3 LYS 52 3HD LYS 52 -17.104 10.496 2.821 423 HE2 LYS 52 2HE LYS 52 -17.259 8.132 3.582 424 HE3 LYS 52 3HE LYS 52 -18.065 8.670 5.059 425 HZ1 LYS 52 1HZ LYS 52 -19.852 9.555 3.695 426 HZ2 LYS 52 2HZ LYS 52 -19.651 7.902 3.433 427 HZ3 LYS 52 3HZ LYS 52 -19.081 9.017 2.296 428 H GLN 53 H GLN 53 -12.356 12.195 3.440 429 HA GLN 53 HA GLN 53 -11.981 14.935 4.166 430 HB2 GLN 53 2HB GLN 53 -10.019 12.672 3.579 431 HB3 GLN 53 3HB GLN 53 -9.520 14.261 4.161 432 HG2 GLN 53 2HG GLN 53 -10.743 13.947 6.229 433 HG3 GLN 53 3HG GLN 53 -11.414 12.422 5.661 434 HE21 GLN 53 1HE2 GLN 53 -10.131 10.586 5.710 435 HE22 GLN 53 2HE2 GLN 53 -8.603 10.524 6.510 436 H GLY 54 H GLY 54 -11.748 13.153 1.177 437 HA2 GLY 54 2HA GLY 54 -11.416 13.771 -0.989 438 HA3 GLY 54 3HA GLY 54 -11.661 15.436 -0.488 439 H ILE 55 H ILE 55 -9.127 13.130 0.499 440 HA ILE 55 HA ILE 55 -7.041 15.095 0.045 441 HB ILE 55 HB ILE 55 -6.785 12.171 0.928 442 HG12 ILE 55 2HG1 ILE 55 -6.800 14.756 2.558 443 HG13 ILE 55 3HG1 ILE 55 -8.085 13.556 2.521 444 HG21 ILE 55 1HG2 ILE 55 -4.702 14.403 1.001 445 HG22 ILE 55 2HG2 ILE 55 -4.670 12.992 -0.061 446 HG23 ILE 55 3HG2 ILE 55 -4.497 12.786 1.681 447 HD11 ILE 55 1HD1 ILE 55 -5.310 13.159 3.639 448 HD12 ILE 55 2HD1 ILE 55 -6.581 11.932 3.576 449 HD13 ILE 55 3HD1 ILE 55 -6.805 13.384 4.548 450 H HIS 56 H HIS 56 -6.233 15.436 -1.936 451 HA HIS 56 HA HIS 56 -6.281 13.397 -4.048 452 HB2 HIS 56 2HB HIS 56 -7.011 15.723 -4.568 453 HB3 HIS 56 3HB HIS 56 -5.440 16.339 -4.066 454 HD1 HIS 56 HD1 HIS 56 -7.181 14.664 -6.904 455 HD2 HIS 56 HD2 HIS 56 -3.336 15.880 -5.934 456 HE1 HIS 56 HE1 HIS 56 -5.889 14.583 -9.046 457 HE2 HIS 56 HE2 HIS 56 -3.522 15.053 -8.363 458 H PHE 57 H PHE 57 -4.514 11.997 -4.085 459 HA PHE 57 HA PHE 57 -1.817 13.098 -3.774 460 HB2 PHE 57 2HB PHE 57 -1.122 11.485 -2.067 461 HB3 PHE 57 3HB PHE 57 -2.444 12.474 -1.472 462 HD1 PHE 57 HD1 PHE 57 -1.280 9.105 -2.016 463 HD2 PHE 57 HD2 PHE 57 -4.824 11.455 -1.458 464 HE1 PHE 57 HE1 PHE 57 -2.536 7.089 -1.399 465 HE2 PHE 57 HE2 PHE 57 -6.059 9.420 -0.843 466 HZ PHE 57 HZ PHE 57 -4.910 7.254 -0.822 467 H GLU 58 H GLU 58 -0.389 12.166 -5.061 468 HA GLU 58 HA GLU 58 -1.037 9.606 -6.411 469 HB2 GLU 58 2HB GLU 58 0.500 12.019 -7.469 470 HB3 GLU 58 3HB GLU 58 0.574 10.444 -8.239 471 HG2 GLU 58 2HG GLU 58 -0.992 11.695 -9.499 472 HG3 GLU 58 3HG GLU 58 -1.948 10.573 -8.527 473 H VAL 59 H VAL 59 0.657 8.183 -6.804 474 HA VAL 59 HA VAL 59 2.673 7.972 -4.758 475 HB VAL 59 HB VAL 59 2.218 6.211 -7.217 476 HG11 VAL 59 1HG1 VAL 59 4.451 5.872 -6.253 477 HG12 VAL 59 2HG1 VAL 59 3.436 4.463 -5.940 478 HG13 VAL 59 3HG1 VAL 59 3.748 5.631 -4.652 479 HG21 VAL 59 1HG2 VAL 59 0.181 6.299 -5.816 480 HG22 VAL 59 2HG2 VAL 59 1.124 5.829 -4.398 481 HG23 VAL 59 3HG2 VAL 59 0.931 4.703 -5.745 482 H LYS 60 H LYS 60 4.710 8.764 -4.891 483 HA LYS 60 HA LYS 60 5.629 9.964 -7.442 484 HB2 LYS 60 2HB LYS 60 6.616 10.579 -4.616 485 HB3 LYS 60 3HB LYS 60 6.949 11.499 -6.084 486 HG2 LYS 60 2HG LYS 60 4.272 11.234 -4.667 487 HG3 LYS 60 3HG LYS 60 5.308 12.664 -4.716 488 HD2 LYS 60 2HD LYS 60 3.937 11.403 -7.137 489 HD3 LYS 60 3HD LYS 60 3.348 12.813 -6.258 490 HE2 LYS 60 2HE LYS 60 5.385 14.064 -6.891 491 HE3 LYS 60 3HE LYS 60 5.983 12.651 -7.766 492 HZ1 LYS 60 1HZ LYS 60 4.955 14.227 -9.258 493 HZ2 LYS 60 2HZ LYS 60 3.512 14.171 -8.383 494 HZ3 LYS 60 3HZ LYS 60 4.045 12.799 -9.217 495 H ARG 61 H ARG 61 6.920 8.253 -4.593 496 HA ARG 61 HA ARG 61 9.169 7.157 -6.198 497 HB2 ARG 61 2HB ARG 61 10.003 9.100 -4.900 498 HB3 ARG 61 3HB ARG 61 9.311 8.447 -3.421 499 HG2 ARG 61 2HG ARG 61 11.648 7.998 -3.323 500 HG3 ARG 61 3HG ARG 61 10.870 6.459 -3.680 501 HD2 ARG 61 2HD ARG 61 12.732 6.500 -5.114 502 HD3 ARG 61 3HD ARG 61 11.397 6.971 -6.167 503 HE ARG 61 HE ARG 61 12.143 9.286 -5.946 504 HH11 ARG 61 1HH1 ARG 61 14.465 6.812 -4.984 505 HH12 ARG 61 2HH1 ARG 61 15.842 7.841 -5.209 506 HH21 ARG 61 1HH2 ARG 61 13.988 10.637 -6.213 507 HH22 ARG 61 2HH2 ARG 61 15.571 10.000 -5.905 508 H VAL 62 H VAL 62 9.228 4.964 -5.963 509 HA VAL 62 HA VAL 62 8.197 3.723 -3.456 510 HB VAL 62 HB VAL 62 8.154 2.413 -6.224 511 HG11 VAL 62 1HG1 VAL 62 6.736 0.691 -5.121 512 HG12 VAL 62 2HG1 VAL 62 6.919 1.536 -3.582 513 HG13 VAL 62 3HG1 VAL 62 8.325 0.804 -4.357 514 HG21 VAL 62 1HG2 VAL 62 5.708 2.720 -6.197 515 HG22 VAL 62 2HG2 VAL 62 6.548 4.273 -6.175 516 HG23 VAL 62 3HG2 VAL 62 5.840 3.634 -4.690 517 H GLU 63 H GLU 63 9.972 3.125 -2.348 518 HA GLU 63 HA GLU 63 12.231 1.804 -3.772 519 HB2 GLU 63 2HB GLU 63 12.350 3.506 -1.234 520 HB3 GLU 63 3HB GLU 63 13.722 2.696 -2.007 521 HG2 GLU 63 2HG GLU 63 13.397 4.076 -4.025 522 HG3 GLU 63 3HG GLU 63 12.024 4.872 -3.263 523 H VAL 64 H VAL 64 12.076 -0.270 -3.395 524 HA VAL 64 HA VAL 64 10.841 -1.300 -0.907 525 HB VAL 64 HB VAL 64 9.569 -1.855 -2.904 526 HG11 VAL 64 1HG1 VAL 64 11.298 -1.663 -4.645 527 HG12 VAL 64 2HG1 VAL 64 10.420 -3.186 -4.795 528 HG13 VAL 64 3HG1 VAL 64 12.042 -3.168 -4.095 529 HG21 VAL 64 1HG2 VAL 64 9.468 -4.308 -2.735 530 HG22 VAL 64 2HG2 VAL 64 9.644 -3.561 -1.147 531 HG23 VAL 64 3HG2 VAL 64 11.035 -4.324 -1.920 532 H THR 65 H THR 65 12.326 -1.912 0.521 533 HA THR 65 HA THR 65 14.816 -3.285 -0.343 534 HB THR 65 HB THR 65 15.367 -0.998 0.404 535 HG1 THR 65 HG1 THR 65 17.039 -2.152 1.030 536 HG21 THR 65 1HG2 THR 65 14.062 -1.736 3.055 537 HG22 THR 65 2HG2 THR 65 13.480 -0.519 1.914 538 HG23 THR 65 3HG2 THR 65 15.012 -0.278 2.757 539 H THR 66 H THR 66 15.446 -5.060 0.908 540 HA THR 66 HA THR 66 13.365 -6.203 2.649 541 HB THR 66 HB THR 66 14.766 -8.316 2.443 542 HG1 THR 66 HG1 THR 66 16.718 -6.994 1.850 543 HG21 THR 66 1HG2 THR 66 14.117 -8.781 0.108 544 HG22 THR 66 2HG2 THR 66 13.872 -7.058 -0.175 545 HG23 THR 66 3HG2 THR 66 12.827 -7.918 0.958 546 H ASP 67 H ASP 67 13.541 -6.119 4.769 547 HA ASP 67 HA ASP 67 16.166 -5.767 6.114 548 HB2 ASP 67 2HB ASP 67 14.673 -3.833 6.489 549 HB3 ASP 67 3HB ASP 67 13.375 -4.900 7.020 550 H GLY 68 H GLY 68 16.752 -7.827 6.536 551 HA2 GLY 68 2HA GLY 68 16.788 -9.958 7.381 552 HA3 GLY 68 3HA GLY 68 15.369 -9.550 8.348 553 H ASN 69 H ASN 69 13.549 -10.598 7.823 554 HA ASN 69 HA ASN 69 13.155 -11.714 5.097 555 HB2 ASN 69 2HB ASN 69 11.748 -12.418 7.721 556 HB3 ASN 69 3HB ASN 69 11.400 -13.151 6.156 557 HD21 ASN 69 1HD2 ASN 69 13.680 -12.953 8.791 558 HD22 ASN 69 2HD2 ASN 69 14.607 -14.344 8.358 559 H THR 70 H THR 70 12.200 -9.166 7.146 560 HA THR 70 HA THR 70 9.482 -8.908 6.041 561 HB THR 70 HB THR 70 10.908 -7.218 8.144 562 HG1 THR 70 HG1 THR 70 10.555 -9.459 8.727 563 HG21 THR 70 1HG2 THR 70 8.635 -6.472 8.769 564 HG22 THR 70 2HG2 THR 70 7.957 -7.392 7.426 565 HG23 THR 70 3HG2 THR 70 9.020 -6.021 7.105 566 H VAL 71 H VAL 71 9.216 -7.736 4.243 567 HA VAL 71 HA VAL 71 11.352 -6.008 3.236 568 HB VAL 71 HB VAL 71 10.398 -7.690 1.728 569 HG11 VAL 71 1HG1 VAL 71 8.147 -7.613 0.819 570 HG12 VAL 71 2HG1 VAL 71 7.765 -6.241 1.862 571 HG13 VAL 71 3HG1 VAL 71 8.108 -7.819 2.574 572 HG21 VAL 71 1HG2 VAL 71 9.759 -4.881 0.793 573 HG22 VAL 71 2HG2 VAL 71 10.047 -6.273 -0.257 574 HG23 VAL 71 3HG2 VAL 71 11.350 -5.644 0.753 575 H ASN 72 H ASN 72 11.234 -3.850 3.202 576 HA ASN 72 HA ASN 72 8.851 -2.434 4.233 577 HB2 ASN 72 2HB ASN 72 11.827 -1.749 4.482 578 HB3 ASN 72 3HB ASN 72 10.511 -0.711 5.034 579 HD21 ASN 72 1HD2 ASN 72 12.020 -3.876 5.522 580 HD22 ASN 72 2HD2 ASN 72 11.501 -4.062 7.155 581 H VAL 73 H VAL 73 7.848 -1.474 2.576 582 HA VAL 73 HA VAL 73 9.352 -0.300 0.346 583 HB VAL 73 HB VAL 73 6.327 -0.535 0.746 584 HG11 VAL 73 1HG1 VAL 73 7.934 0.322 -1.701 585 HG12 VAL 73 2HG1 VAL 73 6.883 1.357 -0.729 586 HG13 VAL 73 3HG1 VAL 73 6.191 0.041 -1.678 587 HG21 VAL 73 1HG2 VAL 73 8.204 -2.195 -0.979 588 HG22 VAL 73 2HG2 VAL 73 6.446 -2.354 -0.924 589 HG23 VAL 73 3HG2 VAL 73 7.413 -2.740 0.502 590 H THR 74 H THR 74 10.226 1.545 0.999 591 HA THR 74 HA THR 74 8.812 3.582 2.519 592 HB THR 74 HB THR 74 11.555 3.615 1.162 593 HG1 THR 74 HG1 THR 74 10.692 2.887 3.767 594 HG21 THR 74 1HG2 THR 74 12.066 5.471 2.725 595 HG22 THR 74 2HG2 THR 74 10.390 5.463 3.279 596 HG23 THR 74 3HG2 THR 74 10.766 5.900 1.610 597 H VAL 75 H VAL 75 7.268 4.641 1.384 598 HA VAL 75 HA VAL 75 7.729 5.361 -1.442 599 HB VAL 75 HB VAL 75 6.340 3.455 -1.639 600 HG11 VAL 75 1HG1 VAL 75 4.255 3.032 -0.414 601 HG12 VAL 75 2HG1 VAL 75 4.490 4.521 0.506 602 HG13 VAL 75 3HG1 VAL 75 5.628 3.184 0.684 603 HG21 VAL 75 1HG2 VAL 75 4.458 5.835 -1.805 604 HG22 VAL 75 2HG2 VAL 75 4.233 4.282 -2.614 605 HG23 VAL 75 3HG2 VAL 75 5.587 5.318 -3.062 606 H GLU 76 H GLU 76 7.706 7.443 -1.659 607 HA GLU 76 HA GLU 76 6.422 9.286 0.176 608 HB2 GLU 76 2HB GLU 76 8.627 9.869 -0.729 609 HB3 GLU 76 3HB GLU 76 8.023 9.744 -2.381 610 HG2 GLU 76 2HG GLU 76 6.448 11.664 -1.869 611 HG3 GLU 76 3HG GLU 76 7.248 11.830 -0.303 612 H LEU 77 H LEU 77 4.473 10.198 -0.130 613 HA LEU 77 HA LEU 77 3.151 10.117 -2.789 614 HB2 LEU 77 2HB LEU 77 1.795 10.254 -0.052 615 HB3 LEU 77 3HB LEU 77 1.006 10.079 -1.622 616 HG LEU 77 HG LEU 77 2.769 7.972 -0.282 617 HD11 LEU 77 1HD1 LEU 77 -0.232 8.003 -0.703 618 HD12 LEU 77 2HD1 LEU 77 0.596 8.276 0.830 619 HD13 LEU 77 3HD1 LEU 77 0.722 6.711 0.035 620 HD21 LEU 77 1HD2 LEU 77 2.037 6.494 -2.111 621 HD22 LEU 77 2HD2 LEU 77 2.963 7.862 -2.711 622 HD23 LEU 77 3HD2 LEU 77 1.206 7.849 -2.884 623 H GLU 78 H GLU 78 2.566 12.079 -3.614 624 HA GLU 78 HA GLU 78 3.056 14.527 -2.042 625 HB2 GLU 78 2HB GLU 78 4.011 14.442 -4.303 626 HB3 GLU 78 3HB GLU 78 2.430 14.099 -4.997 627 HG2 GLU 78 2HG GLU 78 1.675 16.353 -4.193 628 HG3 GLU 78 3HG GLU 78 3.329 16.655 -3.666 629 H GLU 79 H GLU 79 1.354 14.799 -0.748 630 HA GLU 79 HA GLU 79 -1.421 14.466 -1.620 631 HB2 GLU 79 2HB GLU 79 -0.314 15.181 1.137 632 HB3 GLU 79 3HB GLU 79 -1.969 14.691 0.758 633 HG2 GLU 79 2HG GLU 79 -1.192 12.450 0.156 634 HG3 GLU 79 3HG GLU 79 0.486 12.922 0.424 635 H THR 80 H THR 80 -2.215 16.184 -2.647 636 HA THR 80 HA THR 80 -1.567 18.932 -1.957 637 HB THR 80 HB THR 80 -3.706 17.988 -3.930 638 HG1 THR 80 HG1 THR 80 -1.656 17.058 -4.467 639 HG21 THR 80 1HG2 THR 80 -3.275 20.170 -5.020 640 HG22 THR 80 2HG2 THR 80 -2.059 20.556 -3.804 641 HG23 THR 80 3HG2 THR 80 -3.756 20.414 -3.339 642 H THR 81 H THR 81 -2.419 19.448 -0.042 643 HA THR 81 HA THR 81 -5.332 19.298 0.393 644 HB THR 81 HB THR 81 -4.375 17.489 1.756 645 HG1 THR 81 HG1 THR 81 -6.081 18.613 2.695 646 HG21 THR 81 1HG2 THR 81 -2.599 19.584 3.077 647 HG22 THR 81 2HG2 THR 81 -2.044 18.314 1.986 648 HG23 THR 81 3HG2 THR 81 -2.730 17.888 3.556 649 H GLY 82 H GLY 82 -6.168 21.187 1.225 650 HA2 GLY 82 2HA GLY 82 -6.304 23.441 1.643 651 HA3 GLY 82 3HA GLY 82 -4.704 23.338 2.372 652 H GLY 83 H GLY 83 -5.012 22.252 -0.890 653 HA2 GLY 83 2HA GLY 83 -4.421 23.144 -2.931 654 HA3 GLY 83 3HA GLY 83 -4.258 24.726 -2.195 655 H THR 84 H THR 84 -2.457 22.846 -0.235 656 HA THR 84 HA THR 84 0.037 23.738 -1.510 657 HB THR 84 HB THR 84 1.063 23.487 0.737 658 HG1 THR 84 HG1 THR 84 -1.548 22.779 1.669 659 HG21 THR 84 1HG2 THR 84 -0.163 25.264 1.934 660 HG22 THR 84 2HG2 THR 84 -1.541 25.047 0.852 661 HG23 THR 84 3HG2 THR 84 -0.008 25.653 0.215 662 H THR 85 H THR 85 1.838 22.402 -1.652 663 HA THR 85 HA THR 85 1.355 19.579 -2.130 664 HB THR 85 HB THR 85 3.888 21.257 -2.445 665 HG1 THR 85 HG1 THR 85 1.776 20.570 -4.187 666 HG21 THR 85 1HG2 THR 85 4.698 19.428 -3.899 667 HG22 THR 85 2HG2 THR 85 3.277 18.473 -3.497 668 HG23 THR 85 3HG2 THR 85 4.456 18.866 -2.245 669 H THR 86 H THR 86 1.505 18.215 -0.432 670 HA THR 86 HA THR 86 3.607 18.613 1.630 671 HB THR 86 HB THR 86 0.888 17.261 2.000 672 HG1 THR 86 HG1 THR 86 0.859 19.618 1.749 673 HG21 THR 86 1HG2 THR 86 2.635 16.330 3.494 674 HG22 THR 86 2HG2 THR 86 1.453 17.256 4.415 675 HG23 THR 86 3HG2 THR 86 3.031 17.959 4.060 676 H ASN 87 H ASN 87 5.186 17.161 1.152 677 HA ASN 87 HA ASN 87 4.607 14.572 -0.105 678 HB2 ASN 87 2HB ASN 87 7.233 15.988 0.559 679 HB3 ASN 87 3HB ASN 87 7.147 14.394 -0.184 680 HD21 ASN 87 1HD2 ASN 87 6.493 14.219 -2.342 681 HD22 ASN 87 2HD2 ASN 87 6.402 15.585 -3.396 682 H THR 88 H THR 88 3.805 13.198 1.357 683 HA THR 88 HA THR 88 5.147 12.846 3.978 684 HB THR 88 HB THR 88 2.300 12.083 3.166 685 HG1 THR 88 HG1 THR 88 1.759 13.994 3.836 686 HG21 THR 88 1HG2 THR 88 3.185 10.583 4.918 687 HG22 THR 88 2HG2 THR 88 1.945 11.652 5.575 688 HG23 THR 88 3HG2 THR 88 3.648 11.984 5.895 689 H THR 89 H THR 89 6.213 10.999 4.280 690 HA THR 89 HA THR 89 6.218 8.963 2.178 691 HB THR 89 HB THR 89 8.056 9.071 4.619 692 HG1 THR 89 HG1 THR 89 8.713 10.883 3.742 693 HG21 THR 89 1HG2 THR 89 8.419 7.863 1.844 694 HG22 THR 89 2HG2 THR 89 8.064 6.951 3.313 695 HG23 THR 89 3HG2 THR 89 9.596 7.812 3.160 696 H TYR 90 H TYR 90 4.924 7.225 2.450 697 HA TYR 90 HA TYR 90 4.272 6.242 5.162 698 HB2 TYR 90 2HB TYR 90 3.050 5.672 2.417 699 HB3 TYR 90 3HB TYR 90 2.618 4.767 3.863 700 HD1 TYR 90 HD1 TYR 90 0.950 5.596 5.340 701 HD2 TYR 90 HD2 TYR 90 2.603 8.233 2.410 702 HE1 TYR 90 HE1 TYR 90 -0.768 7.265 5.890 703 HE2 TYR 90 HE2 TYR 90 0.885 9.914 2.967 704 HH TYR 90 HH TYR 90 -1.377 9.984 3.949 705 H GLU 91 H GLU 91 5.304 4.435 5.861 706 HA GLU 91 HA GLU 91 7.010 2.943 3.951 707 HB2 GLU 91 2HB GLU 91 8.159 4.287 5.792 708 HB3 GLU 91 3HB GLU 91 7.401 3.207 6.965 709 HG2 GLU 91 2HG GLU 91 8.560 1.279 5.892 710 HG3 GLU 91 3HG GLU 91 9.321 2.407 4.760 711 H LEU 92 H LEU 92 5.811 1.232 3.386 712 HA LEU 92 HA LEU 92 3.986 -0.069 5.269 713 HB2 LEU 92 2HB LEU 92 4.379 -0.341 2.263 714 HB3 LEU 92 3HB LEU 92 3.324 -1.403 3.183 715 HG LEU 92 HG LEU 92 2.013 0.641 3.910 716 HD11 LEU 92 1HD1 LEU 92 3.658 2.378 3.557 717 HD12 LEU 92 2HD1 LEU 92 2.194 2.717 2.641 718 HD13 LEU 92 3HD1 LEU 92 3.627 2.094 1.813 719 HD21 LEU 92 1HD2 LEU 92 2.081 0.112 0.936 720 HD22 LEU 92 2HD2 LEU 92 0.761 0.878 1.827 721 HD23 LEU 92 3HD2 LEU 92 1.178 -0.803 2.148 722 H ARG 93 H ARG 93 4.920 -1.458 6.524 723 HA ARG 93 HA ARG 93 7.284 -2.995 5.794 724 HB2 ARG 93 2HB ARG 93 7.145 -1.689 7.932 725 HB3 ARG 93 3HB ARG 93 5.775 -2.670 8.436 726 HG2 ARG 93 2HG ARG 93 7.194 -4.650 8.561 727 HG3 ARG 93 3HG ARG 93 8.564 -3.743 7.919 728 HD2 ARG 93 2HD ARG 93 8.895 -3.907 10.279 729 HD3 ARG 93 3HD ARG 93 8.406 -2.242 9.950 730 HE ARG 93 HE ARG 93 6.340 -4.167 10.770 731 HH11 ARG 93 1HH1 ARG 93 8.334 -1.393 11.639 732 HH12 ARG 93 2HH1 ARG 93 7.386 -1.002 13.034 733 HH21 ARG 93 1HH2 ARG 93 5.137 -3.649 12.625 734 HH22 ARG 93 2HH2 ARG 93 5.579 -2.280 13.592 735 H PHE 94 H PHE 94 6.583 -4.676 4.504 736 HA PHE 94 HA PHE 94 4.184 -6.212 5.130 737 HB2 PHE 94 2HB PHE 94 6.215 -6.463 2.870 738 HB3 PHE 94 3HB PHE 94 4.752 -7.421 3.003 739 HD1 PHE 94 HD1 PHE 94 6.156 -4.167 2.086 740 HD2 PHE 94 HD2 PHE 94 2.526 -6.372 2.643 741 HE1 PHE 94 HE1 PHE 94 4.897 -2.449 0.847 742 HE2 PHE 94 HE2 PHE 94 1.291 -4.650 1.397 743 HZ PHE 94 HZ PHE 94 2.476 -2.689 0.498 744 H GLU 95 H GLU 95 4.444 -7.608 6.732 745 HA GLU 95 HA GLU 95 6.939 -9.082 7.148 746 HB2 GLU 95 2HB GLU 95 5.478 -7.931 9.014 747 HB3 GLU 95 3HB GLU 95 4.412 -9.317 8.845 748 HG2 GLU 95 2HG GLU 95 7.365 -9.573 9.496 749 HG3 GLU 95 3HG GLU 95 6.125 -9.399 10.738 750 H VAL 96 H VAL 96 7.127 -11.210 6.612 751 HA VAL 96 HA VAL 96 5.093 -12.167 4.685 752 HB VAL 96 HB VAL 96 6.938 -13.173 3.421 753 HG11 VAL 96 1HG1 VAL 96 6.420 -10.816 2.938 754 HG12 VAL 96 2HG1 VAL 96 8.149 -11.112 2.735 755 HG13 VAL 96 3HG1 VAL 96 7.560 -10.288 4.181 756 HG21 VAL 96 1HG2 VAL 96 9.316 -12.890 4.096 757 HG22 VAL 96 2HG2 VAL 96 8.421 -13.828 5.291 758 HG23 VAL 96 3HG2 VAL 96 8.798 -12.134 5.608 759 H ASP 97 H ASP 97 4.609 -14.347 4.545 760 HA ASP 97 HA ASP 97 5.590 -16.251 6.559 761 HB2 ASP 97 2HB ASP 97 3.515 -15.389 7.489 762 HB3 ASP 97 3HB ASP 97 2.670 -15.587 5.961 763 H GLY 98 H GLY 98 6.797 -17.282 4.970 764 HA2 GLY 98 2HA GLY 98 7.193 -19.007 3.502 765 HA3 GLY 98 3HA GLY 98 5.456 -19.261 3.374 766 H ASP 99 H ASP 99 4.383 -18.447 1.647 767 HA ASP 99 HA ASP 99 5.922 -16.990 -0.446 768 HB2 ASP 99 2HB ASP 99 3.572 -18.912 -0.816 769 HB3 ASP 99 3HB ASP 99 4.450 -18.095 -2.109 770 H THR 100 H THR 100 3.349 -16.707 1.733 771 HA THR 100 HA THR 100 2.044 -14.530 0.188 772 HB THR 100 HB THR 100 0.493 -16.341 0.951 773 HG1 THR 100 HG1 THR 100 -0.864 -14.734 1.058 774 HG21 THR 100 1HG2 THR 100 1.212 -15.471 3.779 775 HG22 THR 100 2HG2 THR 100 1.630 -17.021 3.043 776 HG23 THR 100 3HG2 THR 100 -0.061 -16.611 3.333 777 H ILE 101 H ILE 101 1.379 -12.663 1.511 778 HA ILE 101 HA ILE 101 3.187 -12.066 3.796 779 HB ILE 101 HB ILE 101 1.810 -10.059 1.936 780 HG12 ILE 101 2HG1 ILE 101 4.766 -10.866 1.943 781 HG13 ILE 101 3HG1 ILE 101 3.590 -11.336 0.718 782 HG21 ILE 101 1HG2 ILE 101 2.220 -9.220 4.221 783 HG22 ILE 101 2HG2 ILE 101 3.210 -8.372 3.036 784 HG23 ILE 101 3HG2 ILE 101 3.935 -9.610 4.067 785 HD11 ILE 101 1HD1 ILE 101 4.493 -8.504 1.296 786 HD12 ILE 101 2HD1 ILE 101 3.316 -8.990 0.071 787 HD13 ILE 101 3HD1 ILE 101 4.993 -9.515 -0.062 788 H ARG 102 H ARG 102 2.095 -12.014 5.729 789 HA ARG 102 HA ARG 102 -0.845 -12.074 5.726 790 HB2 ARG 102 2HB ARG 102 1.089 -12.390 8.064 791 HB3 ARG 102 3HB ARG 102 -0.652 -12.657 8.127 792 HG2 ARG 102 2HG ARG 102 1.325 -14.282 6.489 793 HG3 ARG 102 3HG ARG 102 0.631 -14.761 8.037 794 HD2 ARG 102 2HD ARG 102 -1.622 -14.783 7.020 795 HD3 ARG 102 3HD ARG 102 -0.927 -14.312 5.462 796 HE ARG 102 HE ARG 102 0.470 -16.522 5.982 797 HH11 ARG 102 1HH1 ARG 102 -2.999 -16.004 6.240 798 HH12 ARG 102 2HH1 ARG 102 -3.390 -17.654 5.895 799 HH21 ARG 102 1HH2 ARG 102 -0.052 -18.669 5.503 800 HH22 ARG 102 2HH2 ARG 102 -1.711 -19.176 5.469 801 H ARG 103 H ARG 103 1.731 -9.841 6.468 802 HA ARG 103 HA ARG 103 -0.112 -8.051 7.964 803 HB2 ARG 103 2HB ARG 103 2.756 -8.746 8.724 804 HB3 ARG 103 3HB ARG 103 1.768 -7.539 9.534 805 HG2 ARG 103 2HG ARG 103 0.249 -9.250 10.346 806 HG3 ARG 103 3HG ARG 103 1.078 -10.497 9.413 807 HD2 ARG 103 2HD ARG 103 3.067 -10.280 10.793 808 HD3 ARG 103 3HD ARG 103 2.373 -8.904 11.656 809 HE ARG 103 HE ARG 103 0.579 -10.608 12.352 810 HH11 ARG 103 1HH1 ARG 103 3.942 -11.532 11.864 811 HH12 ARG 103 2HH1 ARG 103 3.862 -12.845 12.991 812 HH21 ARG 103 1HH2 ARG 103 0.530 -12.302 13.876 813 HH22 ARG 103 2HH2 ARG 103 1.944 -13.275 14.126 814 H VAL 104 H VAL 104 0.241 -5.889 7.747 815 HA VAL 104 HA VAL 104 2.535 -4.814 6.308 816 HB VAL 104 HB VAL 104 1.045 -5.136 4.440 817 HG11 VAL 104 1HG1 VAL 104 -1.093 -5.442 5.602 818 HG12 VAL 104 2HG1 VAL 104 -1.261 -4.249 4.315 819 HG13 VAL 104 3HG1 VAL 104 -1.153 -3.720 5.996 820 HG21 VAL 104 1HG2 VAL 104 2.270 -3.005 4.440 821 HG22 VAL 104 2HG2 VAL 104 0.933 -2.208 5.273 822 HG23 VAL 104 3HG2 VAL 104 0.714 -2.820 3.631 823 H THR 105 H THR 105 3.286 -3.466 7.832 824 HA THR 105 HA THR 105 1.474 -1.837 9.471 825 HB THR 105 HB THR 105 4.522 -2.038 9.614 826 HG1 THR 105 HG1 THR 105 2.470 -3.584 10.787 827 HG21 THR 105 1HG2 THR 105 4.243 -1.123 11.894 828 HG22 THR 105 2HG2 THR 105 2.502 -0.988 11.648 829 HG23 THR 105 3HG2 THR 105 3.609 0.006 10.693 830 H VAL 106 H VAL 106 0.786 -0.107 8.285 831 HA VAL 106 HA VAL 106 2.540 1.298 6.435 832 HB VAL 106 HB VAL 106 -0.307 2.020 7.295 833 HG11 VAL 106 1HG1 VAL 106 -0.392 3.303 5.177 834 HG12 VAL 106 2HG1 VAL 106 1.288 2.877 4.847 835 HG13 VAL 106 3HG1 VAL 106 0.891 3.891 6.237 836 HG21 VAL 106 1HG2 VAL 106 -0.273 -0.267 6.330 837 HG22 VAL 106 2HG2 VAL 106 0.523 0.352 4.881 838 HG23 VAL 106 3HG2 VAL 106 -1.119 0.865 5.272 839 H THR 107 H THR 107 4.042 2.508 7.446 840 HA THR 107 HA THR 107 3.469 3.792 10.026 841 HB THR 107 HB THR 107 6.212 3.420 8.733 842 HG1 THR 107 HG1 THR 107 4.999 1.391 9.086 843 HG21 THR 107 1HG2 THR 107 7.001 3.552 11.098 844 HG22 THR 107 2HG2 THR 107 5.343 3.853 11.622 845 HG23 THR 107 3HG2 THR 107 6.172 5.031 10.601 846 H GLN 108 H GLN 108 2.826 5.843 9.842 847 HA GLN 108 HA GLN 108 3.214 7.400 7.433 848 HB2 GLN 108 2HB GLN 108 1.055 7.285 8.722 849 HB3 GLN 108 3HB GLN 108 1.829 8.161 10.039 850 HG2 GLN 108 2HG GLN 108 2.196 10.084 8.493 851 HG3 GLN 108 3HG GLN 108 1.342 9.202 7.225 852 HE21 GLN 108 1HE2 GLN 108 -0.360 10.611 7.038 853 HE22 GLN 108 2HE2 GLN 108 -1.529 10.900 8.278 854 H ASN 109 H ASN 109 5.183 8.281 7.214 855 HA ASN 109 HA ASN 109 6.514 9.776 9.398 856 HB2 ASN 109 2HB ASN 109 7.672 8.783 6.742 857 HB3 ASN 109 3HB ASN 109 8.573 9.614 8.007 858 HD21 ASN 109 1HD2 ASN 109 7.123 6.583 7.025 859 HD22 ASN 109 2HD2 ASN 109 7.846 5.618 8.262 860 H GLY 110 H GLY 110 5.710 11.831 9.318 861 HA2 GLY 110 2HA GLY 110 6.309 13.556 7.108 862 HA3 GLY 110 3HA GLY 110 4.586 13.198 7.188 863 H GLY 111 H GLY 111 4.500 15.591 7.469 864 HA2 GLY 111 2HA GLY 111 3.927 17.377 8.786 865 HA3 GLY 111 3HA GLY 111 3.841 16.256 10.139 866 H SER 112 H SER 112 6.415 17.671 8.070 867 HA SER 112 HA SER 112 8.270 17.729 10.327 868 HB2 SER 112 2HB SER 112 8.712 18.547 7.420 869 HB3 SER 112 3HB SER 112 9.968 18.289 8.639 870 HG SER 112 HG SER 112 8.189 16.368 7.531 871 H LEU 113 H LEU 113 7.634 19.366 11.693 872 HA LEU 113 HA LEU 113 6.830 21.985 10.903 873 HB2 LEU 113 2HB LEU 113 7.872 20.946 13.570 874 HB3 LEU 113 3HB LEU 113 7.355 22.604 13.329 875 HG LEU 113 HG LEU 113 5.047 21.664 12.676 876 HD11 LEU 113 1HD1 LEU 113 4.452 19.433 13.523 877 HD12 LEU 113 2HD1 LEU 113 6.149 19.130 13.911 878 HD13 LEU 113 3HD1 LEU 113 5.650 19.352 12.233 879 HD21 LEU 113 1HD2 LEU 113 4.325 21.427 15.004 880 HD22 LEU 113 2HD2 LEU 113 5.454 22.767 14.818 881 HD23 LEU 113 3HD2 LEU 113 6.005 21.242 15.521 882 H GLU 114 H GLU 114 9.840 20.756 12.304 883 HA GLU 114 HA GLU 114 11.559 22.479 10.798 884 HB2 GLU 114 2HB GLU 114 12.571 23.526 12.964 885 HB3 GLU 114 3HB GLU 114 11.074 24.203 12.349 886 HG2 GLU 114 2HG GLU 114 10.876 24.089 14.731 887 HG3 GLU 114 3HG GLU 114 9.809 22.867 14.048 888 H HIS 115 H HIS 115 13.851 22.273 12.261 889 HA HIS 115 HA HIS 115 14.240 19.451 13.027 890 HB2 HIS 115 2HB HIS 115 15.957 21.047 11.065 891 HB3 HIS 115 3HB HIS 115 16.483 19.549 11.817 892 HD1 HIS 115 HD1 HIS 115 14.586 20.851 8.969 893 HD2 HIS 115 HD2 HIS 115 14.956 17.229 10.975 894 HE1 HIS 115 HE1 HIS 115 13.700 19.110 7.395 895 HE2 HIS 115 HE2 HIS 115 13.768 16.964 8.707 896 H HIS 116 H HIS 116 15.075 19.423 15.015 897 HA HIS 116 HA HIS 116 16.072 21.718 16.383 898 HB2 HIS 116 2HB HIS 116 16.014 18.774 17.151 899 HB3 HIS 116 3HB HIS 116 16.658 20.016 18.222 900 HD1 HIS 116 HD1 HIS 116 15.017 21.236 19.651 901 HD2 HIS 116 HD2 HIS 116 13.163 19.187 16.559 902 HE1 HIS 116 HE1 HIS 116 12.555 21.539 20.024 903 HE2 HIS 116 HE2 HIS 116 11.493 20.490 18.000 904 H HIS 117 H HIS 117 17.658 19.348 14.434 905 HA HIS 117 HA HIS 117 20.141 20.935 14.722 906 HB2 HIS 117 2HB HIS 117 19.889 17.907 14.382 907 HB3 HIS 117 3HB HIS 117 21.358 18.777 13.946 908 HD1 HIS 117 HD1 HIS 117 22.734 19.848 15.884 909 HD2 HIS 117 HD2 HIS 117 19.531 17.531 17.142 910 HE1 HIS 117 HE1 HIS 117 23.103 19.460 18.332 911 HE2 HIS 117 HE2 HIS 117 21.095 18.148 19.089 912 H HIS 118 H HIS 118 21.162 21.438 12.779 913 HA HIS 118 HA HIS 118 19.552 22.136 10.645 914 HB2 HIS 118 2HB HIS 118 21.582 22.768 9.460 915 HB3 HIS 118 3HB HIS 118 21.790 23.134 11.167 916 HD1 HIS 118 HD1 HIS 118 23.780 22.053 8.579 917 HD2 HIS 118 HD2 HIS 118 23.100 20.485 12.362 918 HE1 HIS 118 HE1 HIS 118 25.742 20.584 9.074 919 HE2 HIS 118 HE2 HIS 118 25.402 19.803 11.430 920 H HIS 119 H HIS 119 19.205 21.348 8.542 921 HA HIS 119 HA HIS 119 18.904 18.531 8.344 922 HB2 HIS 119 2HB HIS 119 17.292 20.048 7.263 923 HB3 HIS 119 3HB HIS 119 18.550 20.677 6.200 924 HD1 HIS 119 HD1 HIS 119 18.746 19.528 3.975 925 HD2 HIS 119 HD2 HIS 119 16.806 17.144 6.769 926 HE1 HIS 119 HE1 HIS 119 18.010 17.481 2.728 927 HE2 HIS 119 HE2 HIS 119 16.822 16.068 4.433 928 H HIS 120 H HIS 120 20.442 17.101 7.827 929 HA HIS 120 HA HIS 120 22.807 17.772 6.274 930 HB2 HIS 120 2HB HIS 120 22.983 16.158 8.149 931 HB3 HIS 120 3HB HIS 120 21.816 15.091 7.371 932 HD1 HIS 120 HD1 HIS 120 25.352 16.387 6.926 933 HD2 HIS 120 HD2 HIS 120 22.907 13.352 5.493 934 HE1 HIS 120 HE1 HIS 120 26.849 14.886 5.592 935 HE2 HIS 120 HE2 HIS 120 25.304 13.175 4.586 Start of MODEL 13 1 H1 MET 1 1H MET 1 2.321 -16.141 -8.156 2 H2 MET 1 2H MET 1 2.002 -14.838 -9.177 3 H3 MET 1 3H MET 1 1.003 -15.134 -7.849 4 HA MET 1 HA MET 1 2.456 -13.278 -7.409 5 HB2 MET 1 2HB MET 1 1.746 -14.800 -5.564 6 HB3 MET 1 3HB MET 1 3.182 -15.775 -5.820 7 HG2 MET 1 2HG MET 1 4.602 -13.932 -5.090 8 HG3 MET 1 3HG MET 1 3.191 -12.881 -4.916 9 HE1 MET 1 1HE MET 1 4.333 -13.589 -1.182 10 HE2 MET 1 2HE MET 1 3.986 -12.329 -2.362 11 HE3 MET 1 3HE MET 1 5.377 -13.391 -2.591 12 H GLN 2 H GLN 2 4.073 -12.449 -8.569 13 HA GLN 2 HA GLN 2 6.001 -13.849 -10.012 14 HB2 GLN 2 2HB GLN 2 5.870 -10.945 -9.152 15 HB3 GLN 2 3HB GLN 2 7.115 -11.539 -10.237 16 HG2 GLN 2 2HG GLN 2 4.143 -11.680 -10.812 17 HG3 GLN 2 3HG GLN 2 5.220 -10.403 -11.388 18 HE21 GLN 2 1HE2 GLN 2 6.818 -10.934 -12.958 19 HE22 GLN 2 2HE2 GLN 2 6.687 -12.356 -13.935 20 H ASP 3 H ASP 3 6.458 -11.927 -7.063 21 HA ASP 3 HA ASP 3 8.643 -13.525 -6.087 22 HB2 ASP 3 2HB ASP 3 9.943 -12.326 -7.732 23 HB3 ASP 3 3HB ASP 3 9.166 -10.801 -7.352 24 H ILE 4 H ILE 4 9.473 -12.642 -3.993 25 HA ILE 4 HA ILE 4 7.402 -11.844 -2.226 26 HB ILE 4 HB ILE 4 10.442 -11.799 -1.849 27 HG12 ILE 4 2HG1 ILE 4 9.579 -14.050 -2.368 28 HG13 ILE 4 3HG1 ILE 4 10.164 -13.971 -0.714 29 HG21 ILE 4 1HG2 ILE 4 10.023 -11.840 0.592 30 HG22 ILE 4 2HG2 ILE 4 8.296 -11.628 0.303 31 HG23 ILE 4 3HG2 ILE 4 9.429 -10.356 -0.157 32 HD11 ILE 4 1HD1 ILE 4 8.132 -15.285 -0.881 33 HD12 ILE 4 2HD1 ILE 4 7.263 -13.914 -1.565 34 HD13 ILE 4 3HD1 ILE 4 7.849 -13.848 0.099 35 H VAL 5 H VAL 5 10.194 -10.068 -3.529 36 HA VAL 5 HA VAL 5 9.633 -7.576 -2.212 37 HB VAL 5 HB VAL 5 11.491 -8.207 -4.550 38 HG11 VAL 5 1HG1 VAL 5 11.066 -5.788 -4.363 39 HG12 VAL 5 2HG1 VAL 5 12.733 -6.189 -3.958 40 HG13 VAL 5 3HG1 VAL 5 11.580 -5.825 -2.673 41 HG21 VAL 5 1HG2 VAL 5 12.125 -8.133 -1.579 42 HG22 VAL 5 2HG2 VAL 5 13.282 -8.416 -2.881 43 HG23 VAL 5 3HG2 VAL 5 12.000 -9.585 -2.575 44 H GLU 6 H GLU 6 9.057 -8.917 -5.460 45 HA GLU 6 HA GLU 6 7.876 -6.614 -6.637 46 HB2 GLU 6 2HB GLU 6 8.645 -8.522 -7.990 47 HB3 GLU 6 3HB GLU 6 7.427 -9.562 -7.262 48 HG2 GLU 6 2HG GLU 6 6.699 -8.954 -9.468 49 HG3 GLU 6 3HG GLU 6 5.653 -8.149 -8.307 50 H ALA 7 H ALA 7 6.573 -9.205 -4.627 51 HA ALA 7 HA ALA 7 3.809 -8.636 -4.929 52 HB1 ALA 7 1HB ALA 7 4.614 -10.745 -3.980 53 HB2 ALA 7 2HB ALA 7 3.511 -9.941 -2.864 54 HB3 ALA 7 3HB ALA 7 5.254 -9.894 -2.574 55 H ALA 8 H ALA 8 6.286 -7.519 -2.663 56 HA ALA 8 HA ALA 8 4.663 -5.896 -1.004 57 HB1 ALA 8 1HB ALA 8 7.620 -5.645 -1.651 58 HB2 ALA 8 2HB ALA 8 6.916 -6.668 -0.399 59 HB3 ALA 8 3HB ALA 8 6.788 -4.915 -0.272 60 H LYS 9 H LYS 9 6.520 -5.205 -3.938 61 HA LYS 9 HA LYS 9 6.214 -2.377 -3.925 62 HB2 LYS 9 2HB LYS 9 8.055 -3.583 -5.076 63 HB3 LYS 9 3HB LYS 9 6.903 -4.256 -6.225 64 HG2 LYS 9 2HG LYS 9 6.389 -1.957 -7.028 65 HG3 LYS 9 3HG LYS 9 7.583 -1.310 -5.897 66 HD2 LYS 9 2HD LYS 9 9.376 -2.554 -7.053 67 HD3 LYS 9 3HD LYS 9 8.189 -3.259 -8.156 68 HE2 LYS 9 2HE LYS 9 7.629 -0.933 -8.940 69 HE3 LYS 9 3HE LYS 9 8.951 -0.330 -7.933 70 HZ1 LYS 9 1HZ LYS 9 10.495 -1.695 -9.214 71 HZ2 LYS 9 2HZ LYS 9 9.663 -0.626 -10.218 72 HZ3 LYS 9 3HZ LYS 9 9.231 -2.258 -10.187 73 H GLN 10 H GLN 10 4.558 -4.958 -5.749 74 HA GLN 10 HA GLN 10 2.711 -3.334 -7.149 75 HB2 GLN 10 2HB GLN 10 2.739 -6.284 -6.420 76 HB3 GLN 10 3HB GLN 10 1.337 -5.582 -7.216 77 HG2 GLN 10 2HG GLN 10 4.155 -5.677 -8.321 78 HG3 GLN 10 3HG GLN 10 2.786 -6.671 -8.827 79 HE21 GLN 10 1HE2 GLN 10 4.260 -3.543 -9.003 80 HE22 GLN 10 2HE2 GLN 10 3.208 -2.879 -10.204 81 H ALA 11 H ALA 11 2.566 -4.974 -4.005 82 HA ALA 11 HA ALA 11 -0.156 -4.485 -3.439 83 HB1 ALA 11 1HB ALA 11 1.168 -6.159 -2.242 84 HB2 ALA 11 2HB ALA 11 0.421 -5.025 -1.118 85 HB3 ALA 11 3HB ALA 11 2.141 -4.888 -1.499 86 H ALA 12 H ALA 12 2.800 -2.669 -2.705 87 HA ALA 12 HA ALA 12 1.752 -0.694 -1.047 88 HB1 ALA 12 1HB ALA 12 4.019 -0.410 -3.039 89 HB2 ALA 12 2HB ALA 12 4.159 -1.024 -1.390 90 HB3 ALA 12 3HB ALA 12 3.704 0.659 -1.667 91 H ILE 13 H ILE 13 2.227 -0.602 -4.580 92 HA ILE 13 HA ILE 13 1.091 1.940 -5.070 93 HB ILE 13 HB ILE 13 1.360 -0.448 -6.964 94 HG12 ILE 13 2HG1 ILE 13 3.243 1.932 -6.546 95 HG13 ILE 13 3HG1 ILE 13 3.535 0.298 -5.965 96 HG21 ILE 13 1HG2 ILE 13 0.933 2.485 -7.645 97 HG22 ILE 13 2HG2 ILE 13 -0.250 1.192 -7.845 98 HG23 ILE 13 3HG2 ILE 13 1.226 1.192 -8.809 99 HD11 ILE 13 1HD1 ILE 13 3.378 1.155 -8.851 100 HD12 ILE 13 2HD1 ILE 13 3.631 -0.498 -8.286 101 HD13 ILE 13 3HD1 ILE 13 4.834 0.745 -7.942 102 H ALA 14 H ALA 14 -0.312 -1.331 -5.113 103 HA ALA 14 HA ALA 14 -2.858 -0.702 -6.168 104 HB1 ALA 14 1HB ALA 14 -3.533 -2.919 -5.367 105 HB2 ALA 14 2HB ALA 14 -2.070 -3.013 -4.378 106 HB3 ALA 14 3HB ALA 14 -1.946 -2.975 -6.138 107 H ILE 15 H ILE 15 -1.661 -0.865 -2.852 108 HA ILE 15 HA ILE 15 -4.055 -0.457 -1.430 109 HB ILE 15 HB ILE 15 -1.122 0.067 -0.791 110 HG12 ILE 15 2HG1 ILE 15 -3.144 -1.907 0.382 111 HG13 ILE 15 3HG1 ILE 15 -1.940 -2.294 -0.839 112 HG21 ILE 15 1HG2 ILE 15 -3.397 0.613 1.141 113 HG22 ILE 15 2HG2 ILE 15 -2.297 1.811 0.454 114 HG23 ILE 15 3HG2 ILE 15 -1.682 0.581 1.557 115 HD11 ILE 15 1HD1 ILE 15 -1.396 -1.485 2.015 116 HD12 ILE 15 2HD1 ILE 15 -0.163 -1.806 0.792 117 HD13 ILE 15 3HD1 ILE 15 -1.244 -3.097 1.312 118 H PHE 16 H PHE 16 -1.810 1.811 -2.990 119 HA PHE 16 HA PHE 16 -3.066 4.217 -2.038 120 HB2 PHE 16 2HB PHE 16 -1.201 3.869 -4.420 121 HB3 PHE 16 3HB PHE 16 -1.601 5.392 -3.628 122 HD1 PHE 16 HD1 PHE 16 -1.442 4.440 -0.723 123 HD2 PHE 16 HD2 PHE 16 1.153 3.833 -4.073 124 HE1 PHE 16 HE1 PHE 16 0.471 4.175 0.803 125 HE2 PHE 16 HE2 PHE 16 3.058 3.570 -2.536 126 HZ PHE 16 HZ PHE 16 2.712 3.744 -0.107 127 H GLN 17 H GLN 17 -3.373 2.236 -4.962 128 HA GLN 17 HA GLN 17 -5.023 3.986 -6.474 129 HB2 GLN 17 2HB GLN 17 -5.159 0.948 -6.563 130 HB3 GLN 17 3HB GLN 17 -5.638 2.064 -7.835 131 HG2 GLN 17 2HG GLN 17 -2.807 1.578 -6.881 132 HG3 GLN 17 3HG GLN 17 -3.532 0.889 -8.323 133 HE21 GLN 17 1HE2 GLN 17 -1.921 1.755 -9.628 134 HE22 GLN 17 2HE2 GLN 17 -1.821 3.435 -10.016 135 H LEU 18 H LEU 18 -5.714 1.518 -4.031 136 HA LEU 18 HA LEU 18 -8.554 1.828 -4.010 137 HB2 LEU 18 2HB LEU 18 -6.659 0.682 -1.919 138 HB3 LEU 18 3HB LEU 18 -8.409 0.649 -1.762 139 HG LEU 18 HG LEU 18 -6.773 -0.793 -3.891 140 HD11 LEU 18 1HD1 LEU 18 -6.628 -1.851 -1.679 141 HD12 LEU 18 2HD1 LEU 18 -7.530 -2.855 -2.810 142 HD13 LEU 18 3HD1 LEU 18 -8.390 -1.924 -1.579 143 HD21 LEU 18 1HD2 LEU 18 -8.882 -1.802 -4.648 144 HD22 LEU 18 2HD2 LEU 18 -8.900 -0.054 -4.858 145 HD23 LEU 18 3HD2 LEU 18 -9.789 -0.789 -3.520 146 H TRP 19 H TRP 19 -5.906 3.345 -2.167 147 HA TRP 19 HA TRP 19 -7.432 4.551 -0.142 148 HB2 TRP 19 2HB TRP 19 -4.666 5.022 -1.213 149 HB3 TRP 19 3HB TRP 19 -5.350 6.218 -0.122 150 HD1 TRP 19 HD1 TRP 19 -6.518 2.845 0.975 151 HE1 TRP 19 HE1 TRP 19 -5.110 2.062 2.980 152 HE3 TRP 19 HE3 TRP 19 -2.706 6.272 0.704 153 HZ2 TRP 19 HZ2 TRP 19 -2.711 2.796 4.280 154 HZ3 TRP 19 HZ3 TRP 19 -0.900 6.160 2.372 155 HH2 TRP 19 HH2 TRP 19 -0.906 4.459 4.122 156 H LYS 20 H LYS 20 -6.678 5.725 -3.375 157 HA LYS 20 HA LYS 20 -8.156 8.236 -2.894 158 HB2 LYS 20 2HB LYS 20 -7.305 8.958 -5.066 159 HB3 LYS 20 3HB LYS 20 -5.983 8.370 -4.068 160 HG2 LYS 20 2HG LYS 20 -6.009 6.219 -5.322 161 HG3 LYS 20 3HG LYS 20 -7.302 6.853 -6.346 162 HD2 LYS 20 2HD LYS 20 -5.782 8.696 -7.086 163 HD3 LYS 20 3HD LYS 20 -4.490 8.001 -6.101 164 HE2 LYS 20 2HE LYS 20 -4.614 5.915 -7.467 165 HE3 LYS 20 3HE LYS 20 -5.848 6.681 -8.473 166 HZ1 LYS 20 1HZ LYS 20 -3.047 7.630 -8.135 167 HZ2 LYS 20 2HZ LYS 20 -4.224 8.386 -9.083 168 HZ3 LYS 20 3HZ LYS 20 -3.675 6.845 -9.494 169 H ASN 21 H ASN 21 -8.718 5.088 -4.123 170 HA ASN 21 HA ASN 21 -11.397 5.719 -5.011 171 HB2 ASN 21 2HB ASN 21 -10.063 6.243 -7.060 172 HB3 ASN 21 3HB ASN 21 -9.356 4.625 -7.031 173 HD21 ASN 21 1HD2 ASN 21 -10.701 2.859 -7.603 174 HD22 ASN 21 2HD2 ASN 21 -12.184 3.079 -8.458 175 HA PRO 22 HA PRO 22 -10.738 1.625 -2.782 176 HB2 PRO 22 2HB PRO 22 -13.266 1.589 -1.597 177 HB3 PRO 22 3HB PRO 22 -11.844 2.391 -0.904 178 HG2 PRO 22 2HG PRO 22 -14.076 3.585 -2.509 179 HG3 PRO 22 3HG PRO 22 -13.296 4.199 -1.033 180 HD2 PRO 22 2HD PRO 22 -12.671 5.197 -3.442 181 HD3 PRO 22 3HD PRO 22 -11.422 4.980 -2.191 182 H THR 23 H THR 23 -12.981 2.589 -5.178 183 HA THR 23 HA THR 23 -14.196 -0.034 -5.571 184 HB THR 23 HB THR 23 -15.391 1.181 -7.448 185 HG1 THR 23 HG1 THR 23 -14.996 3.320 -7.769 186 HG21 THR 23 1HG2 THR 23 -15.549 2.507 -4.708 187 HG22 THR 23 2HG2 THR 23 -16.449 1.078 -5.221 188 HG23 THR 23 3HG2 THR 23 -16.769 2.640 -5.975 189 H ASP 24 H ASP 24 -11.177 0.881 -6.223 190 HA ASP 24 HA ASP 24 -10.878 0.587 -9.047 191 HB2 ASP 24 2HB ASP 24 -9.216 1.740 -7.480 192 HB3 ASP 24 3HB ASP 24 -8.682 0.149 -6.960 193 HA PRO 25 HA PRO 25 -11.729 -3.843 -8.767 194 HB2 PRO 25 2HB PRO 25 -11.679 -4.439 -11.457 195 HB3 PRO 25 3HB PRO 25 -13.026 -3.591 -10.675 196 HG2 PRO 25 2HG PRO 25 -10.749 -2.439 -12.256 197 HG3 PRO 25 3HG PRO 25 -12.484 -2.051 -12.331 198 HD2 PRO 25 2HD PRO 25 -10.727 -0.500 -10.968 199 HD3 PRO 25 3HD PRO 25 -12.408 -0.720 -10.426 200 H GLU 26 H GLU 26 -8.992 -2.627 -10.662 201 HA GLU 26 HA GLU 26 -7.653 -5.129 -10.999 202 HB2 GLU 26 2HB GLU 26 -6.633 -2.270 -11.319 203 HB3 GLU 26 3HB GLU 26 -5.751 -3.714 -11.809 204 HG2 GLU 26 2HG GLU 26 -7.603 -4.253 -13.404 205 HG3 GLU 26 3HG GLU 26 -8.379 -2.739 -12.950 206 H ALA 27 H ALA 27 -7.312 -2.430 -8.741 207 HA ALA 27 HA ALA 27 -4.819 -3.114 -7.627 208 HB1 ALA 27 1HB ALA 27 -5.799 -0.868 -7.467 209 HB2 ALA 27 2HB ALA 27 -5.377 -1.497 -5.873 210 HB3 ALA 27 3HB ALA 27 -7.062 -1.489 -6.399 211 H GLN 28 H GLN 28 -8.105 -3.533 -6.291 212 HA GLN 28 HA GLN 28 -7.365 -5.069 -4.041 213 HB2 GLN 28 2HB GLN 28 -9.793 -5.679 -3.912 214 HB3 GLN 28 3HB GLN 28 -9.496 -3.949 -4.078 215 HG2 GLN 28 2HG GLN 28 -9.959 -4.203 -6.551 216 HG3 GLN 28 3HG GLN 28 -10.484 -5.849 -6.220 217 HE21 GLN 28 1HE2 GLN 28 -11.220 -2.452 -5.728 218 HE22 GLN 28 2HE2 GLN 28 -12.876 -2.681 -5.289 219 H GLU 29 H GLU 29 -8.024 -6.003 -7.371 220 HA GLU 29 HA GLU 29 -8.458 -8.781 -6.929 221 HB2 GLU 29 2HB GLU 29 -9.250 -7.620 -8.955 222 HB3 GLU 29 3HB GLU 29 -7.588 -7.374 -9.484 223 HG2 GLU 29 2HG GLU 29 -7.278 -9.787 -9.730 224 HG3 GLU 29 3HG GLU 29 -8.889 -10.086 -9.078 225 H LEU 30 H LEU 30 -5.526 -6.969 -7.912 226 HA LEU 30 HA LEU 30 -3.896 -9.323 -8.104 227 HB2 LEU 30 2HB LEU 30 -2.007 -7.844 -8.431 228 HB3 LEU 30 3HB LEU 30 -3.373 -7.286 -9.366 229 HG LEU 30 HG LEU 30 -3.710 -5.605 -7.312 230 HD11 LEU 30 1HD1 LEU 30 -0.742 -6.204 -7.093 231 HD12 LEU 30 2HD1 LEU 30 -1.972 -6.487 -5.859 232 HD13 LEU 30 3HD1 LEU 30 -1.576 -4.844 -6.339 233 HD21 LEU 30 1HD2 LEU 30 -3.306 -4.864 -9.605 234 HD22 LEU 30 2HD2 LEU 30 -1.575 -5.158 -9.425 235 HD23 LEU 30 3HD2 LEU 30 -2.362 -3.902 -8.466 236 H LEU 31 H LEU 31 -4.796 -7.194 -5.511 237 HA LEU 31 HA LEU 31 -2.894 -8.001 -3.560 238 HB2 LEU 31 2HB LEU 31 -5.605 -6.664 -3.370 239 HB3 LEU 31 3HB LEU 31 -4.697 -7.075 -1.922 240 HG LEU 31 HG LEU 31 -3.723 -5.189 -4.113 241 HD11 LEU 31 1HD1 LEU 31 -4.062 -3.385 -2.494 242 HD12 LEU 31 2HD1 LEU 31 -4.727 -4.527 -1.323 243 HD13 LEU 31 3HD1 LEU 31 -5.583 -4.210 -2.833 244 HD21 LEU 31 1HD2 LEU 31 -1.913 -4.651 -2.533 245 HD22 LEU 31 2HD2 LEU 31 -1.869 -6.337 -3.040 246 HD23 LEU 31 3HD2 LEU 31 -2.488 -5.913 -1.440 247 H ASN 32 H ASN 32 -5.759 -9.590 -4.742 248 HA ASN 32 HA ASN 32 -6.054 -11.426 -2.525 249 HB2 ASN 32 2HB ASN 32 -6.991 -11.635 -5.427 250 HB3 ASN 32 3HB ASN 32 -7.339 -12.861 -4.212 251 HD21 ASN 32 1HD2 ASN 32 -8.140 -9.751 -5.419 252 HD22 ASN 32 2HD2 ASN 32 -9.483 -9.443 -4.388 253 H LYS 33 H LYS 33 -3.994 -11.222 -5.296 254 HA LYS 33 HA LYS 33 -3.249 -14.023 -5.418 255 HB2 LYS 33 2HB LYS 33 -2.072 -11.607 -6.881 256 HB3 LYS 33 3HB LYS 33 -1.781 -13.302 -7.278 257 HG2 LYS 33 2HG LYS 33 -4.179 -13.583 -7.853 258 HG3 LYS 33 3HG LYS 33 -4.462 -11.891 -7.431 259 HD2 LYS 33 2HD LYS 33 -4.282 -12.116 -9.853 260 HD3 LYS 33 3HD LYS 33 -2.928 -11.172 -9.235 261 HE2 LYS 33 2HE LYS 33 -2.151 -12.724 -10.935 262 HE3 LYS 33 3HE LYS 33 -1.493 -13.195 -9.370 263 HZ1 LYS 33 1HZ LYS 33 -2.274 -15.110 -10.620 264 HZ2 LYS 33 2HZ LYS 33 -3.830 -14.455 -10.717 265 HZ3 LYS 33 3HZ LYS 33 -3.200 -14.914 -9.219 266 H ILE 34 H ILE 34 -1.781 -10.975 -4.307 267 HA ILE 34 HA ILE 34 0.723 -12.392 -3.567 268 HB ILE 34 HB ILE 34 1.760 -10.129 -3.513 269 HG12 ILE 34 2HG1 ILE 34 -0.999 -9.170 -4.421 270 HG13 ILE 34 3HG1 ILE 34 -0.190 -8.757 -2.918 271 HG21 ILE 34 1HG2 ILE 34 1.760 -9.731 -5.948 272 HG22 ILE 34 2HG2 ILE 34 0.329 -10.747 -6.125 273 HG23 ILE 34 3HG2 ILE 34 1.854 -11.456 -5.588 274 HD11 ILE 34 1HD1 ILE 34 0.682 -7.927 -5.681 275 HD12 ILE 34 2HD1 ILE 34 1.512 -7.531 -4.176 276 HD13 ILE 34 3HD1 ILE 34 -0.112 -6.918 -4.472 277 H LEU 35 H LEU 35 -1.880 -10.468 -2.223 278 HA LEU 35 HA LEU 35 -0.783 -10.738 0.526 279 HB2 LEU 35 2HB LEU 35 -2.241 -8.509 -0.862 280 HB3 LEU 35 3HB LEU 35 -2.780 -8.841 0.772 281 HG LEU 35 HG LEU 35 -1.083 -7.007 0.619 282 HD11 LEU 35 1HD1 LEU 35 0.280 -7.712 2.529 283 HD12 LEU 35 2HD1 LEU 35 -0.164 -9.397 2.251 284 HD13 LEU 35 3HD1 LEU 35 -1.393 -8.227 2.725 285 HD21 LEU 35 1HD2 LEU 35 0.308 -7.913 -1.212 286 HD22 LEU 35 2HD2 LEU 35 0.885 -9.194 -0.146 287 HD23 LEU 35 3HD2 LEU 35 1.282 -7.511 0.204 288 H SER 36 H SER 36 -2.791 -10.606 2.121 289 HA SER 36 HA SER 36 -4.522 -12.858 1.498 290 HB2 SER 36 2HB SER 36 -4.342 -11.152 4.018 291 HB3 SER 36 3HB SER 36 -5.278 -12.641 3.846 292 HG SER 36 HG SER 36 -2.668 -12.914 3.080 293 HA PRO 37 HA PRO 37 -8.191 -10.464 0.133 294 HB2 PRO 37 2HB PRO 37 -9.620 -12.538 1.817 295 HB3 PRO 37 3HB PRO 37 -9.968 -11.992 0.159 296 HG2 PRO 37 2HG PRO 37 -8.759 -14.317 0.544 297 HG3 PRO 37 3HG PRO 37 -8.238 -13.246 -0.778 298 HD2 PRO 37 2HD PRO 37 -6.910 -13.774 1.866 299 HD3 PRO 37 3HD PRO 37 -6.183 -13.496 0.266 300 H ASP 38 H ASP 38 -7.766 -11.448 3.490 301 HA ASP 38 HA ASP 38 -9.444 -9.707 4.863 302 HB2 ASP 38 2HB ASP 38 -8.248 -11.525 5.962 303 HB3 ASP 38 3HB ASP 38 -6.688 -10.792 5.616 304 H VAL 39 H VAL 39 -6.131 -9.172 3.729 305 HA VAL 39 HA VAL 39 -5.629 -6.741 5.067 306 HB VAL 39 HB VAL 39 -4.281 -7.942 2.603 307 HG11 VAL 39 1HG1 VAL 39 -3.809 -5.539 2.679 308 HG12 VAL 39 2HG1 VAL 39 -2.362 -6.452 3.097 309 HG13 VAL 39 3HG1 VAL 39 -3.301 -5.661 4.365 310 HG21 VAL 39 1HG2 VAL 39 -3.480 -8.041 5.541 311 HG22 VAL 39 2HG2 VAL 39 -2.557 -8.720 4.198 312 HG23 VAL 39 3HG2 VAL 39 -4.142 -9.378 4.597 313 H LEU 40 H LEU 40 -6.505 -7.390 1.657 314 HA LEU 40 HA LEU 40 -6.483 -4.691 0.826 315 HB2 LEU 40 2HB LEU 40 -7.613 -5.449 -1.206 316 HB3 LEU 40 3HB LEU 40 -6.289 -6.502 -0.756 317 HG LEU 40 HG LEU 40 -8.279 -7.929 0.375 318 HD11 LEU 40 1HD1 LEU 40 -10.297 -7.978 -1.008 319 HD12 LEU 40 2HD1 LEU 40 -9.728 -6.578 -1.918 320 HD13 LEU 40 3HD1 LEU 40 -10.110 -6.422 -0.201 321 HD21 LEU 40 1HD2 LEU 40 -6.694 -8.779 -1.267 322 HD22 LEU 40 2HD2 LEU 40 -7.646 -8.065 -2.571 323 HD23 LEU 40 3HD2 LEU 40 -8.329 -9.354 -1.579 324 H ASP 41 H ASP 41 -8.923 -6.576 2.406 325 HA ASP 41 HA ASP 41 -11.226 -5.061 1.793 326 HB2 ASP 41 2HB ASP 41 -11.366 -7.361 2.725 327 HB3 ASP 41 3HB ASP 41 -10.672 -6.808 4.248 328 H GLN 42 H GLN 42 -9.244 -5.122 4.770 329 HA GLN 42 HA GLN 42 -10.488 -2.824 5.908 330 HB2 GLN 42 2HB GLN 42 -8.700 -2.992 7.640 331 HB3 GLN 42 3HB GLN 42 -9.547 -4.503 7.351 332 HG2 GLN 42 2HG GLN 42 -7.631 -5.221 5.884 333 HG3 GLN 42 3HG GLN 42 -6.770 -3.771 6.391 334 HE21 GLN 42 1HE2 GLN 42 -6.040 -6.558 6.749 335 HE22 GLN 42 2HE2 GLN 42 -5.871 -6.822 8.444 336 H VAL 43 H VAL 43 -7.811 -3.191 3.672 337 HA VAL 43 HA VAL 43 -6.731 -0.551 3.875 338 HB VAL 43 HB VAL 43 -6.706 -2.587 1.603 339 HG11 VAL 43 1HG1 VAL 43 -6.714 -0.388 0.513 340 HG12 VAL 43 2HG1 VAL 43 -5.128 -1.138 0.360 341 HG13 VAL 43 3HG1 VAL 43 -5.382 0.156 1.536 342 HG21 VAL 43 1HG2 VAL 43 -4.458 -1.500 3.346 343 HG22 VAL 43 2HG2 VAL 43 -4.299 -2.740 2.098 344 HG23 VAL 43 3HG2 VAL 43 -5.252 -3.064 3.544 345 H ARG 44 H ARG 44 -9.281 -1.951 1.721 346 HA ARG 44 HA ARG 44 -9.794 0.567 0.455 347 HB2 ARG 44 2HB ARG 44 -11.625 -0.527 -0.755 348 HB3 ARG 44 3HB ARG 44 -10.152 -1.477 -0.804 349 HG2 ARG 44 2HG ARG 44 -11.777 -3.107 -0.526 350 HG3 ARG 44 3HG ARG 44 -11.216 -2.858 1.121 351 HD2 ARG 44 2HD ARG 44 -13.212 -1.412 1.555 352 HD3 ARG 44 3HD ARG 44 -13.762 -1.718 -0.098 353 HE ARG 44 HE ARG 44 -13.318 -4.132 1.422 354 HH11 ARG 44 1HH1 ARG 44 -15.697 -1.600 0.793 355 HH12 ARG 44 2HH1 ARG 44 -17.042 -2.609 1.227 356 HH21 ARG 44 1HH2 ARG 44 -15.075 -5.408 1.984 357 HH22 ARG 44 2HH2 ARG 44 -16.691 -4.766 1.907 358 H GLU 45 H GLU 45 -10.990 -0.872 3.372 359 HA GLU 45 HA GLU 45 -13.298 0.800 3.679 360 HB2 GLU 45 2HB GLU 45 -11.648 -0.769 5.689 361 HB3 GLU 45 3HB GLU 45 -13.113 0.105 6.124 362 HG2 GLU 45 2HG GLU 45 -12.998 -2.121 4.070 363 HG3 GLU 45 3HG GLU 45 -13.432 -2.348 5.760 364 H HIS 46 H HIS 46 -9.982 0.985 5.046 365 HA HIS 46 HA HIS 46 -10.284 3.572 6.234 366 HB2 HIS 46 2HB HIS 46 -7.814 1.974 5.453 367 HB3 HIS 46 3HB HIS 46 -7.712 3.540 6.256 368 HD1 HIS 46 HD1 HIS 46 -7.596 0.101 7.072 369 HD2 HIS 46 HD2 HIS 46 -9.406 3.410 8.820 370 HE1 HIS 46 HE1 HIS 46 -7.930 -0.514 9.483 371 HE2 HIS 46 HE2 HIS 46 -9.094 1.471 10.495 372 H ALA 47 H ALA 47 -9.635 2.509 3.041 373 HA ALA 47 HA ALA 47 -8.576 4.817 1.822 374 HB1 ALA 47 1HB ALA 47 -8.611 2.605 0.785 375 HB2 ALA 47 2HB ALA 47 -9.396 3.797 -0.249 376 HB3 ALA 47 3HB ALA 47 -10.370 2.660 0.685 377 H ARG 48 H ARG 48 -11.898 3.784 2.496 378 HA ARG 48 HA ARG 48 -13.327 5.797 1.114 379 HB2 ARG 48 2HB ARG 48 -14.113 4.295 3.649 380 HB3 ARG 48 3HB ARG 48 -15.226 5.149 2.579 381 HG2 ARG 48 2HG ARG 48 -14.902 3.561 0.818 382 HG3 ARG 48 3HG ARG 48 -13.521 2.831 1.634 383 HD2 ARG 48 2HD ARG 48 -15.424 1.368 1.858 384 HD3 ARG 48 3HD ARG 48 -15.050 2.045 3.446 385 HE ARG 48 HE ARG 48 -16.965 3.695 2.346 386 HH11 ARG 48 1HH1 ARG 48 -16.799 0.263 3.247 387 HH12 ARG 48 2HH1 ARG 48 -18.502 0.158 3.575 388 HH21 ARG 48 1HH2 ARG 48 -19.177 3.531 2.792 389 HH22 ARG 48 2HH2 ARG 48 -19.845 2.017 3.312 390 H GLU 49 H GLU 49 -11.659 5.762 4.182 391 HA GLU 49 HA GLU 49 -12.834 8.108 5.316 392 HB2 GLU 49 2HB GLU 49 -10.131 6.833 5.925 393 HB3 GLU 49 3HB GLU 49 -10.959 8.018 6.926 394 HG2 GLU 49 2HG GLU 49 -11.931 5.225 6.312 395 HG3 GLU 49 3HG GLU 49 -11.187 5.744 7.820 396 H LEU 50 H LEU 50 -9.790 7.505 3.538 397 HA LEU 50 HA LEU 50 -8.885 10.196 3.419 398 HB2 LEU 50 2HB LEU 50 -8.260 7.815 1.631 399 HB3 LEU 50 3HB LEU 50 -7.396 9.345 1.560 400 HG LEU 50 HG LEU 50 -7.450 7.447 3.943 401 HD11 LEU 50 1HD1 LEU 50 -5.205 8.104 2.012 402 HD12 LEU 50 2HD1 LEU 50 -6.114 6.592 2.080 403 HD13 LEU 50 3HD1 LEU 50 -5.085 7.058 3.431 404 HD21 LEU 50 1HD2 LEU 50 -5.764 8.934 4.950 405 HD22 LEU 50 2HD2 LEU 50 -7.294 9.768 4.703 406 HD23 LEU 50 3HD2 LEU 50 -5.946 10.064 3.604 407 H GLN 51 H GLN 51 -10.972 8.286 1.351 408 HA GLN 51 HA GLN 51 -11.294 10.020 -0.844 409 HB2 GLN 51 2HB GLN 51 -12.062 7.613 -0.733 410 HB3 GLN 51 3HB GLN 51 -13.336 8.098 0.377 411 HG2 GLN 51 2HG GLN 51 -14.306 7.820 -1.791 412 HG3 GLN 51 3HG GLN 51 -14.284 9.548 -1.441 413 HE21 GLN 51 1HE2 GLN 51 -12.910 6.999 -3.359 414 HE22 GLN 51 2HE2 GLN 51 -12.114 8.001 -4.516 415 H LYS 52 H LYS 52 -13.027 9.711 2.230 416 HA LYS 52 HA LYS 52 -14.969 11.749 1.794 417 HB2 LYS 52 2HB LYS 52 -15.286 9.856 3.374 418 HB3 LYS 52 3HB LYS 52 -14.004 10.487 4.400 419 HG2 LYS 52 2HG LYS 52 -15.361 12.501 4.859 420 HG3 LYS 52 3HG LYS 52 -16.655 11.871 3.832 421 HD2 LYS 52 2HD LYS 52 -17.026 9.996 5.351 422 HD3 LYS 52 3HD LYS 52 -15.600 10.432 6.303 423 HE2 LYS 52 2HE LYS 52 -17.669 11.102 7.431 424 HE3 LYS 52 3HE LYS 52 -16.691 12.509 7.024 425 HZ1 LYS 52 1HZ LYS 52 -19.040 11.554 5.465 426 HZ2 LYS 52 2HZ LYS 52 -18.144 12.949 5.156 427 HZ3 LYS 52 3HZ LYS 52 -19.063 12.835 6.568 428 H GLN 53 H GLN 53 -11.738 11.711 3.160 429 HA GLN 53 HA GLN 53 -11.774 14.409 4.202 430 HB2 GLN 53 2HB GLN 53 -9.497 12.447 3.692 431 HB3 GLN 53 3HB GLN 53 -9.279 14.029 4.441 432 HG2 GLN 53 2HG GLN 53 -10.676 13.385 6.325 433 HG3 GLN 53 3HG GLN 53 -11.054 11.845 5.556 434 HE21 GLN 53 1HE2 GLN 53 -9.486 10.197 5.570 435 HE22 GLN 53 2HE2 GLN 53 -8.095 10.261 6.589 436 H GLY 54 H GLY 54 -11.366 13.013 1.092 437 HA2 GLY 54 2HA GLY 54 -11.101 13.946 -0.981 438 HA3 GLY 54 3HA GLY 54 -11.240 15.525 -0.226 439 H ILE 55 H ILE 55 -8.779 13.169 0.637 440 HA ILE 55 HA ILE 55 -6.666 15.075 0.086 441 HB ILE 55 HB ILE 55 -6.448 12.215 1.153 442 HG12 ILE 55 2HG1 ILE 55 -6.454 14.873 2.662 443 HG13 ILE 55 3HG1 ILE 55 -7.771 13.711 2.644 444 HG21 ILE 55 1HG2 ILE 55 -4.178 12.887 1.904 445 HG22 ILE 55 2HG2 ILE 55 -4.389 14.459 1.131 446 HG23 ILE 55 3HG2 ILE 55 -4.333 12.995 0.148 447 HD11 ILE 55 1HD1 ILE 55 -5.035 13.268 3.827 448 HD12 ILE 55 2HD1 ILE 55 -6.342 12.081 3.781 449 HD13 ILE 55 3HD1 ILE 55 -6.537 13.572 4.699 450 H HIS 56 H HIS 56 -6.444 15.300 -2.125 451 HA HIS 56 HA HIS 56 -6.045 13.010 -3.879 452 HB2 HIS 56 2HB HIS 56 -7.043 15.099 -4.788 453 HB3 HIS 56 3HB HIS 56 -5.608 16.009 -4.332 454 HD1 HIS 56 HD1 HIS 56 -7.000 13.890 -7.030 455 HD2 HIS 56 HD2 HIS 56 -3.297 15.475 -5.992 456 HE1 HIS 56 HE1 HIS 56 -5.550 13.630 -9.072 457 HE2 HIS 56 HE2 HIS 56 -3.278 14.419 -8.353 458 H PHE 57 H PHE 57 -4.194 11.880 -3.518 459 HA PHE 57 HA PHE 57 -1.650 13.365 -3.106 460 HB2 PHE 57 2HB PHE 57 -0.772 11.171 -2.190 461 HB3 PHE 57 3HB PHE 57 -2.030 11.911 -1.210 462 HD1 PHE 57 HD1 PHE 57 -1.348 9.167 -3.639 463 HD2 PHE 57 HD2 PHE 57 -4.098 10.754 -0.775 464 HE1 PHE 57 HE1 PHE 57 -2.644 7.079 -3.725 465 HE2 PHE 57 HE2 PHE 57 -5.388 8.656 -0.865 466 HZ PHE 57 HZ PHE 57 -4.656 6.829 -2.343 467 H GLU 58 H GLU 58 0.235 12.355 -4.178 468 HA GLU 58 HA GLU 58 -0.355 10.710 -6.544 469 HB2 GLU 58 2HB GLU 58 -0.484 13.128 -7.241 470 HB3 GLU 58 3HB GLU 58 1.180 13.346 -6.705 471 HG2 GLU 58 2HG GLU 58 1.944 11.708 -8.384 472 HG3 GLU 58 3HG GLU 58 0.283 11.458 -8.914 473 H VAL 59 H VAL 59 1.155 9.188 -6.826 474 HA VAL 59 HA VAL 59 3.356 8.855 -5.052 475 HB VAL 59 HB VAL 59 2.727 7.381 -7.656 476 HG11 VAL 59 1HG1 VAL 59 4.599 6.590 -5.395 477 HG12 VAL 59 2HG1 VAL 59 5.078 7.100 -7.016 478 HG13 VAL 59 3HG1 VAL 59 4.193 5.591 -6.794 479 HG21 VAL 59 1HG2 VAL 59 0.907 7.183 -6.008 480 HG22 VAL 59 2HG2 VAL 59 2.051 6.619 -4.789 481 HG23 VAL 59 3HG2 VAL 59 1.731 5.639 -6.223 482 H LYS 60 H LYS 60 5.466 9.242 -5.343 483 HA LYS 60 HA LYS 60 6.329 10.912 -7.642 484 HB2 LYS 60 2HB LYS 60 7.041 11.049 -4.680 485 HB3 LYS 60 3HB LYS 60 7.843 12.003 -5.918 486 HG2 LYS 60 2HG LYS 60 4.872 12.155 -5.328 487 HG3 LYS 60 3HG LYS 60 6.075 13.225 -4.609 488 HD2 LYS 60 2HD LYS 60 5.490 12.968 -7.583 489 HD3 LYS 60 3HD LYS 60 4.944 14.281 -6.538 490 HE2 LYS 60 2HE LYS 60 7.817 13.616 -7.258 491 HE3 LYS 60 3HE LYS 60 6.898 15.022 -7.781 492 HZ1 LYS 60 1HZ LYS 60 7.725 14.423 -4.985 493 HZ2 LYS 60 2HZ LYS 60 6.793 15.749 -5.467 494 HZ3 LYS 60 3HZ LYS 60 8.386 15.604 -6.003 495 H ARG 61 H ARG 61 7.452 8.733 -5.059 496 HA ARG 61 HA ARG 61 9.591 7.639 -6.764 497 HB2 ARG 61 2HB ARG 61 10.604 9.528 -5.492 498 HB3 ARG 61 3HB ARG 61 9.967 8.888 -3.987 499 HG2 ARG 61 2HG ARG 61 12.277 8.396 -4.007 500 HG3 ARG 61 3HG ARG 61 11.466 6.864 -4.326 501 HD2 ARG 61 2HD ARG 61 12.649 8.638 -6.486 502 HD3 ARG 61 3HD ARG 61 13.533 7.327 -5.713 503 HE ARG 61 HE ARG 61 11.141 7.003 -7.432 504 HH11 ARG 61 1HH1 ARG 61 14.164 5.702 -6.142 505 HH12 ARG 61 2HH1 ARG 61 14.062 4.234 -7.065 506 HH21 ARG 61 1HH2 ARG 61 10.995 5.050 -8.580 507 HH22 ARG 61 2HH2 ARG 61 12.261 3.868 -8.454 508 H VAL 62 H VAL 62 9.441 5.440 -6.609 509 HA VAL 62 HA VAL 62 8.362 4.218 -4.121 510 HB VAL 62 HB VAL 62 8.404 2.949 -6.923 511 HG11 VAL 62 1HG1 VAL 62 8.502 1.278 -5.107 512 HG12 VAL 62 2HG1 VAL 62 6.945 1.213 -5.930 513 HG13 VAL 62 3HG1 VAL 62 7.072 1.990 -4.351 514 HG21 VAL 62 1HG2 VAL 62 5.962 3.293 -6.959 515 HG22 VAL 62 2HG2 VAL 62 6.830 4.826 -6.865 516 HG23 VAL 62 3HG2 VAL 62 6.058 4.162 -5.424 517 H GLU 63 H GLU 63 10.017 3.522 -2.914 518 HA GLU 63 HA GLU 63 12.202 1.956 -4.175 519 HB2 GLU 63 2HB GLU 63 12.257 3.552 -1.567 520 HB3 GLU 63 3HB GLU 63 13.586 2.576 -2.191 521 HG2 GLU 63 2HG GLU 63 13.808 4.067 -4.127 522 HG3 GLU 63 3HG GLU 63 12.422 5.004 -3.581 523 H VAL 64 H VAL 64 12.703 -0.003 -3.140 524 HA VAL 64 HA VAL 64 10.909 -0.929 -1.001 525 HB VAL 64 HB VAL 64 9.827 -1.635 -3.062 526 HG11 VAL 64 1HG1 VAL 64 12.390 -3.013 -3.902 527 HG12 VAL 64 2HG1 VAL 64 11.697 -1.564 -4.630 528 HG13 VAL 64 3HG1 VAL 64 10.838 -3.101 -4.743 529 HG21 VAL 64 1HG2 VAL 64 9.720 -3.184 -1.172 530 HG22 VAL 64 2HG2 VAL 64 11.170 -4.013 -1.744 531 HG23 VAL 64 3HG2 VAL 64 9.690 -4.057 -2.704 532 H THR 65 H THR 65 12.242 -1.366 0.593 533 HA THR 65 HA THR 65 14.862 -2.683 0.131 534 HB THR 65 HB THR 65 14.052 -0.638 2.255 535 HG1 THR 65 HG1 THR 65 14.878 0.710 0.864 536 HG21 THR 65 1HG2 THR 65 16.721 -2.071 1.952 537 HG22 THR 65 2HG2 THR 65 15.576 -2.302 3.274 538 HG23 THR 65 3HG2 THR 65 16.382 -0.748 3.071 539 H THR 66 H THR 66 15.081 -4.623 1.087 540 HA THR 66 HA THR 66 12.999 -5.667 2.857 541 HB THR 66 HB THR 66 14.215 -7.843 2.573 542 HG1 THR 66 HG1 THR 66 16.027 -7.942 1.268 543 HG21 THR 66 1HG2 THR 66 13.638 -6.409 -0.050 544 HG22 THR 66 2HG2 THR 66 12.447 -7.240 0.953 545 HG23 THR 66 3HG2 THR 66 13.733 -8.158 0.169 546 H ASP 67 H ASP 67 13.681 -6.934 4.767 547 HA ASP 67 HA ASP 67 16.122 -6.341 6.172 548 HB2 ASP 67 2HB ASP 67 14.813 -4.203 6.495 549 HB3 ASP 67 3HB ASP 67 13.514 -5.131 7.239 550 H GLY 68 H GLY 68 16.313 -8.544 6.425 551 HA2 GLY 68 2HA GLY 68 16.009 -10.648 7.274 552 HA3 GLY 68 3HA GLY 68 14.808 -9.987 8.370 553 H ASN 69 H ASN 69 12.859 -10.959 8.119 554 HA ASN 69 HA ASN 69 12.035 -12.059 5.522 555 HB2 ASN 69 2HB ASN 69 10.089 -13.007 6.800 556 HB3 ASN 69 3HB ASN 69 11.655 -13.542 7.405 557 HD21 ASN 69 1HD2 ASN 69 10.639 -14.108 9.363 558 HD22 ASN 69 2HD2 ASN 69 10.225 -12.914 10.542 559 H THR 70 H THR 70 11.762 -9.142 7.130 560 HA THR 70 HA THR 70 9.065 -8.473 6.130 561 HB THR 70 HB THR 70 10.844 -6.999 8.127 562 HG1 THR 70 HG1 THR 70 9.582 -9.231 8.477 563 HG21 THR 70 1HG2 THR 70 8.811 -5.755 8.689 564 HG22 THR 70 2HG2 THR 70 7.898 -6.624 7.454 565 HG23 THR 70 3HG2 THR 70 9.200 -5.524 6.987 566 H VAL 71 H VAL 71 8.766 -6.795 4.679 567 HA VAL 71 HA VAL 71 11.176 -5.492 3.529 568 HB VAL 71 HB VAL 71 10.423 -7.156 1.979 569 HG11 VAL 71 1HG1 VAL 71 7.660 -6.029 2.031 570 HG12 VAL 71 2HG1 VAL 71 8.168 -7.537 2.789 571 HG13 VAL 71 3HG1 VAL 71 8.225 -7.368 1.030 572 HG21 VAL 71 1HG2 VAL 71 9.494 -4.455 0.987 573 HG22 VAL 71 2HG2 VAL 71 9.940 -5.826 -0.029 574 HG23 VAL 71 3HG2 VAL 71 11.160 -5.041 0.976 575 H ASN 72 H ASN 72 11.138 -3.427 3.876 576 HA ASN 72 HA ASN 72 8.677 -1.904 4.431 577 HB2 ASN 72 2HB ASN 72 11.633 -1.201 4.799 578 HB3 ASN 72 3HB ASN 72 10.290 -0.141 5.223 579 HD21 ASN 72 1HD2 ASN 72 11.940 -3.144 6.041 580 HD22 ASN 72 2HD2 ASN 72 11.271 -3.298 7.624 581 H VAL 73 H VAL 73 7.773 -1.187 2.576 582 HA VAL 73 HA VAL 73 9.377 -0.259 0.310 583 HB VAL 73 HB VAL 73 6.325 -0.329 0.618 584 HG11 VAL 73 1HG1 VAL 73 6.297 -0.078 -1.867 585 HG12 VAL 73 2HG1 VAL 73 8.046 0.151 -1.853 586 HG13 VAL 73 3HG1 VAL 73 6.996 1.324 -1.057 587 HG21 VAL 73 1HG2 VAL 73 7.302 -2.580 0.712 588 HG22 VAL 73 2HG2 VAL 73 8.182 -2.282 -0.788 589 HG23 VAL 73 3HG2 VAL 73 6.418 -2.354 -0.799 590 H THR 74 H THR 74 10.222 1.698 0.511 591 HA THR 74 HA THR 74 8.928 3.801 2.115 592 HB THR 74 HB THR 74 11.740 3.727 0.910 593 HG1 THR 74 HG1 THR 74 10.775 2.204 2.841 594 HG21 THR 74 1HG2 THR 74 10.971 5.997 1.588 595 HG22 THR 74 2HG2 THR 74 12.275 5.416 2.626 596 HG23 THR 74 3HG2 THR 74 10.607 5.391 3.204 597 H VAL 75 H VAL 75 7.543 4.977 0.889 598 HA VAL 75 HA VAL 75 8.229 5.725 -1.884 599 HB VAL 75 HB VAL 75 6.837 3.810 -2.193 600 HG11 VAL 75 1HG1 VAL 75 4.662 3.444 -1.140 601 HG12 VAL 75 2HG1 VAL 75 4.849 4.930 -0.205 602 HG13 VAL 75 3HG1 VAL 75 5.945 3.573 0.066 603 HG21 VAL 75 1HG2 VAL 75 6.248 5.652 -3.684 604 HG22 VAL 75 2HG2 VAL 75 5.062 6.251 -2.524 605 HG23 VAL 75 3HG2 VAL 75 4.816 4.690 -3.311 606 H GLU 76 H GLU 76 7.986 7.843 -2.224 607 HA GLU 76 HA GLU 76 6.685 9.554 -0.257 608 HB2 GLU 76 2HB GLU 76 8.884 10.205 -1.238 609 HB3 GLU 76 3HB GLU 76 8.154 10.283 -2.837 610 HG2 GLU 76 2HG GLU 76 6.583 12.054 -1.893 611 HG3 GLU 76 3HG GLU 76 7.610 12.098 -0.463 612 H LEU 77 H LEU 77 4.601 10.054 -0.433 613 HA LEU 77 HA LEU 77 3.425 10.645 -3.078 614 HB2 LEU 77 2HB LEU 77 1.880 9.707 -0.623 615 HB3 LEU 77 3HB LEU 77 1.228 10.070 -2.210 616 HG LEU 77 HG LEU 77 2.797 8.074 -3.019 617 HD11 LEU 77 1HD1 LEU 77 3.106 6.321 -1.369 618 HD12 LEU 77 2HD1 LEU 77 2.451 7.357 -0.099 619 HD13 LEU 77 3HD1 LEU 77 3.972 7.780 -0.889 620 HD21 LEU 77 1HD2 LEU 77 0.963 6.505 -2.672 621 HD22 LEU 77 2HD2 LEU 77 0.350 8.086 -3.148 622 HD23 LEU 77 3HD2 LEU 77 0.246 7.571 -1.461 623 H GLU 78 H GLU 78 2.995 12.782 -3.274 624 HA GLU 78 HA GLU 78 3.023 14.480 -0.887 625 HB2 GLU 78 2HB GLU 78 3.099 16.392 -2.457 626 HB3 GLU 78 3HB GLU 78 4.409 15.250 -2.716 627 HG2 GLU 78 2HG GLU 78 3.228 14.339 -4.683 628 HG3 GLU 78 3HG GLU 78 1.908 15.468 -4.395 629 H GLU 79 H GLU 79 1.253 14.942 0.114 630 HA GLU 79 HA GLU 79 -1.380 14.388 -0.997 631 HB2 GLU 79 2HB GLU 79 -0.515 15.206 1.815 632 HB3 GLU 79 3HB GLU 79 -2.119 14.639 1.353 633 HG2 GLU 79 2HG GLU 79 -1.123 12.444 0.694 634 HG3 GLU 79 3HG GLU 79 0.451 13.043 1.222 635 H THR 80 H THR 80 -2.053 16.007 -2.284 636 HA THR 80 HA THR 80 -2.133 18.793 -1.440 637 HB THR 80 HB THR 80 -3.426 17.526 -3.914 638 HG1 THR 80 HG1 THR 80 -0.836 18.708 -3.736 639 HG21 THR 80 1HG2 THR 80 -4.188 19.823 -3.357 640 HG22 THR 80 2HG2 THR 80 -3.258 19.788 -4.857 641 HG23 THR 80 3HG2 THR 80 -2.514 20.377 -3.369 642 H THR 81 H THR 81 -3.588 18.977 0.232 643 HA THR 81 HA THR 81 -6.418 18.442 -0.367 644 HB THR 81 HB THR 81 -5.701 16.591 1.103 645 HG1 THR 81 HG1 THR 81 -7.820 17.403 1.339 646 HG21 THR 81 1HG2 THR 81 -5.034 16.996 3.449 647 HG22 THR 81 2HG2 THR 81 -4.980 18.734 3.145 648 HG23 THR 81 3HG2 THR 81 -3.845 17.656 2.327 649 H GLY 82 H GLY 82 -7.791 20.041 0.256 650 HA2 GLY 82 2HA GLY 82 -8.522 22.120 0.878 651 HA3 GLY 82 3HA GLY 82 -7.309 22.084 2.147 652 H GLY 83 H GLY 83 -6.312 21.744 -1.189 653 HA2 GLY 83 2HA GLY 83 -5.439 23.321 -2.695 654 HA3 GLY 83 3HA GLY 83 -5.513 24.563 -1.453 655 H THR 84 H THR 84 -4.167 22.869 0.553 656 HA THR 84 HA THR 84 -1.447 23.597 -0.151 657 HB THR 84 HB THR 84 -0.934 23.025 2.234 658 HG1 THR 84 HG1 THR 84 -3.275 21.691 2.035 659 HG21 THR 84 1HG2 THR 84 -3.416 24.769 1.935 660 HG22 THR 84 2HG2 THR 84 -1.748 25.306 1.724 661 HG23 THR 84 3HG2 THR 84 -2.306 24.777 3.310 662 H THR 85 H THR 85 0.222 22.217 -0.598 663 HA THR 85 HA THR 85 -0.276 19.300 -0.635 664 HB THR 85 HB THR 85 1.835 20.865 -2.209 665 HG1 THR 85 HG1 THR 85 -0.423 21.312 -2.774 666 HG21 THR 85 1HG2 THR 85 2.382 18.460 -1.894 667 HG22 THR 85 2HG2 THR 85 1.994 18.815 -3.578 668 HG23 THR 85 3HG2 THR 85 0.807 18.010 -2.545 669 H THR 86 H THR 86 1.232 17.901 0.326 670 HA THR 86 HA THR 86 3.688 18.979 1.554 671 HB THR 86 HB THR 86 1.582 17.370 3.099 672 HG1 THR 86 HG1 THR 86 2.246 20.063 2.966 673 HG21 THR 86 1HG2 THR 86 3.856 16.629 3.754 674 HG22 THR 86 2HG2 THR 86 3.107 17.562 5.053 675 HG23 THR 86 3HG2 THR 86 4.334 18.303 4.025 676 H ASN 87 H ASN 87 5.337 17.648 0.982 677 HA ASN 87 HA ASN 87 4.877 15.120 -0.339 678 HB2 ASN 87 2HB ASN 87 7.461 16.556 0.446 679 HB3 ASN 87 3HB ASN 87 7.398 15.082 -0.521 680 HD21 ASN 87 1HD2 ASN 87 6.760 15.223 -2.674 681 HD22 ASN 87 2HD2 ASN 87 6.553 16.731 -3.493 682 H THR 88 H THR 88 4.221 13.519 0.945 683 HA THR 88 HA THR 88 5.431 13.080 3.613 684 HB THR 88 HB THR 88 2.752 12.139 2.477 685 HG1 THR 88 HG1 THR 88 1.896 13.809 3.522 686 HG21 THR 88 1HG2 THR 88 3.642 10.531 4.148 687 HG22 THR 88 2HG2 THR 88 2.240 11.399 4.776 688 HG23 THR 88 3HG2 THR 88 3.863 11.853 5.298 689 H THR 89 H THR 89 6.585 11.277 3.928 690 HA THR 89 HA THR 89 6.818 9.236 1.823 691 HB THR 89 HB THR 89 8.471 9.569 4.382 692 HG1 THR 89 HG1 THR 89 8.435 11.073 2.151 693 HG21 THR 89 1HG2 THR 89 9.058 8.033 1.809 694 HG22 THR 89 2HG2 THR 89 8.618 7.302 3.354 695 HG23 THR 89 3HG2 THR 89 10.136 8.181 3.198 696 H TYR 90 H TYR 90 5.568 7.463 2.032 697 HA TYR 90 HA TYR 90 4.599 6.524 4.659 698 HB2 TYR 90 2HB TYR 90 3.696 6.048 1.783 699 HB3 TYR 90 3HB TYR 90 3.139 5.019 3.098 700 HD1 TYR 90 HD1 TYR 90 2.893 8.406 1.604 701 HD2 TYR 90 HD2 TYR 90 1.577 5.854 4.761 702 HE1 TYR 90 HE1 TYR 90 1.052 9.967 2.099 703 HE2 TYR 90 HE2 TYR 90 -0.257 7.396 5.252 704 HH TYR 90 HH TYR 90 -1.125 9.988 3.173 705 H GLU 91 H GLU 91 5.604 4.828 5.534 706 HA GLU 91 HA GLU 91 7.200 2.974 3.859 707 HB2 GLU 91 2HB GLU 91 7.212 3.319 6.893 708 HB3 GLU 91 3HB GLU 91 8.282 2.276 5.963 709 HG2 GLU 91 2HG GLU 91 9.300 4.256 4.902 710 HG3 GLU 91 3HG GLU 91 8.233 5.311 5.832 711 H LEU 92 H LEU 92 5.813 1.410 3.160 712 HA LEU 92 HA LEU 92 3.783 0.278 4.951 713 HB2 LEU 92 2HB LEU 92 4.343 -0.229 1.996 714 HB3 LEU 92 3HB LEU 92 3.087 -1.032 2.922 715 HG LEU 92 HG LEU 92 2.072 1.286 3.358 716 HD11 LEU 92 1HD1 LEU 92 2.628 3.094 1.810 717 HD12 LEU 92 2HD1 LEU 92 3.952 2.136 1.143 718 HD13 LEU 92 3HD1 LEU 92 4.008 2.672 2.824 719 HD21 LEU 92 1HD2 LEU 92 2.155 0.322 0.487 720 HD22 LEU 92 2HD2 LEU 92 0.925 1.372 1.196 721 HD23 LEU 92 3HD2 LEU 92 1.094 -0.289 1.760 722 H ARG 93 H ARG 93 4.516 -1.186 6.295 723 HA ARG 93 HA ARG 93 6.931 -2.745 5.749 724 HB2 ARG 93 2HB ARG 93 6.555 -1.398 7.891 725 HB3 ARG 93 3HB ARG 93 5.289 -2.539 8.329 726 HG2 ARG 93 2HG ARG 93 6.976 -4.367 8.335 727 HG3 ARG 93 3HG ARG 93 8.221 -3.186 7.930 728 HD2 ARG 93 2HD ARG 93 7.596 -1.964 10.077 729 HD3 ARG 93 3HD ARG 93 6.620 -3.370 10.500 730 HE ARG 93 HE ARG 93 9.548 -3.215 10.337 731 HH11 ARG 93 1HH1 ARG 93 6.740 -5.218 11.077 732 HH12 ARG 93 2HH1 ARG 93 7.675 -6.418 11.908 733 HH21 ARG 93 1HH2 ARG 93 10.759 -4.797 11.394 734 HH22 ARG 93 2HH2 ARG 93 9.964 -6.178 12.084 735 H PHE 94 H PHE 94 6.335 -4.425 4.425 736 HA PHE 94 HA PHE 94 3.970 -6.060 4.969 737 HB2 PHE 94 2HB PHE 94 6.024 -6.176 2.714 738 HB3 PHE 94 3HB PHE 94 4.606 -7.208 2.825 739 HD1 PHE 94 HD1 PHE 94 5.877 -4.003 1.777 740 HD2 PHE 94 HD2 PHE 94 2.300 -6.155 2.707 741 HE1 PHE 94 HE1 PHE 94 4.537 -2.322 0.571 742 HE2 PHE 94 HE2 PHE 94 0.974 -4.474 1.498 743 HZ PHE 94 HZ PHE 94 2.090 -2.556 0.427 744 H GLU 95 H GLU 95 4.143 -7.746 6.306 745 HA GLU 95 HA GLU 95 6.746 -9.038 6.810 746 HB2 GLU 95 2HB GLU 95 5.176 -8.060 8.682 747 HB3 GLU 95 3HB GLU 95 4.186 -9.465 8.366 748 HG2 GLU 95 2HG GLU 95 6.040 -10.967 8.966 749 HG3 GLU 95 3HG GLU 95 7.064 -9.557 9.268 750 H VAL 96 H VAL 96 7.101 -10.957 5.778 751 HA VAL 96 HA VAL 96 4.884 -12.378 4.514 752 HB VAL 96 HB VAL 96 6.484 -13.715 3.346 753 HG11 VAL 96 1HG1 VAL 96 7.829 -12.019 2.175 754 HG12 VAL 96 2HG1 VAL 96 7.527 -10.864 3.477 755 HG13 VAL 96 3HG1 VAL 96 6.192 -11.453 2.486 756 HG21 VAL 96 1HG2 VAL 96 8.933 -13.642 3.718 757 HG22 VAL 96 2HG2 VAL 96 8.073 -14.259 5.126 758 HG23 VAL 96 3HG2 VAL 96 8.691 -12.607 5.130 759 H ASP 97 H ASP 97 4.114 -14.334 5.116 760 HA ASP 97 HA ASP 97 5.384 -15.866 7.305 761 HB2 ASP 97 2HB ASP 97 3.490 -14.593 8.291 762 HB3 ASP 97 3HB ASP 97 2.413 -15.218 7.061 763 H GLY 98 H GLY 98 5.766 -17.866 6.573 764 HA2 GLY 98 2HA GLY 98 5.731 -19.752 5.258 765 HA3 GLY 98 3HA GLY 98 4.162 -19.261 4.629 766 H ASP 99 H ASP 99 4.135 -18.667 2.547 767 HA ASP 99 HA ASP 99 6.643 -17.768 1.237 768 HB2 ASP 99 2HB ASP 99 4.250 -19.238 0.038 769 HB3 ASP 99 3HB ASP 99 5.619 -18.629 -0.887 770 H THR 100 H THR 100 3.424 -16.837 2.023 771 HA THR 100 HA THR 100 3.453 -14.618 0.056 772 HB THR 100 HB THR 100 1.555 -16.158 -0.273 773 HG1 THR 100 HG1 THR 100 1.025 -14.087 -0.783 774 HG21 THR 100 1HG2 THR 100 0.683 -15.441 2.550 775 HG22 THR 100 2HG2 THR 100 1.333 -16.999 2.044 776 HG23 THR 100 3HG2 THR 100 -0.207 -16.442 1.397 777 H ILE 101 H ILE 101 2.442 -12.582 0.805 778 HA ILE 101 HA ILE 101 3.446 -11.828 3.431 779 HB ILE 101 HB ILE 101 1.955 -10.092 1.396 780 HG12 ILE 101 2HG1 ILE 101 4.970 -10.397 1.770 781 HG13 ILE 101 3HG1 ILE 101 4.054 -11.051 0.424 782 HG21 ILE 101 1HG2 ILE 101 3.710 -9.327 3.766 783 HG22 ILE 101 2HG2 ILE 101 1.952 -9.181 3.688 784 HG23 ILE 101 3HG2 ILE 101 2.965 -8.200 2.629 785 HD11 ILE 101 1HD1 ILE 101 3.500 -8.785 -0.301 786 HD12 ILE 101 2HD1 ILE 101 5.240 -9.046 -0.202 787 HD13 ILE 101 3HD1 ILE 101 4.419 -8.125 1.056 788 H ARG 102 H ARG 102 2.199 -11.626 5.220 789 HA ARG 102 HA ARG 102 -0.735 -12.049 5.003 790 HB2 ARG 102 2HB ARG 102 1.245 -12.957 7.127 791 HB3 ARG 102 3HB ARG 102 -0.500 -13.086 7.319 792 HG2 ARG 102 2HG ARG 102 1.184 -14.482 5.218 793 HG3 ARG 102 3HG ARG 102 0.441 -15.228 6.636 794 HD2 ARG 102 2HD ARG 102 -1.799 -14.512 5.713 795 HD3 ARG 102 3HD ARG 102 -0.954 -14.018 4.246 796 HE ARG 102 HE ARG 102 -0.217 -16.611 4.587 797 HH11 ARG 102 1HH1 ARG 102 -3.323 -14.947 4.300 798 HH12 ARG 102 2HH1 ARG 102 -4.117 -16.322 3.593 799 HH21 ARG 102 1HH2 ARG 102 -1.297 -18.410 3.724 800 HH22 ARG 102 2HH2 ARG 102 -2.968 -18.277 3.270 801 H ARG 103 H ARG 103 1.625 -9.801 5.993 802 HA ARG 103 HA ARG 103 -0.317 -8.335 7.668 803 HB2 ARG 103 2HB ARG 103 1.199 -9.714 9.133 804 HB3 ARG 103 3HB ARG 103 2.579 -8.882 8.455 805 HG2 ARG 103 2HG ARG 103 2.062 -8.005 10.664 806 HG3 ARG 103 3HG ARG 103 1.793 -6.751 9.449 807 HD2 ARG 103 2HD ARG 103 -0.581 -7.038 9.571 808 HD3 ARG 103 3HD ARG 103 -0.425 -8.502 10.545 809 HE ARG 103 HE ARG 103 0.148 -5.747 11.470 810 HH11 ARG 103 1HH1 ARG 103 -0.616 -9.095 12.243 811 HH12 ARG 103 2HH1 ARG 103 -0.857 -8.775 13.931 812 HH21 ARG 103 1HH2 ARG 103 -0.173 -5.349 13.689 813 HH22 ARG 103 2HH2 ARG 103 -0.607 -6.660 14.742 814 H VAL 104 H VAL 104 -0.108 -6.109 7.607 815 HA VAL 104 HA VAL 104 2.235 -4.864 6.335 816 HB VAL 104 HB VAL 104 0.525 -4.988 4.546 817 HG11 VAL 104 1HG1 VAL 104 -1.609 -3.779 4.663 818 HG12 VAL 104 2HG1 VAL 104 -1.295 -3.363 6.350 819 HG13 VAL 104 3HG1 VAL 104 -1.518 -5.050 5.885 820 HG21 VAL 104 1HG2 VAL 104 2.060 -3.072 4.532 821 HG22 VAL 104 2HG2 VAL 104 0.945 -2.134 5.526 822 HG23 VAL 104 3HG2 VAL 104 0.487 -2.603 3.886 823 H THR 105 H THR 105 2.877 -3.002 7.401 824 HA THR 105 HA THR 105 0.965 -1.587 9.155 825 HB THR 105 HB THR 105 3.879 -2.174 9.876 826 HG1 THR 105 HG1 THR 105 1.451 -3.413 10.520 827 HG21 THR 105 1HG2 THR 105 1.706 -0.748 11.476 828 HG22 THR 105 2HG2 THR 105 3.130 0.011 10.769 829 HG23 THR 105 3HG2 THR 105 3.327 -1.157 12.069 830 H VAL 106 H VAL 106 0.687 0.230 7.938 831 HA VAL 106 HA VAL 106 2.933 1.470 6.511 832 HB VAL 106 HB VAL 106 0.802 1.223 5.290 833 HG11 VAL 106 1HG1 VAL 106 -1.215 2.507 5.849 834 HG12 VAL 106 2HG1 VAL 106 -0.447 3.089 7.328 835 HG13 VAL 106 3HG1 VAL 106 -0.800 1.372 7.137 836 HG21 VAL 106 1HG2 VAL 106 0.624 3.517 4.411 837 HG22 VAL 106 2HG2 VAL 106 2.305 3.071 4.690 838 HG23 VAL 106 3HG2 VAL 106 1.477 4.139 5.825 839 H THR 107 H THR 107 3.944 3.291 7.201 840 HA THR 107 HA THR 107 2.934 4.720 9.596 841 HB THR 107 HB THR 107 5.864 4.223 8.852 842 HG1 THR 107 HG1 THR 107 4.041 2.854 10.521 843 HG21 THR 107 1HG2 THR 107 6.325 5.037 11.142 844 HG22 THR 107 2HG2 THR 107 4.611 5.384 11.371 845 HG23 THR 107 3HG2 THR 107 5.542 6.286 10.172 846 H GLN 108 H GLN 108 2.318 6.690 9.074 847 HA GLN 108 HA GLN 108 3.110 8.045 6.640 848 HB2 GLN 108 2HB GLN 108 0.766 8.112 7.522 849 HB3 GLN 108 3HB GLN 108 1.332 8.994 8.936 850 HG2 GLN 108 2HG GLN 108 2.000 10.884 7.515 851 HG3 GLN 108 3HG GLN 108 1.523 9.981 6.074 852 HE21 GLN 108 1HE2 GLN 108 0.020 11.524 5.430 853 HE22 GLN 108 2HE2 GLN 108 -1.468 11.798 6.263 854 H ASN 109 H ASN 109 5.083 8.912 6.631 855 HA ASN 109 HA ASN 109 6.186 10.342 8.996 856 HB2 ASN 109 2HB ASN 109 7.612 8.789 6.777 857 HB3 ASN 109 3HB ASN 109 8.445 9.751 7.998 858 HD21 ASN 109 1HD2 ASN 109 8.466 6.859 7.364 859 HD22 ASN 109 2HD2 ASN 109 8.123 6.061 8.859 860 H GLY 110 H GLY 110 5.885 12.512 8.618 861 HA2 GLY 110 2HA GLY 110 6.136 13.716 5.973 862 HA3 GLY 110 3HA GLY 110 5.813 14.545 7.488 863 H GLY 111 H GLY 111 8.465 12.680 5.944 864 HA2 GLY 111 2HA GLY 111 10.726 13.104 5.749 865 HA3 GLY 111 3HA GLY 111 10.458 14.731 6.354 866 H SER 112 H SER 112 9.461 11.816 8.030 867 HA SER 112 HA SER 112 10.849 12.547 10.433 868 HB2 SER 112 2HB SER 112 9.334 9.967 9.848 869 HB3 SER 112 3HB SER 112 9.691 10.662 11.433 870 HG SER 112 HG SER 112 7.572 11.171 10.855 871 H LEU 113 H LEU 113 12.908 12.078 10.834 872 HA LEU 113 HA LEU 113 14.992 11.225 10.803 873 HB2 LEU 113 2HB LEU 113 13.584 8.563 10.345 874 HB3 LEU 113 3HB LEU 113 15.245 8.757 10.878 875 HG LEU 113 HG LEU 113 12.768 9.551 12.463 876 HD11 LEU 113 1HD1 LEU 113 13.089 7.126 12.386 877 HD12 LEU 113 2HD1 LEU 113 13.377 7.757 14.002 878 HD13 LEU 113 3HD1 LEU 113 14.744 7.306 12.979 879 HD21 LEU 113 1HD2 LEU 113 15.685 9.785 13.269 880 HD22 LEU 113 2HD2 LEU 113 14.298 10.082 14.321 881 HD23 LEU 113 3HD2 LEU 113 14.580 11.119 12.926 882 H GLU 114 H GLU 114 13.940 12.254 8.399 883 HA GLU 114 HA GLU 114 14.724 10.833 6.079 884 HB2 GLU 114 2HB GLU 114 13.158 12.896 6.308 885 HB3 GLU 114 3HB GLU 114 14.616 13.870 6.360 886 HG2 GLU 114 2HG GLU 114 14.003 12.022 4.038 887 HG3 GLU 114 3HG GLU 114 13.372 13.660 4.114 888 H HIS 115 H HIS 115 16.691 11.001 4.858 889 HA HIS 115 HA HIS 115 18.842 10.657 6.686 890 HB2 HIS 115 2HB HIS 115 18.514 9.198 4.714 891 HB3 HIS 115 3HB HIS 115 18.923 10.535 3.642 892 HD1 HIS 115 HD1 HIS 115 20.492 8.363 6.331 893 HD2 HIS 115 HD2 HIS 115 21.647 10.840 3.198 894 HE1 HIS 115 HE1 HIS 115 22.985 8.124 6.161 895 HE2 HIS 115 HE2 HIS 115 23.621 9.467 4.136 896 H HIS 116 H HIS 116 18.232 13.168 4.202 897 HA HIS 116 HA HIS 116 20.760 14.470 4.987 898 HB2 HIS 116 2HB HIS 116 20.606 15.825 2.979 899 HB3 HIS 116 3HB HIS 116 20.449 14.128 2.573 900 HD1 HIS 116 HD1 HIS 116 18.225 13.378 1.478 901 HD2 HIS 116 HD2 HIS 116 18.354 17.422 2.410 902 HE1 HIS 116 HE1 HIS 116 16.344 14.428 0.190 903 HE2 HIS 116 HE2 HIS 116 16.563 16.889 0.632 904 H HIS 117 H HIS 117 20.797 16.057 6.365 905 HA HIS 117 HA HIS 117 18.465 17.292 7.469 906 HB2 HIS 117 2HB HIS 117 21.415 18.033 7.755 907 HB3 HIS 117 3HB HIS 117 20.114 18.764 8.692 908 HD1 HIS 117 HD1 HIS 117 19.731 17.696 10.915 909 HD2 HIS 117 HD2 HIS 117 21.523 15.068 8.241 910 HE1 HIS 117 HE1 HIS 117 20.134 15.579 12.211 911 HE2 HIS 117 HE2 HIS 117 21.036 13.954 10.513 912 H HIS 118 H HIS 118 17.291 18.363 5.915 913 HA HIS 118 HA HIS 118 18.555 19.901 3.811 914 HB2 HIS 118 2HB HIS 118 16.204 20.107 2.909 915 HB3 HIS 118 3HB HIS 118 16.757 18.455 3.149 916 HD1 HIS 118 HD1 HIS 118 14.465 21.014 4.705 917 HD2 HIS 118 HD2 HIS 118 15.158 16.917 4.796 918 HE1 HIS 118 HE1 HIS 118 12.575 20.042 6.038 919 HE2 HIS 118 HE2 HIS 118 13.140 17.599 6.257 920 H HIS 119 H HIS 119 18.423 20.931 6.717 921 HA HIS 119 HA HIS 119 18.630 23.617 5.738 922 HB2 HIS 119 2HB HIS 119 17.156 24.761 7.265 923 HB3 HIS 119 3HB HIS 119 16.201 23.541 6.429 924 HD1 HIS 119 HD1 HIS 119 15.746 21.301 7.941 925 HD2 HIS 119 HD2 HIS 119 16.900 24.732 9.981 926 HE1 HIS 119 HE1 HIS 119 15.096 20.914 10.339 927 HE2 HIS 119 HE2 HIS 119 15.914 22.946 11.555 928 H HIS 120 H HIS 120 20.362 24.504 6.629 929 HA HIS 120 HA HIS 120 21.058 24.429 9.360 930 HB2 HIS 120 2HB HIS 120 23.308 23.297 9.191 931 HB3 HIS 120 3HB HIS 120 21.949 22.197 8.996 932 HD1 HIS 120 HD1 HIS 120 24.881 23.628 7.177 933 HD2 HIS 120 HD2 HIS 120 21.785 20.944 6.473 934 HE1 HIS 120 HE1 HIS 120 25.510 22.417 5.072 935 HE2 HIS 120 HE2 HIS 120 23.735 20.663 4.797 Start of MODEL 14 1 H1 MET 1 1H MET 1 1.233 -14.279 -5.318 2 H2 MET 1 2H MET 1 1.443 -15.786 -6.044 3 H3 MET 1 3H MET 1 0.583 -14.585 -6.852 4 HA MET 1 HA MET 1 2.799 -14.870 -7.752 5 HB2 MET 1 2HB MET 1 2.368 -12.232 -6.292 6 HB3 MET 1 3HB MET 1 3.484 -12.459 -7.628 7 HG2 MET 1 2HG MET 1 1.727 -12.703 -9.197 8 HG3 MET 1 3HG MET 1 0.531 -13.019 -7.947 9 HE1 MET 1 1HE MET 1 2.826 -10.165 -9.553 10 HE2 MET 1 2HE MET 1 3.185 -10.029 -7.830 11 HE3 MET 1 3HE MET 1 2.264 -8.764 -8.642 12 H GLN 2 H GLN 2 4.627 -15.833 -7.201 13 HA GLN 2 HA GLN 2 5.514 -16.193 -4.501 14 HB2 GLN 2 2HB GLN 2 7.238 -17.629 -5.475 15 HB3 GLN 2 3HB GLN 2 5.696 -17.940 -6.268 16 HG2 GLN 2 2HG GLN 2 6.445 -16.432 -8.152 17 HG3 GLN 2 3HG GLN 2 8.028 -16.349 -7.386 18 HE21 GLN 2 1HE2 GLN 2 5.793 -18.366 -9.141 19 HE22 GLN 2 2HE2 GLN 2 6.918 -19.621 -9.523 20 H ASP 3 H ASP 3 6.203 -13.887 -6.924 21 HA ASP 3 HA ASP 3 8.897 -13.170 -6.295 22 HB2 ASP 3 2HB ASP 3 6.726 -11.521 -7.690 23 HB3 ASP 3 3HB ASP 3 8.464 -11.226 -7.762 24 H ILE 4 H ILE 4 8.961 -12.852 -4.047 25 HA ILE 4 HA ILE 4 6.994 -11.523 -2.519 26 HB ILE 4 HB ILE 4 9.834 -12.376 -1.864 27 HG12 ILE 4 2HG1 ILE 4 8.289 -14.244 -2.254 28 HG13 ILE 4 3HG1 ILE 4 8.721 -14.189 -0.551 29 HG21 ILE 4 1HG2 ILE 4 9.333 -12.034 0.556 30 HG22 ILE 4 2HG2 ILE 4 7.837 -11.212 0.106 31 HG23 ILE 4 3HG2 ILE 4 9.394 -10.523 -0.356 32 HD11 ILE 4 1HD1 ILE 4 6.389 -14.721 -0.838 33 HD12 ILE 4 2HD1 ILE 4 6.121 -13.247 -1.765 34 HD13 ILE 4 3HD1 ILE 4 6.542 -13.151 -0.052 35 H VAL 5 H VAL 5 10.184 -10.385 -3.668 36 HA VAL 5 HA VAL 5 10.275 -7.870 -2.396 37 HB VAL 5 HB VAL 5 11.462 -8.585 -5.133 38 HG11 VAL 5 1HG1 VAL 5 12.327 -6.453 -3.138 39 HG12 VAL 5 2HG1 VAL 5 11.527 -6.158 -4.683 40 HG13 VAL 5 3HG1 VAL 5 13.153 -6.842 -4.650 41 HG21 VAL 5 1HG2 VAL 5 12.159 -10.233 -3.451 42 HG22 VAL 5 2HG2 VAL 5 12.699 -8.941 -2.379 43 HG23 VAL 5 3HG2 VAL 5 13.527 -9.215 -3.914 44 H GLU 6 H GLU 6 9.226 -8.795 -5.638 45 HA GLU 6 HA GLU 6 8.266 -6.253 -6.487 46 HB2 GLU 6 2HB GLU 6 9.106 -7.963 -8.041 47 HB3 GLU 6 3HB GLU 6 7.803 -9.055 -7.586 48 HG2 GLU 6 2HG GLU 6 6.149 -7.552 -8.596 49 HG3 GLU 6 3HG GLU 6 7.414 -6.378 -8.971 50 H ALA 7 H ALA 7 6.823 -8.903 -4.738 51 HA ALA 7 HA ALA 7 4.068 -8.394 -5.208 52 HB1 ALA 7 1HB ALA 7 4.848 -10.536 -4.283 53 HB2 ALA 7 2HB ALA 7 3.671 -9.789 -3.201 54 HB3 ALA 7 3HB ALA 7 5.397 -9.728 -2.813 55 H ALA 8 H ALA 8 6.162 -7.651 -2.420 56 HA ALA 8 HA ALA 8 4.352 -6.056 -0.989 57 HB1 ALA 8 1HB ALA 8 6.319 -5.360 0.304 58 HB2 ALA 8 2HB ALA 8 7.383 -6.027 -0.941 59 HB3 ALA 8 3HB ALA 8 6.338 -7.098 -0.002 60 H LYS 9 H LYS 9 6.729 -5.222 -3.471 61 HA LYS 9 HA LYS 9 6.667 -2.428 -3.388 62 HB2 LYS 9 2HB LYS 9 8.326 -3.634 -4.701 63 HB3 LYS 9 3HB LYS 9 7.077 -4.359 -5.708 64 HG2 LYS 9 2HG LYS 9 6.535 -2.109 -6.628 65 HG3 LYS 9 3HG LYS 9 7.830 -1.414 -5.643 66 HD2 LYS 9 2HD LYS 9 9.509 -2.737 -6.847 67 HD3 LYS 9 3HD LYS 9 8.245 -3.569 -7.760 68 HE2 LYS 9 2HE LYS 9 8.833 -0.589 -7.909 69 HE3 LYS 9 3HE LYS 9 9.352 -1.794 -9.089 70 HZ1 LYS 9 1HZ LYS 9 7.382 -0.688 -9.846 71 HZ2 LYS 9 2HZ LYS 9 6.546 -1.078 -8.435 72 HZ3 LYS 9 3HZ LYS 9 7.003 -2.303 -9.508 73 H GLN 10 H GLN 10 4.804 -4.604 -5.534 74 HA GLN 10 HA GLN 10 3.129 -2.564 -6.615 75 HB2 GLN 10 2HB GLN 10 2.908 -5.604 -6.683 76 HB3 GLN 10 3HB GLN 10 1.850 -4.526 -7.594 77 HG2 GLN 10 2HG GLN 10 4.862 -4.753 -7.922 78 HG3 GLN 10 3HG GLN 10 3.650 -5.439 -9.000 79 HE21 GLN 10 1HE2 GLN 10 1.875 -3.168 -9.023 80 HE22 GLN 10 2HE2 GLN 10 2.666 -1.914 -9.901 81 H ALA 11 H ALA 11 2.947 -4.520 -3.779 82 HA ALA 11 HA ALA 11 0.158 -4.435 -3.251 83 HB1 ALA 11 1HB ALA 11 0.779 -5.127 -0.982 84 HB2 ALA 11 2HB ALA 11 2.473 -4.742 -1.307 85 HB3 ALA 11 3HB ALA 11 1.683 -6.054 -2.179 86 H ALA 12 H ALA 12 2.932 -2.474 -2.191 87 HA ALA 12 HA ALA 12 1.610 -0.682 -0.503 88 HB1 ALA 12 1HB ALA 12 4.075 -0.186 -2.205 89 HB2 ALA 12 2HB ALA 12 4.056 -0.903 -0.593 90 HB3 ALA 12 3HB ALA 12 3.564 0.777 -0.808 91 H ILE 13 H ILE 13 2.335 -0.495 -3.958 92 HA ILE 13 HA ILE 13 1.257 2.038 -4.550 93 HB ILE 13 HB ILE 13 1.415 -0.371 -6.434 94 HG12 ILE 13 2HG1 ILE 13 3.591 1.721 -5.945 95 HG13 ILE 13 3HG1 ILE 13 3.604 0.106 -5.248 96 HG21 ILE 13 1HG2 ILE 13 1.462 2.609 -7.061 97 HG22 ILE 13 2HG2 ILE 13 0.109 1.514 -7.346 98 HG23 ILE 13 3HG2 ILE 13 1.613 1.303 -8.242 99 HD11 ILE 13 1HD1 ILE 13 5.060 0.244 -7.174 100 HD12 ILE 13 2HD1 ILE 13 3.715 0.756 -8.193 101 HD13 ILE 13 3HD1 ILE 13 3.725 -0.866 -7.489 102 H ALA 14 H ALA 14 -0.169 -1.213 -4.521 103 HA ALA 14 HA ALA 14 -2.690 -0.558 -5.692 104 HB1 ALA 14 1HB ALA 14 -1.718 -2.800 -5.827 105 HB2 ALA 14 2HB ALA 14 -3.315 -2.853 -5.077 106 HB3 ALA 14 3HB ALA 14 -1.861 -2.988 -4.079 107 H ILE 15 H ILE 15 -1.536 -0.790 -2.356 108 HA ILE 15 HA ILE 15 -4.006 -0.605 -0.996 109 HB ILE 15 HB ILE 15 -1.138 0.055 -0.208 110 HG12 ILE 15 2HG1 ILE 15 -3.087 -2.113 0.715 111 HG13 ILE 15 3HG1 ILE 15 -1.757 -2.339 -0.413 112 HG21 ILE 15 1HG2 ILE 15 -1.837 0.412 2.140 113 HG22 ILE 15 2HG2 ILE 15 -3.528 0.349 1.645 114 HG23 ILE 15 3HG2 ILE 15 -2.494 1.656 1.072 115 HD11 ILE 15 1HD1 ILE 15 -0.167 -1.823 1.393 116 HD12 ILE 15 2HD1 ILE 15 -1.187 -3.214 1.749 117 HD13 ILE 15 3HD1 ILE 15 -1.520 -1.663 2.517 118 H PHE 16 H PHE 16 -1.721 1.858 -2.167 119 HA PHE 16 HA PHE 16 -3.219 4.132 -1.318 120 HB2 PHE 16 2HB PHE 16 -1.041 3.824 -3.416 121 HB3 PHE 16 3HB PHE 16 -1.729 5.382 -2.956 122 HD1 PHE 16 HD1 PHE 16 -1.971 5.359 -0.108 123 HD2 PHE 16 HD2 PHE 16 1.123 3.642 -2.517 124 HE1 PHE 16 HE1 PHE 16 -0.400 5.539 1.769 125 HE2 PHE 16 HE2 PHE 16 2.668 3.828 -0.629 126 HZ PHE 16 HZ PHE 16 1.913 4.774 1.501 127 H GLN 17 H GLN 17 -3.147 2.237 -4.316 128 HA GLN 17 HA GLN 17 -4.744 3.905 -5.928 129 HB2 GLN 17 2HB GLN 17 -4.158 0.935 -6.006 130 HB3 GLN 17 3HB GLN 17 -5.306 1.645 -7.139 131 HG2 GLN 17 2HG GLN 17 -3.556 3.140 -8.005 132 HG3 GLN 17 3HG GLN 17 -2.402 2.471 -6.849 133 HE21 GLN 17 1HE2 GLN 17 -1.083 1.890 -8.653 134 HE22 GLN 17 2HE2 GLN 17 -1.432 0.487 -9.592 135 H LEU 18 H LEU 18 -5.618 1.330 -3.631 136 HA LEU 18 HA LEU 18 -8.434 1.507 -4.076 137 HB2 LEU 18 2HB LEU 18 -6.856 0.412 -1.713 138 HB3 LEU 18 3HB LEU 18 -8.607 0.315 -1.834 139 HG LEU 18 HG LEU 18 -6.602 -1.040 -3.691 140 HD11 LEU 18 1HD1 LEU 18 -7.465 -3.139 -2.783 141 HD12 LEU 18 2HD1 LEU 18 -8.532 -2.254 -1.689 142 HD13 LEU 18 3HD1 LEU 18 -6.779 -2.133 -1.508 143 HD21 LEU 18 1HD2 LEU 18 -8.561 -0.353 -4.992 144 HD22 LEU 18 2HD2 LEU 18 -9.641 -1.119 -3.823 145 HD23 LEU 18 3HD2 LEU 18 -8.537 -2.104 -4.789 146 H TRP 19 H TRP 19 -6.193 3.129 -1.810 147 HA TRP 19 HA TRP 19 -8.168 4.389 -0.214 148 HB2 TRP 19 2HB TRP 19 -5.228 4.957 -0.639 149 HB3 TRP 19 3HB TRP 19 -6.207 5.985 0.398 150 HD1 TRP 19 HD1 TRP 19 -7.591 2.724 1.091 151 HE1 TRP 19 HE1 TRP 19 -6.501 1.643 3.143 152 HE3 TRP 19 HE3 TRP 19 -3.443 5.699 1.481 153 HZ2 TRP 19 HZ2 TRP 19 -4.198 1.987 4.730 154 HZ3 TRP 19 HZ3 TRP 19 -1.843 5.256 3.304 155 HH2 TRP 19 HH2 TRP 19 -2.216 3.439 4.897 156 H LYS 20 H LYS 20 -6.734 5.350 -3.273 157 HA LYS 20 HA LYS 20 -8.065 7.987 -3.197 158 HB2 LYS 20 2HB LYS 20 -6.707 8.541 -5.166 159 HB3 LYS 20 3HB LYS 20 -5.695 7.940 -3.858 160 HG2 LYS 20 2HG LYS 20 -5.808 5.648 -5.056 161 HG3 LYS 20 3HG LYS 20 -6.438 6.539 -6.444 162 HD2 LYS 20 2HD LYS 20 -3.747 6.985 -5.080 163 HD3 LYS 20 3HD LYS 20 -4.006 6.183 -6.632 164 HE2 LYS 20 2HE LYS 20 -4.716 9.082 -6.073 165 HE3 LYS 20 3HE LYS 20 -3.217 8.552 -6.834 166 HZ1 LYS 20 1HZ LYS 20 -4.894 9.252 -8.441 167 HZ2 LYS 20 2HZ LYS 20 -5.935 8.036 -7.907 168 HZ3 LYS 20 3HZ LYS 20 -4.472 7.630 -8.648 169 H ASN 21 H ASN 21 -8.423 4.847 -4.555 170 HA ASN 21 HA ASN 21 -10.925 5.524 -5.877 171 HB2 ASN 21 2HB ASN 21 -9.170 5.984 -7.642 172 HB3 ASN 21 3HB ASN 21 -8.617 4.325 -7.498 173 HD21 ASN 21 1HD2 ASN 21 -9.972 2.652 -8.299 174 HD22 ASN 21 2HD2 ASN 21 -11.222 2.972 -9.445 175 HA PRO 22 HA PRO 22 -10.690 1.465 -3.560 176 HB2 PRO 22 2HB PRO 22 -13.394 1.406 -2.827 177 HB3 PRO 22 3HB PRO 22 -12.108 2.193 -1.889 178 HG2 PRO 22 2HG PRO 22 -14.094 3.419 -3.757 179 HG3 PRO 22 3HG PRO 22 -13.454 4.038 -2.224 180 HD2 PRO 22 2HD PRO 22 -12.576 4.961 -4.638 181 HD3 PRO 22 3HD PRO 22 -11.528 4.900 -3.205 182 H THR 23 H THR 23 -12.674 2.444 -6.217 183 HA THR 23 HA THR 23 -13.789 -0.154 -6.830 184 HB THR 23 HB THR 23 -14.623 0.991 -8.908 185 HG1 THR 23 HG1 THR 23 -13.413 2.625 -9.499 186 HG21 THR 23 1HG2 THR 23 -15.125 2.570 -6.357 187 HG22 THR 23 2HG2 THR 23 -15.988 1.110 -6.848 188 HG23 THR 23 3HG2 THR 23 -16.143 2.588 -7.801 189 H ASP 24 H ASP 24 -10.648 0.855 -7.094 190 HA ASP 24 HA ASP 24 -9.959 0.296 -9.791 191 HB2 ASP 24 2HB ASP 24 -8.537 1.576 -8.066 192 HB3 ASP 24 3HB ASP 24 -8.054 0.011 -7.419 193 HA PRO 25 HA PRO 25 -10.713 -4.140 -9.254 194 HB2 PRO 25 2HB PRO 25 -10.549 -4.918 -11.866 195 HB3 PRO 25 3HB PRO 25 -11.916 -3.961 -11.255 196 HG2 PRO 25 2HG PRO 25 -9.492 -3.020 -12.766 197 HG3 PRO 25 3HG PRO 25 -11.203 -2.590 -13.007 198 HD2 PRO 25 2HD PRO 25 -9.462 -0.993 -11.611 199 HD3 PRO 25 3HD PRO 25 -11.203 -1.045 -11.264 200 H GLU 26 H GLU 26 -7.861 -2.853 -10.909 201 HA GLU 26 HA GLU 26 -6.423 -5.330 -11.094 202 HB2 GLU 26 2HB GLU 26 -5.412 -2.459 -11.295 203 HB3 GLU 26 3HB GLU 26 -4.516 -3.895 -11.784 204 HG2 GLU 26 2HG GLU 26 -7.077 -2.857 -13.035 205 HG3 GLU 26 3HG GLU 26 -5.457 -2.731 -13.719 206 H ALA 27 H ALA 27 -6.475 -2.605 -8.863 207 HA ALA 27 HA ALA 27 -4.174 -3.145 -7.351 208 HB1 ALA 27 1HB ALA 27 -5.148 -1.584 -5.702 209 HB2 ALA 27 2HB ALA 27 -6.713 -1.691 -6.516 210 HB3 ALA 27 3HB ALA 27 -5.333 -0.968 -7.346 211 H GLN 28 H GLN 28 -7.609 -3.794 -6.573 212 HA GLN 28 HA GLN 28 -7.101 -5.267 -4.213 213 HB2 GLN 28 2HB GLN 28 -9.489 -5.878 -4.291 214 HB3 GLN 28 3HB GLN 28 -9.247 -4.163 -4.610 215 HG2 GLN 28 2HG GLN 28 -9.503 -4.636 -7.062 216 HG3 GLN 28 3HG GLN 28 -9.880 -6.310 -6.662 217 HE21 GLN 28 1HE2 GLN 28 -11.033 -3.008 -6.600 218 HE22 GLN 28 2HE2 GLN 28 -12.677 -3.382 -6.215 219 H GLU 29 H GLU 29 -7.333 -6.245 -7.613 220 HA GLU 29 HA GLU 29 -7.703 -9.028 -7.314 221 HB2 GLU 29 2HB GLU 29 -8.023 -7.894 -9.479 222 HB3 GLU 29 3HB GLU 29 -6.305 -7.515 -9.570 223 HG2 GLU 29 2HG GLU 29 -5.813 -9.973 -9.633 224 HG3 GLU 29 3HG GLU 29 -7.546 -10.288 -9.636 225 H LEU 30 H LEU 30 -4.657 -7.207 -7.920 226 HA LEU 30 HA LEU 30 -2.984 -9.471 -7.726 227 HB2 LEU 30 2HB LEU 30 -1.097 -7.925 -7.726 228 HB3 LEU 30 3HB LEU 30 -2.284 -7.485 -8.931 229 HG LEU 30 HG LEU 30 -3.065 -5.684 -7.144 230 HD11 LEU 30 1HD1 LEU 30 -0.226 -6.156 -6.197 231 HD12 LEU 30 2HD1 LEU 30 -1.699 -6.432 -5.264 232 HD13 LEU 30 3HD1 LEU 30 -1.258 -4.798 -5.744 233 HD21 LEU 30 1HD2 LEU 30 -2.119 -5.106 -9.312 234 HD22 LEU 30 2HD2 LEU 30 -0.481 -5.350 -8.697 235 HD23 LEU 30 3HD2 LEU 30 -1.485 -4.042 -8.060 236 H LEU 31 H LEU 31 -4.252 -7.265 -5.328 237 HA LEU 31 HA LEU 31 -2.593 -8.000 -3.149 238 HB2 LEU 31 2HB LEU 31 -5.310 -6.672 -3.304 239 HB3 LEU 31 3HB LEU 31 -4.570 -7.046 -1.755 240 HG LEU 31 HG LEU 31 -3.357 -5.207 -3.861 241 HD11 LEU 31 1HD1 LEU 31 -4.678 -4.488 -1.226 242 HD12 LEU 31 2HD1 LEU 31 -5.346 -4.204 -2.836 243 HD13 LEU 31 3HD1 LEU 31 -3.877 -3.368 -2.335 244 HD21 LEU 31 1HD2 LEU 31 -2.416 -5.831 -1.041 245 HD22 LEU 31 2HD2 LEU 31 -1.725 -4.607 -2.112 246 HD23 LEU 31 3HD2 LEU 31 -1.619 -6.311 -2.544 247 H ASN 32 H ASN 32 -5.487 -9.563 -4.509 248 HA ASN 32 HA ASN 32 -5.818 -11.410 -2.300 249 HB2 ASN 32 2HB ASN 32 -6.830 -11.496 -5.177 250 HB3 ASN 32 3HB ASN 32 -7.126 -12.809 -4.043 251 HD21 ASN 32 1HD2 ASN 32 -8.040 -9.622 -4.995 252 HD22 ASN 32 2HD2 ASN 32 -9.340 -9.436 -3.874 253 H LYS 33 H LYS 33 -3.757 -11.192 -5.041 254 HA LYS 33 HA LYS 33 -3.006 -14.014 -5.109 255 HB2 LYS 33 2HB LYS 33 -2.097 -11.630 -6.794 256 HB3 LYS 33 3HB LYS 33 -1.717 -13.323 -7.127 257 HG2 LYS 33 2HG LYS 33 -4.012 -13.841 -7.624 258 HG3 LYS 33 3HG LYS 33 -4.573 -12.307 -6.965 259 HD2 LYS 33 2HD LYS 33 -4.688 -12.241 -9.392 260 HD3 LYS 33 3HD LYS 33 -3.468 -11.100 -8.827 261 HE2 LYS 33 2HE LYS 33 -1.684 -12.630 -9.476 262 HE3 LYS 33 3HE LYS 33 -2.862 -13.876 -9.897 263 HZ1 LYS 33 1HZ LYS 33 -2.672 -11.228 -11.222 264 HZ2 LYS 33 2HZ LYS 33 -3.682 -12.506 -11.667 265 HZ3 LYS 33 3HZ LYS 33 -2.007 -12.653 -11.835 266 H ILE 34 H ILE 34 -1.892 -11.109 -3.559 267 HA ILE 34 HA ILE 34 0.711 -12.420 -2.907 268 HB ILE 34 HB ILE 34 1.780 -10.195 -2.738 269 HG12 ILE 34 2HG1 ILE 34 -0.893 -9.114 -3.744 270 HG13 ILE 34 3HG1 ILE 34 -0.120 -8.747 -2.215 271 HG21 ILE 34 1HG2 ILE 34 0.473 -10.640 -5.443 272 HG22 ILE 34 2HG2 ILE 34 1.923 -11.454 -4.849 273 HG23 ILE 34 3HG2 ILE 34 1.947 -9.716 -5.138 274 HD11 ILE 34 1HD1 ILE 34 0.834 -7.924 -4.944 275 HD12 ILE 34 2HD1 ILE 34 1.683 -7.615 -3.426 276 HD13 ILE 34 3HD1 ILE 34 0.096 -6.904 -3.708 277 H LEU 35 H LEU 35 -1.726 -10.111 -1.695 278 HA LEU 35 HA LEU 35 -0.859 -10.486 1.096 279 HB2 LEU 35 2HB LEU 35 -2.495 -8.421 -0.375 280 HB3 LEU 35 3HB LEU 35 -2.966 -8.733 1.279 281 HG LEU 35 HG LEU 35 -1.470 -6.762 1.040 282 HD11 LEU 35 1HD1 LEU 35 0.024 -7.263 2.899 283 HD12 LEU 35 2HD1 LEU 35 -0.251 -8.995 2.687 284 HD13 LEU 35 3HD1 LEU 35 -1.576 -7.942 3.175 285 HD21 LEU 35 1HD2 LEU 35 0.931 -7.044 0.588 286 HD22 LEU 35 2HD2 LEU 35 -0.052 -7.497 -0.803 287 HD23 LEU 35 3HD2 LEU 35 0.665 -8.751 0.211 288 H SER 36 H SER 36 -2.739 -10.649 2.663 289 HA SER 36 HA SER 36 -4.423 -12.912 1.981 290 HB2 SER 36 2HB SER 36 -4.185 -11.319 4.568 291 HB3 SER 36 3HB SER 36 -4.953 -12.898 4.379 292 HG SER 36 HG SER 36 -2.281 -12.557 3.573 293 HA PRO 37 HA PRO 37 -8.059 -10.737 0.566 294 HB2 PRO 37 2HB PRO 37 -10.091 -12.251 1.837 295 HB3 PRO 37 3HB PRO 37 -9.295 -12.661 0.305 296 HG2 PRO 37 2HG PRO 37 -8.670 -13.645 3.073 297 HG3 PRO 37 3HG PRO 37 -8.729 -14.549 1.542 298 HD2 PRO 37 2HD PRO 37 -6.373 -13.858 2.573 299 HD3 PRO 37 3HD PRO 37 -6.637 -13.714 0.817 300 H ASP 38 H ASP 38 -7.910 -11.316 4.052 301 HA ASP 38 HA ASP 38 -9.746 -9.358 4.940 302 HB2 ASP 38 2HB ASP 38 -9.075 -11.024 6.511 303 HB3 ASP 38 3HB ASP 38 -7.368 -10.744 6.216 304 H VAL 39 H VAL 39 -6.235 -9.196 4.341 305 HA VAL 39 HA VAL 39 -5.765 -6.698 5.575 306 HB VAL 39 HB VAL 39 -4.072 -8.003 3.389 307 HG11 VAL 39 1HG1 VAL 39 -3.354 -5.934 5.511 308 HG12 VAL 39 2HG1 VAL 39 -3.446 -5.661 3.768 309 HG13 VAL 39 3HG1 VAL 39 -2.200 -6.717 4.432 310 HG21 VAL 39 1HG2 VAL 39 -3.904 -8.362 6.408 311 HG22 VAL 39 2HG2 VAL 39 -2.751 -9.001 5.234 312 HG23 VAL 39 3HG2 VAL 39 -4.418 -9.584 5.240 313 H LEU 40 H LEU 40 -6.477 -7.570 2.198 314 HA LEU 40 HA LEU 40 -6.118 -4.886 1.211 315 HB2 LEU 40 2HB LEU 40 -6.880 -5.729 -0.910 316 HB3 LEU 40 3HB LEU 40 -5.752 -6.860 -0.196 317 HG LEU 40 HG LEU 40 -8.157 -7.970 0.618 318 HD11 LEU 40 1HD1 LEU 40 -9.530 -6.378 -0.636 319 HD12 LEU 40 2HD1 LEU 40 -9.721 -8.014 -1.257 320 HD13 LEU 40 3HD1 LEU 40 -8.733 -6.846 -2.141 321 HD21 LEU 40 1HD2 LEU 40 -6.757 -8.578 -1.992 322 HD22 LEU 40 2HD2 LEU 40 -7.830 -9.657 -1.092 323 HD23 LEU 40 3HD2 LEU 40 -6.286 -9.170 -0.397 324 H ASP 41 H ASP 41 -8.728 -6.700 2.601 325 HA ASP 41 HA ASP 41 -10.884 -5.161 1.510 326 HB2 ASP 41 2HB ASP 41 -11.103 -7.567 2.284 327 HB3 ASP 41 3HB ASP 41 -11.011 -6.990 3.950 328 H GLN 42 H GLN 42 -9.248 -5.232 4.690 329 HA GLN 42 HA GLN 42 -10.664 -3.105 5.877 330 HB2 GLN 42 2HB GLN 42 -8.713 -2.944 7.449 331 HB3 GLN 42 3HB GLN 42 -9.338 -4.579 7.269 332 HG2 GLN 42 2HG GLN 42 -7.494 -5.149 5.771 333 HG3 GLN 42 3HG GLN 42 -6.888 -3.499 5.859 334 HE21 GLN 42 1HE2 GLN 42 -4.884 -4.230 6.572 335 HE22 GLN 42 2HE2 GLN 42 -4.623 -4.825 8.174 336 H VAL 43 H VAL 43 -7.883 -3.145 3.686 337 HA VAL 43 HA VAL 43 -7.143 -0.416 3.818 338 HB VAL 43 HB VAL 43 -6.777 -2.550 1.675 339 HG11 VAL 43 1HG1 VAL 43 -5.714 0.297 1.507 340 HG12 VAL 43 2HG1 VAL 43 -6.908 -0.432 0.430 341 HG13 VAL 43 3HG1 VAL 43 -5.250 -1.035 0.442 342 HG21 VAL 43 1HG2 VAL 43 -4.783 -1.135 3.492 343 HG22 VAL 43 2HG2 VAL 43 -4.399 -2.422 2.346 344 HG23 VAL 43 3HG2 VAL 43 -5.428 -2.759 3.739 345 H ARG 44 H ARG 44 -9.372 -2.093 1.539 346 HA ARG 44 HA ARG 44 -10.070 0.292 0.121 347 HB2 ARG 44 2HB ARG 44 -11.805 -1.104 -1.023 348 HB3 ARG 44 3HB ARG 44 -10.190 -1.799 -1.072 349 HG2 ARG 44 2HG ARG 44 -10.865 -3.251 0.885 350 HG3 ARG 44 3HG ARG 44 -12.515 -2.683 0.651 351 HD2 ARG 44 2HD ARG 44 -10.909 -4.062 -1.525 352 HD3 ARG 44 3HD ARG 44 -11.918 -4.941 -0.380 353 HE ARG 44 HE ARG 44 -12.882 -3.051 -2.450 354 HH11 ARG 44 1HH1 ARG 44 -13.568 -5.692 -0.201 355 HH12 ARG 44 2HH1 ARG 44 -15.156 -5.978 -0.843 356 HH21 ARG 44 1HH2 ARG 44 -14.969 -3.477 -3.287 357 HH22 ARG 44 2HH2 ARG 44 -15.944 -4.729 -2.584 358 H GLU 45 H GLU 45 -11.244 -1.040 3.103 359 HA GLU 45 HA GLU 45 -13.657 0.603 3.218 360 HB2 GLU 45 2HB GLU 45 -12.220 -0.965 5.399 361 HB3 GLU 45 3HB GLU 45 -13.792 -0.181 5.581 362 HG2 GLU 45 2HG GLU 45 -14.726 -1.651 3.832 363 HG3 GLU 45 3HG GLU 45 -13.160 -2.440 3.661 364 H HIS 46 H HIS 46 -10.319 0.784 4.444 365 HA HIS 46 HA HIS 46 -10.654 3.261 5.880 366 HB2 HIS 46 2HB HIS 46 -8.139 1.787 4.980 367 HB3 HIS 46 3HB HIS 46 -8.098 3.288 5.907 368 HD1 HIS 46 HD1 HIS 46 -7.387 0.091 6.678 369 HD2 HIS 46 HD2 HIS 46 -10.318 2.605 8.208 370 HE1 HIS 46 HE1 HIS 46 -7.975 -0.848 8.927 371 HE2 HIS 46 HE2 HIS 46 -9.881 0.574 9.732 372 H ALA 47 H ALA 47 -10.192 2.416 2.601 373 HA ALA 47 HA ALA 47 -9.283 4.722 1.363 374 HB1 ALA 47 1HB ALA 47 -9.744 2.592 0.216 375 HB2 ALA 47 2HB ALA 47 -10.567 3.933 -0.582 376 HB3 ALA 47 3HB ALA 47 -11.477 2.831 0.456 377 H ARG 48 H ARG 48 -12.455 3.948 2.713 378 HA ARG 48 HA ARG 48 -14.041 5.984 1.683 379 HB2 ARG 48 2HB ARG 48 -14.200 4.662 4.428 380 HB3 ARG 48 3HB ARG 48 -15.463 5.686 3.747 381 HG2 ARG 48 2HG ARG 48 -15.701 4.039 1.862 382 HG3 ARG 48 3HG ARG 48 -14.542 2.992 2.683 383 HD2 ARG 48 2HD ARG 48 -16.041 2.783 4.607 384 HD3 ARG 48 3HD ARG 48 -17.156 3.955 3.902 385 HE ARG 48 HE ARG 48 -16.670 1.544 2.339 386 HH11 ARG 48 1HH1 ARG 48 -18.803 3.127 4.666 387 HH12 ARG 48 2HH1 ARG 48 -20.147 2.084 4.325 388 HH21 ARG 48 1HH2 ARG 48 -18.448 0.172 1.925 389 HH22 ARG 48 2HH2 ARG 48 -19.941 0.414 2.773 390 H GLU 49 H GLU 49 -11.713 6.065 4.339 391 HA GLU 49 HA GLU 49 -12.607 8.427 5.616 392 HB2 GLU 49 2HB GLU 49 -9.749 7.366 5.612 393 HB3 GLU 49 3HB GLU 49 -10.500 8.395 6.830 394 HG2 GLU 49 2HG GLU 49 -11.035 5.466 6.269 395 HG3 GLU 49 3HG GLU 49 -10.355 6.177 7.729 396 H LEU 50 H LEU 50 -9.908 7.898 3.318 397 HA LEU 50 HA LEU 50 -9.128 10.654 3.217 398 HB2 LEU 50 2HB LEU 50 -8.391 8.342 1.376 399 HB3 LEU 50 3HB LEU 50 -7.578 9.902 1.419 400 HG LEU 50 HG LEU 50 -7.630 7.865 3.690 401 HD11 LEU 50 1HD1 LEU 50 -5.240 7.572 3.238 402 HD12 LEU 50 2HD1 LEU 50 -5.353 8.670 1.859 403 HD13 LEU 50 3HD1 LEU 50 -6.220 7.132 1.840 404 HD21 LEU 50 1HD2 LEU 50 -7.564 10.141 4.592 405 HD22 LEU 50 2HD2 LEU 50 -6.195 10.543 3.550 406 HD23 LEU 50 3HD2 LEU 50 -6.013 9.337 4.828 407 H GLN 51 H GLN 51 -11.154 8.585 1.219 408 HA GLN 51 HA GLN 51 -11.500 10.337 -1.003 409 HB2 GLN 51 2HB GLN 51 -11.892 7.951 -1.224 410 HB3 GLN 51 3HB GLN 51 -13.134 7.977 0.025 411 HG2 GLN 51 2HG GLN 51 -14.596 9.310 -1.449 412 HG3 GLN 51 3HG GLN 51 -13.339 9.327 -2.689 413 HE21 GLN 51 1HE2 GLN 51 -14.826 8.330 -4.137 414 HE22 GLN 51 2HE2 GLN 51 -15.176 6.647 -4.037 415 H LYS 52 H LYS 52 -13.458 9.713 1.914 416 HA LYS 52 HA LYS 52 -15.654 11.415 1.356 417 HB2 LYS 52 2HB LYS 52 -15.692 9.581 3.007 418 HB3 LYS 52 3HB LYS 52 -14.531 10.435 4.012 419 HG2 LYS 52 2HG LYS 52 -16.210 12.206 4.438 420 HG3 LYS 52 3HG LYS 52 -17.371 11.336 3.422 421 HD2 LYS 52 2HD LYS 52 -17.292 9.399 4.959 422 HD3 LYS 52 3HD LYS 52 -16.085 10.221 5.954 423 HE2 LYS 52 2HE LYS 52 -18.930 11.189 5.505 424 HE3 LYS 52 3HE LYS 52 -18.355 10.333 6.938 425 HZ1 LYS 52 1HZ LYS 52 -18.366 12.647 7.403 426 HZ2 LYS 52 2HZ LYS 52 -17.509 13.014 5.996 427 HZ3 LYS 52 3HZ LYS 52 -16.747 12.181 7.252 428 H GLN 53 H GLN 53 -12.628 11.952 3.122 429 HA GLN 53 HA GLN 53 -13.172 14.685 3.850 430 HB2 GLN 53 2HB GLN 53 -10.612 13.038 3.860 431 HB3 GLN 53 3HB GLN 53 -10.717 14.682 4.491 432 HG2 GLN 53 2HG GLN 53 -12.353 13.959 6.172 433 HG3 GLN 53 3HG GLN 53 -12.317 12.316 5.529 434 HE21 GLN 53 1HE2 GLN 53 -10.475 11.034 5.894 435 HE22 GLN 53 2HE2 GLN 53 -9.308 11.424 7.101 436 H GLY 54 H GLY 54 -11.936 13.143 0.997 437 HA2 GLY 54 2HA GLY 54 -11.592 14.031 -1.099 438 HA3 GLY 54 3HA GLY 54 -11.901 15.638 -0.455 439 H ILE 55 H ILE 55 -9.472 13.492 0.869 440 HA ILE 55 HA ILE 55 -7.368 15.440 0.458 441 HB ILE 55 HB ILE 55 -7.246 12.650 1.719 442 HG12 ILE 55 2HG1 ILE 55 -7.494 15.383 3.069 443 HG13 ILE 55 3HG1 ILE 55 -8.797 14.210 2.912 444 HG21 ILE 55 1HG2 ILE 55 -5.222 14.927 1.861 445 HG22 ILE 55 2HG2 ILE 55 -5.012 13.412 0.980 446 HG23 ILE 55 3HG2 ILE 55 -5.114 13.399 2.740 447 HD11 ILE 55 1HD1 ILE 55 -7.515 12.638 4.313 448 HD12 ILE 55 2HD1 ILE 55 -7.894 14.152 5.132 449 HD13 ILE 55 3HD1 ILE 55 -6.264 13.871 4.518 450 H HIS 56 H HIS 56 -6.644 15.531 -1.666 451 HA HIS 56 HA HIS 56 -6.133 13.113 -3.206 452 HB2 HIS 56 2HB HIS 56 -6.869 15.120 -4.439 453 HB3 HIS 56 3HB HIS 56 -5.478 16.026 -3.849 454 HD1 HIS 56 HD1 HIS 56 -6.451 13.403 -6.358 455 HD2 HIS 56 HD2 HIS 56 -3.032 15.439 -5.173 456 HE1 HIS 56 HE1 HIS 56 -4.713 12.880 -8.088 457 HE2 HIS 56 HE2 HIS 56 -2.615 14.000 -7.272 458 H PHE 57 H PHE 57 -4.476 11.933 -2.495 459 HA PHE 57 HA PHE 57 -1.829 13.203 -2.091 460 HB2 PHE 57 2HB PHE 57 -1.162 11.051 -1.028 461 HB3 PHE 57 3HB PHE 57 -2.533 11.778 -0.202 462 HD1 PHE 57 HD1 PHE 57 -1.351 8.879 -2.069 463 HD2 PHE 57 HD2 PHE 57 -4.846 10.788 -0.491 464 HE1 PHE 57 HE1 PHE 57 -2.619 6.796 -2.331 465 HE2 PHE 57 HE2 PHE 57 -6.096 8.682 -0.753 466 HZ PHE 57 HZ PHE 57 -4.976 6.697 -1.674 467 H GLU 58 H GLU 58 -0.118 12.483 -3.387 468 HA GLU 58 HA GLU 58 -0.857 10.965 -5.836 469 HB2 GLU 58 2HB GLU 58 -0.566 13.489 -6.117 470 HB3 GLU 58 3HB GLU 58 1.120 13.288 -5.663 471 HG2 GLU 58 2HG GLU 58 0.981 13.436 -8.066 472 HG3 GLU 58 3HG GLU 58 1.433 11.785 -7.639 473 H VAL 59 H VAL 59 0.298 9.140 -6.009 474 HA VAL 59 HA VAL 59 2.609 8.589 -4.350 475 HB VAL 59 HB VAL 59 1.307 6.918 -6.554 476 HG11 VAL 59 1HG1 VAL 59 3.328 6.044 -4.450 477 HG12 VAL 59 2HG1 VAL 59 3.635 6.182 -6.181 478 HG13 VAL 59 3HG1 VAL 59 2.500 4.971 -5.582 479 HG21 VAL 59 1HG2 VAL 59 0.230 5.667 -4.709 480 HG22 VAL 59 2HG2 VAL 59 -0.240 7.368 -4.691 481 HG23 VAL 59 3HG2 VAL 59 0.953 6.771 -3.534 482 H LYS 60 H LYS 60 4.398 9.661 -4.895 483 HA LYS 60 HA LYS 60 4.964 10.484 -7.634 484 HB2 LYS 60 2HB LYS 60 6.501 11.097 -5.067 485 HB3 LYS 60 3HB LYS 60 6.709 11.892 -6.627 486 HG2 LYS 60 2HG LYS 60 4.262 12.031 -4.839 487 HG3 LYS 60 3HG LYS 60 5.442 13.315 -5.113 488 HD2 LYS 60 2HD LYS 60 3.594 12.137 -7.230 489 HD3 LYS 60 3HD LYS 60 3.325 13.654 -6.373 490 HE2 LYS 60 2HE LYS 60 5.746 13.120 -8.127 491 HE3 LYS 60 3HE LYS 60 4.273 13.906 -8.688 492 HZ1 LYS 60 1HZ LYS 60 4.620 15.675 -7.120 493 HZ2 LYS 60 2HZ LYS 60 6.005 15.486 -8.071 494 HZ3 LYS 60 3HZ LYS 60 5.986 14.911 -6.482 495 H ARG 61 H ARG 61 6.496 8.539 -5.093 496 HA ARG 61 HA ARG 61 8.189 7.174 -7.076 497 HB2 ARG 61 2HB ARG 61 9.511 9.125 -6.222 498 HB3 ARG 61 3HB ARG 61 9.290 8.549 -4.573 499 HG2 ARG 61 2HG ARG 61 10.550 6.438 -5.242 500 HG3 ARG 61 3HG ARG 61 10.889 7.217 -6.792 501 HD2 ARG 61 2HD ARG 61 12.814 7.527 -5.350 502 HD3 ARG 61 3HD ARG 61 12.020 9.091 -5.546 503 HE ARG 61 HE ARG 61 11.926 7.377 -3.136 504 HH11 ARG 61 1HH1 ARG 61 11.487 10.570 -4.553 505 HH12 ARG 61 2HH1 ARG 61 11.274 11.346 -3.020 506 HH21 ARG 61 1HH2 ARG 61 11.669 8.408 -1.149 507 HH22 ARG 61 2HH2 ARG 61 11.378 10.121 -1.094 508 H VAL 62 H VAL 62 8.563 5.061 -6.522 509 HA VAL 62 HA VAL 62 7.862 4.111 -3.794 510 HB VAL 62 HB VAL 62 7.386 2.642 -6.446 511 HG11 VAL 62 1HG1 VAL 62 6.392 0.813 -5.089 512 HG12 VAL 62 2HG1 VAL 62 6.872 1.648 -3.609 513 HG13 VAL 62 3HG1 VAL 62 8.104 1.032 -4.714 514 HG21 VAL 62 1HG2 VAL 62 4.990 2.760 -5.844 515 HG22 VAL 62 2HG2 VAL 62 5.690 4.373 -5.985 516 HG23 VAL 62 3HG2 VAL 62 5.396 3.676 -4.390 517 H GLU 63 H GLU 63 9.505 3.128 -2.806 518 HA GLU 63 HA GLU 63 11.776 1.994 -4.353 519 HB2 GLU 63 2HB GLU 63 11.840 3.466 -1.668 520 HB3 GLU 63 3HB GLU 63 13.223 2.635 -2.385 521 HG2 GLU 63 2HG GLU 63 13.248 4.200 -4.255 522 HG3 GLU 63 3HG GLU 63 11.781 4.985 -3.663 523 H VAL 64 H VAL 64 11.932 -0.145 -3.991 524 HA VAL 64 HA VAL 64 10.609 -1.362 -1.648 525 HB VAL 64 HB VAL 64 9.903 -2.244 -3.825 526 HG11 VAL 64 1HG1 VAL 64 12.790 -3.036 -4.356 527 HG12 VAL 64 2HG1 VAL 64 11.885 -1.775 -5.196 528 HG13 VAL 64 3HG1 VAL 64 11.400 -3.465 -5.361 529 HG21 VAL 64 1HG2 VAL 64 9.923 -3.799 -1.942 530 HG22 VAL 64 2HG2 VAL 64 11.583 -4.271 -2.314 531 HG23 VAL 64 3HG2 VAL 64 10.279 -4.656 -3.442 532 H THR 65 H THR 65 11.812 -2.106 0.022 533 HA THR 65 HA THR 65 14.704 -2.708 -0.330 534 HB THR 65 HB THR 65 13.435 -1.083 1.930 535 HG1 THR 65 HG1 THR 65 15.208 -0.389 -0.191 536 HG21 THR 65 1HG2 THR 65 15.724 -0.762 2.790 537 HG22 THR 65 2HG2 THR 65 16.358 -1.836 1.543 538 HG23 THR 65 3HG2 THR 65 15.296 -2.478 2.798 539 H THR 66 H THR 66 15.120 -4.734 0.355 540 HA THR 66 HA THR 66 13.159 -6.235 1.927 541 HB THR 66 HB THR 66 14.729 -8.191 1.412 542 HG1 THR 66 HG1 THR 66 16.530 -6.530 0.927 543 HG21 THR 66 1HG2 THR 66 13.691 -6.648 -1.001 544 HG22 THR 66 2HG2 THR 66 12.726 -7.718 0.021 545 HG23 THR 66 3HG2 THR 66 14.049 -8.373 -0.946 546 H ASP 67 H ASP 67 13.341 -6.459 4.050 547 HA ASP 67 HA ASP 67 15.953 -6.143 5.432 548 HB2 ASP 67 2HB ASP 67 14.662 -4.069 5.716 549 HB3 ASP 67 3HB ASP 67 13.232 -4.974 6.198 550 H GLY 68 H GLY 68 16.253 -8.338 5.651 551 HA2 GLY 68 2HA GLY 68 16.036 -10.475 6.463 552 HA3 GLY 68 3HA GLY 68 14.723 -9.912 7.495 553 H ASN 69 H ASN 69 12.895 -11.039 7.074 554 HA ASN 69 HA ASN 69 12.154 -11.754 4.296 555 HB2 ASN 69 2HB ASN 69 10.967 -12.593 6.982 556 HB3 ASN 69 3HB ASN 69 10.235 -13.003 5.439 557 HD21 ASN 69 1HD2 ASN 69 11.331 -14.457 4.044 558 HD22 ASN 69 2HD2 ASN 69 12.506 -15.560 4.664 559 H THR 70 H THR 70 11.737 -9.249 6.483 560 HA THR 70 HA THR 70 8.987 -8.567 5.696 561 HB THR 70 HB THR 70 10.842 -7.260 7.745 562 HG1 THR 70 HG1 THR 70 8.782 -8.652 8.813 563 HG21 THR 70 1HG2 THR 70 8.756 -6.323 8.693 564 HG22 THR 70 2HG2 THR 70 7.836 -7.027 7.367 565 HG23 THR 70 3HG2 THR 70 9.018 -5.765 7.030 566 H VAL 71 H VAL 71 8.849 -7.387 3.853 567 HA VAL 71 HA VAL 71 11.113 -5.825 2.869 568 HB VAL 71 HB VAL 71 8.423 -6.358 1.518 569 HG11 VAL 71 1HG1 VAL 71 11.026 -5.273 0.355 570 HG12 VAL 71 2HG1 VAL 71 9.547 -4.347 0.622 571 HG13 VAL 71 3HG1 VAL 71 9.565 -5.650 -0.567 572 HG21 VAL 71 1HG2 VAL 71 9.657 -8.464 1.902 573 HG22 VAL 71 2HG2 VAL 71 11.087 -7.779 1.126 574 HG23 VAL 71 3HG2 VAL 71 9.622 -8.064 0.181 575 H ASN 72 H ASN 72 11.302 -3.870 3.633 576 HA ASN 72 HA ASN 72 9.094 -2.156 4.460 577 HB2 ASN 72 2HB ASN 72 12.115 -1.682 4.379 578 HB3 ASN 72 3HB ASN 72 10.939 -0.563 5.057 579 HD21 ASN 72 1HD2 ASN 72 10.991 -4.133 5.515 580 HD22 ASN 72 2HD2 ASN 72 11.285 -4.047 7.208 581 H VAL 73 H VAL 73 7.985 -1.343 2.704 582 HA VAL 73 HA VAL 73 9.454 -0.421 0.321 583 HB VAL 73 HB VAL 73 6.432 -0.656 0.699 584 HG11 VAL 73 1HG1 VAL 73 6.344 -0.559 -1.783 585 HG12 VAL 73 2HG1 VAL 73 8.091 -0.304 -1.836 586 HG13 VAL 73 3HG1 VAL 73 7.042 0.913 -1.102 587 HG21 VAL 73 1HG2 VAL 73 7.492 -2.866 0.924 588 HG22 VAL 73 2HG2 VAL 73 8.353 -2.627 -0.599 589 HG23 VAL 73 3HG2 VAL 73 6.592 -2.762 -0.592 590 H THR 74 H THR 74 10.214 1.559 0.579 591 HA THR 74 HA THR 74 8.892 3.640 2.128 592 HB THR 74 HB THR 74 11.470 3.785 0.493 593 HG1 THR 74 HG1 THR 74 11.096 3.055 3.227 594 HG21 THR 74 1HG2 THR 74 10.515 5.451 2.855 595 HG22 THR 74 2HG2 THR 74 10.615 6.000 1.178 596 HG23 THR 74 3HG2 THR 74 12.086 5.591 2.065 597 H VAL 75 H VAL 75 7.212 4.573 1.081 598 HA VAL 75 HA VAL 75 7.354 5.191 -1.814 599 HB VAL 75 HB VAL 75 4.871 5.029 -0.037 600 HG11 VAL 75 1HG1 VAL 75 5.146 5.233 -3.063 601 HG12 VAL 75 2HG1 VAL 75 4.535 6.483 -1.968 602 HG13 VAL 75 3HG1 VAL 75 3.627 4.988 -2.191 603 HG21 VAL 75 1HG2 VAL 75 5.901 2.803 -0.203 604 HG22 VAL 75 2HG2 VAL 75 5.918 2.922 -1.966 605 HG23 VAL 75 3HG2 VAL 75 4.380 2.859 -1.098 606 H GLU 76 H GLU 76 7.676 7.304 -2.280 607 HA GLU 76 HA GLU 76 7.166 9.438 -0.373 608 HB2 GLU 76 2HB GLU 76 9.159 9.375 -1.970 609 HB3 GLU 76 3HB GLU 76 8.036 9.689 -3.287 610 HG2 GLU 76 2HG GLU 76 9.088 11.774 -2.629 611 HG3 GLU 76 3HG GLU 76 7.381 11.834 -2.175 612 H LEU 77 H LEU 77 5.143 10.212 -0.195 613 HA LEU 77 HA LEU 77 3.393 10.424 -2.576 614 HB2 LEU 77 2HB LEU 77 2.643 10.530 0.379 615 HB3 LEU 77 3HB LEU 77 1.540 10.901 -0.937 616 HG LEU 77 HG LEU 77 1.850 8.525 -1.769 617 HD11 LEU 77 1HD1 LEU 77 2.691 6.832 -0.193 618 HD12 LEU 77 2HD1 LEU 77 3.223 8.115 0.895 619 HD13 LEU 77 3HD1 LEU 77 3.953 7.952 -0.700 620 HD21 LEU 77 1HD2 LEU 77 -0.124 9.240 -0.495 621 HD22 LEU 77 2HD2 LEU 77 0.690 8.818 1.012 622 HD23 LEU 77 3HD2 LEU 77 0.296 7.563 -0.164 623 H GLU 78 H GLU 78 2.134 12.390 -2.704 624 HA GLU 78 HA GLU 78 3.248 14.773 -1.377 625 HB2 GLU 78 2HB GLU 78 4.209 14.359 -3.730 626 HB3 GLU 78 3HB GLU 78 2.589 14.638 -4.356 627 HG2 GLU 78 2HG GLU 78 2.627 16.908 -3.515 628 HG3 GLU 78 3HG GLU 78 4.199 16.638 -2.764 629 H GLU 79 H GLU 79 1.509 15.265 -0.172 630 HA GLU 79 HA GLU 79 -1.219 14.703 -1.065 631 HB2 GLU 79 2HB GLU 79 -0.208 15.547 1.697 632 HB3 GLU 79 3HB GLU 79 -1.827 14.959 1.311 633 HG2 GLU 79 2HG GLU 79 -0.795 12.764 0.625 634 HG3 GLU 79 3HG GLU 79 0.763 13.366 1.189 635 H THR 80 H THR 80 -1.983 16.339 -2.289 636 HA THR 80 HA THR 80 -1.793 19.133 -1.421 637 HB THR 80 HB THR 80 -3.151 17.978 -3.905 638 HG1 THR 80 HG1 THR 80 -0.573 19.133 -3.536 639 HG21 THR 80 1HG2 THR 80 -4.006 20.235 -3.264 640 HG22 THR 80 2HG2 THR 80 -3.077 20.295 -4.760 641 HG23 THR 80 3HG2 THR 80 -2.342 20.848 -3.256 642 H THR 81 H THR 81 -3.166 19.551 0.227 643 HA THR 81 HA THR 81 -6.039 18.935 -0.080 644 HB THR 81 HB THR 81 -5.177 17.303 1.557 645 HG1 THR 81 HG1 THR 81 -7.252 18.115 1.947 646 HG21 THR 81 1HG2 THR 81 -4.229 17.976 3.732 647 HG22 THR 81 2HG2 THR 81 -4.259 19.669 3.239 648 HG23 THR 81 3HG2 THR 81 -3.194 18.533 2.409 649 H GLY 82 H GLY 82 -7.350 20.648 0.276 650 HA2 GLY 82 2HA GLY 82 -8.097 22.764 0.744 651 HA3 GLY 82 3HA GLY 82 -6.839 22.876 1.964 652 H GLY 83 H GLY 83 -5.678 22.223 -1.205 653 HA2 GLY 83 2HA GLY 83 -5.063 23.769 -2.925 654 HA3 GLY 83 3HA GLY 83 -5.064 25.071 -1.750 655 H THR 84 H THR 84 -3.553 23.452 0.264 656 HA THR 84 HA THR 84 -0.895 24.141 -0.730 657 HB THR 84 HB THR 84 -1.582 24.789 1.598 658 HG1 THR 84 HG1 THR 84 0.477 24.708 2.026 659 HG21 THR 84 1HG2 THR 84 -2.847 22.769 2.278 660 HG22 THR 84 2HG2 THR 84 -1.542 23.109 3.415 661 HG23 THR 84 3HG2 THR 84 -1.367 21.812 2.230 662 H THR 85 H THR 85 0.889 22.719 -0.737 663 HA THR 85 HA THR 85 0.251 19.835 -1.051 664 HB THR 85 HB THR 85 2.278 21.522 -2.594 665 HG1 THR 85 HG1 THR 85 0.754 20.722 -4.349 666 HG21 THR 85 1HG2 THR 85 1.568 18.589 -2.928 667 HG22 THR 85 2HG2 THR 85 3.093 19.220 -2.296 668 HG23 THR 85 3HG2 THR 85 2.638 19.524 -3.972 669 H THR 86 H THR 86 1.498 18.436 0.096 670 HA THR 86 HA THR 86 4.034 19.272 1.358 671 HB THR 86 HB THR 86 1.653 17.989 2.795 672 HG1 THR 86 HG1 THR 86 2.204 20.483 2.460 673 HG21 THR 86 1HG2 THR 86 4.469 18.452 3.875 674 HG22 THR 86 2HG2 THR 86 3.698 16.885 3.612 675 HG23 THR 86 3HG2 THR 86 3.076 17.980 4.848 676 H ASN 87 H ASN 87 5.553 17.775 0.742 677 HA ASN 87 HA ASN 87 4.863 15.138 -0.216 678 HB2 ASN 87 2HB ASN 87 7.540 16.478 0.350 679 HB3 ASN 87 3HB ASN 87 7.424 14.805 -0.192 680 HD21 ASN 87 1HD2 ASN 87 6.681 14.378 -2.294 681 HD22 ASN 87 2HD2 ASN 87 6.659 15.601 -3.520 682 H THR 88 H THR 88 4.473 13.463 1.019 683 HA THR 88 HA THR 88 5.618 13.228 3.734 684 HB THR 88 HB THR 88 2.746 12.537 2.952 685 HG1 THR 88 HG1 THR 88 2.160 14.420 3.766 686 HG21 THR 88 1HG2 THR 88 2.412 12.265 5.394 687 HG22 THR 88 2HG2 THR 88 4.140 12.515 5.655 688 HG23 THR 88 3HG2 THR 88 3.570 11.102 4.756 689 H THR 89 H THR 89 6.698 11.370 3.930 690 HA THR 89 HA THR 89 6.491 9.279 1.908 691 HB THR 89 HB THR 89 8.323 9.313 4.355 692 HG1 THR 89 HG1 THR 89 8.451 10.758 1.946 693 HG21 THR 89 1HG2 THR 89 9.807 7.947 2.926 694 HG22 THR 89 2HG2 THR 89 8.621 8.007 1.621 695 HG23 THR 89 3HG2 THR 89 8.235 7.163 3.123 696 H TYR 90 H TYR 90 5.222 7.489 2.228 697 HA TYR 90 HA TYR 90 4.616 6.553 4.987 698 HB2 TYR 90 2HB TYR 90 3.245 5.981 2.309 699 HB3 TYR 90 3HB TYR 90 2.865 5.116 3.793 700 HD1 TYR 90 HD1 TYR 90 3.116 8.695 2.607 701 HD2 TYR 90 HD2 TYR 90 0.952 5.828 4.916 702 HE1 TYR 90 HE1 TYR 90 1.420 10.405 3.149 703 HE2 TYR 90 HE2 TYR 90 -0.742 7.521 5.452 704 HH TYR 90 HH TYR 90 -0.907 10.555 3.869 705 H GLU 91 H GLU 91 5.799 4.782 5.612 706 HA GLU 91 HA GLU 91 7.114 3.116 3.552 707 HB2 GLU 91 2HB GLU 91 8.509 4.280 5.408 708 HB3 GLU 91 3HB GLU 91 7.779 3.134 6.527 709 HG2 GLU 91 2HG GLU 91 8.669 1.422 4.575 710 HG3 GLU 91 3HG GLU 91 9.848 2.725 4.426 711 H LEU 92 H LEU 92 5.746 1.493 3.083 712 HA LEU 92 HA LEU 92 4.001 0.297 5.117 713 HB2 LEU 92 2HB LEU 92 4.161 -0.228 2.112 714 HB3 LEU 92 3HB LEU 92 2.977 -0.915 3.214 715 HG LEU 92 HG LEU 92 2.242 1.517 3.697 716 HD11 LEU 92 1HD1 LEU 92 3.753 2.086 1.136 717 HD12 LEU 92 2HD1 LEU 92 4.183 2.668 2.747 718 HD13 LEU 92 3HD1 LEU 92 2.682 3.195 2.000 719 HD21 LEU 92 1HD2 LEU 92 0.736 1.599 1.792 720 HD22 LEU 92 2HD2 LEU 92 0.889 -0.058 2.378 721 HD23 LEU 92 3HD2 LEU 92 1.738 0.442 0.914 722 H ARG 93 H ARG 93 5.006 -1.133 6.309 723 HA ARG 93 HA ARG 93 7.267 -2.700 5.314 724 HB2 ARG 93 2HB ARG 93 7.389 -1.303 7.418 725 HB3 ARG 93 3HB ARG 93 6.183 -2.354 8.152 726 HG2 ARG 93 2HG ARG 93 7.709 -4.231 8.105 727 HG3 ARG 93 3HG ARG 93 8.883 -3.318 7.154 728 HD2 ARG 93 2HD ARG 93 8.041 -2.721 10.016 729 HD3 ARG 93 3HD ARG 93 9.576 -3.440 9.509 730 HE ARG 93 HE ARG 93 9.385 -1.046 8.137 731 HH11 ARG 93 1HH1 ARG 93 9.515 -1.916 11.557 732 HH12 ARG 93 2HH1 ARG 93 10.247 -0.411 12.015 733 HH21 ARG 93 1HH2 ARG 93 10.322 0.893 8.763 734 HH22 ARG 93 2HH2 ARG 93 10.704 1.177 10.437 735 H PHE 94 H PHE 94 6.466 -4.402 4.204 736 HA PHE 94 HA PHE 94 4.129 -5.929 5.070 737 HB2 PHE 94 2HB PHE 94 5.927 -6.107 2.599 738 HB3 PHE 94 3HB PHE 94 4.558 -7.178 2.884 739 HD1 PHE 94 HD1 PHE 94 5.571 -3.757 1.966 740 HD2 PHE 94 HD2 PHE 94 2.252 -6.356 2.710 741 HE1 PHE 94 HE1 PHE 94 4.060 -2.140 0.913 742 HE2 PHE 94 HE2 PHE 94 0.750 -4.721 1.659 743 HZ PHE 94 HZ PHE 94 1.654 -2.615 0.757 744 H GLU 95 H GLU 95 4.551 -7.350 6.672 745 HA GLU 95 HA GLU 95 7.009 -8.937 6.720 746 HB2 GLU 95 2HB GLU 95 6.159 -7.959 8.837 747 HB3 GLU 95 3HB GLU 95 4.668 -8.886 8.675 748 HG2 GLU 95 2HG GLU 95 5.801 -10.970 9.037 749 HG3 GLU 95 3HG GLU 95 7.390 -10.227 8.836 750 H VAL 96 H VAL 96 7.075 -10.730 5.570 751 HA VAL 96 HA VAL 96 4.662 -11.956 4.501 752 HB VAL 96 HB VAL 96 6.046 -13.197 3.003 753 HG11 VAL 96 1HG1 VAL 96 7.370 -10.486 3.398 754 HG12 VAL 96 2HG1 VAL 96 5.930 -10.823 2.439 755 HG13 VAL 96 3HG1 VAL 96 7.481 -11.483 1.946 756 HG21 VAL 96 1HG2 VAL 96 8.498 -12.524 4.686 757 HG22 VAL 96 2HG2 VAL 96 8.508 -13.418 3.163 758 HG23 VAL 96 3HG2 VAL 96 7.713 -14.102 4.580 759 H ASP 97 H ASP 97 4.134 -14.131 4.790 760 HA ASP 97 HA ASP 97 5.322 -15.640 7.009 761 HB2 ASP 97 2HB ASP 97 3.532 -14.212 8.001 762 HB3 ASP 97 3HB ASP 97 2.374 -14.844 6.840 763 H GLY 98 H GLY 98 5.979 -17.268 5.700 764 HA2 GLY 98 2HA GLY 98 5.856 -19.191 4.443 765 HA3 GLY 98 3HA GLY 98 4.101 -19.045 4.410 766 H ASP 99 H ASP 99 3.363 -18.825 2.375 767 HA ASP 99 HA ASP 99 5.078 -17.844 0.209 768 HB2 ASP 99 2HB ASP 99 3.841 -19.954 -0.088 769 HB3 ASP 99 3HB ASP 99 2.312 -19.145 0.223 770 H THR 100 H THR 100 2.528 -16.650 2.203 771 HA THR 100 HA THR 100 1.927 -14.415 0.340 772 HB THR 100 HB THR 100 -0.006 -15.926 0.464 773 HG1 THR 100 HG1 THR 100 -0.591 -13.800 0.281 774 HG21 THR 100 1HG2 THR 100 -0.006 -15.437 3.467 775 HG22 THR 100 2HG2 THR 100 0.412 -16.958 2.675 776 HG23 THR 100 3HG2 THR 100 -1.232 -16.331 2.558 777 H ILE 101 H ILE 101 1.335 -12.418 1.350 778 HA ILE 101 HA ILE 101 2.780 -11.862 3.831 779 HB ILE 101 HB ILE 101 1.365 -9.859 2.000 780 HG12 ILE 101 2HG1 ILE 101 4.288 -10.741 1.902 781 HG13 ILE 101 3HG1 ILE 101 3.068 -11.127 0.699 782 HG21 ILE 101 1HG2 ILE 101 1.860 -9.007 4.266 783 HG22 ILE 101 2HG2 ILE 101 2.859 -8.194 3.062 784 HG23 ILE 101 3HG2 ILE 101 3.560 -9.455 4.079 785 HD11 ILE 101 1HD1 ILE 101 4.094 -8.355 1.332 786 HD12 ILE 101 2HD1 ILE 101 2.894 -8.768 0.105 787 HD13 ILE 101 3HD1 ILE 101 4.548 -9.353 -0.049 788 H ARG 102 H ARG 102 1.680 -12.027 5.679 789 HA ARG 102 HA ARG 102 -1.250 -11.894 5.806 790 HB2 ARG 102 2HB ARG 102 0.859 -12.578 7.904 791 HB3 ARG 102 3HB ARG 102 -0.869 -12.556 8.234 792 HG2 ARG 102 2HG ARG 102 0.468 -14.374 6.204 793 HG3 ARG 102 3HG ARG 102 0.070 -14.834 7.859 794 HD2 ARG 102 2HD ARG 102 -2.338 -14.391 7.354 795 HD3 ARG 102 3HD ARG 102 -1.884 -14.047 5.680 796 HE ARG 102 HE ARG 102 -1.179 -16.653 6.835 797 HH11 ARG 102 1HH1 ARG 102 -3.202 -14.854 4.580 798 HH12 ARG 102 2HH1 ARG 102 -3.727 -16.279 3.737 799 HH21 ARG 102 1HH2 ARG 102 -1.889 -18.491 5.743 800 HH22 ARG 102 2HH2 ARG 102 -2.981 -18.344 4.404 801 H ARG 103 H ARG 103 1.498 -9.863 6.481 802 HA ARG 103 HA ARG 103 -0.075 -8.104 8.291 803 HB2 ARG 103 2HB ARG 103 2.839 -8.941 8.733 804 HB3 ARG 103 3HB ARG 103 1.843 -7.977 9.825 805 HG2 ARG 103 2HG ARG 103 0.488 -9.877 10.412 806 HG3 ARG 103 3HG ARG 103 1.160 -10.847 9.105 807 HD2 ARG 103 2HD ARG 103 3.435 -10.513 10.375 808 HD3 ARG 103 3HD ARG 103 2.399 -10.114 11.749 809 HE ARG 103 HE ARG 103 1.334 -12.334 11.410 810 HH11 ARG 103 1HH1 ARG 103 4.633 -11.852 10.281 811 HH12 ARG 103 2HH1 ARG 103 5.034 -13.537 10.353 812 HH21 ARG 103 1HH2 ARG 103 1.868 -14.542 11.478 813 HH22 ARG 103 2HH2 ARG 103 3.461 -15.067 11.030 814 H VAL 104 H VAL 104 0.132 -5.982 7.865 815 HA VAL 104 HA VAL 104 2.563 -4.903 6.582 816 HB VAL 104 HB VAL 104 0.857 -5.064 4.776 817 HG11 VAL 104 1HG1 VAL 104 -0.909 -3.264 6.471 818 HG12 VAL 104 2HG1 VAL 104 -1.204 -4.966 6.109 819 HG13 VAL 104 3HG1 VAL 104 -1.232 -3.773 4.810 820 HG21 VAL 104 1HG2 VAL 104 2.462 -3.184 4.702 821 HG22 VAL 104 2HG2 VAL 104 1.342 -2.173 5.620 822 HG23 VAL 104 3HG2 VAL 104 0.914 -2.719 3.995 823 H THR 105 H THR 105 3.208 -2.939 7.462 824 HA THR 105 HA THR 105 1.366 -1.517 9.303 825 HB THR 105 HB THR 105 4.384 -1.819 9.693 826 HG1 THR 105 HG1 THR 105 2.235 -3.349 10.529 827 HG21 THR 105 1HG2 THR 105 3.518 0.312 10.620 828 HG22 THR 105 2HG2 THR 105 3.976 -0.792 11.914 829 HG23 THR 105 3HG2 THR 105 2.272 -0.583 11.516 830 H VAL 106 H VAL 106 0.783 0.193 8.114 831 HA VAL 106 HA VAL 106 2.582 1.485 6.208 832 HB VAL 106 HB VAL 106 -0.280 2.274 6.988 833 HG11 VAL 106 1HG1 VAL 106 -0.321 3.465 4.813 834 HG12 VAL 106 2HG1 VAL 106 1.363 3.018 4.534 835 HG13 VAL 106 3HG1 VAL 106 0.948 4.095 5.869 836 HG21 VAL 106 1HG2 VAL 106 -0.271 -0.040 6.137 837 HG22 VAL 106 2HG2 VAL 106 0.606 0.475 4.695 838 HG23 VAL 106 3HG2 VAL 106 -1.041 1.045 4.975 839 H THR 107 H THR 107 4.083 2.779 7.159 840 HA THR 107 HA THR 107 3.412 4.271 9.624 841 HB THR 107 HB THR 107 6.187 3.663 8.500 842 HG1 THR 107 HG1 THR 107 5.013 1.716 8.969 843 HG21 THR 107 1HG2 THR 107 6.908 4.049 10.854 844 HG22 THR 107 2HG2 THR 107 5.250 4.462 11.293 845 HG23 THR 107 3HG2 THR 107 6.143 5.489 10.168 846 H GLN 108 H GLN 108 2.644 6.246 8.970 847 HA GLN 108 HA GLN 108 3.681 7.782 6.777 848 HB2 GLN 108 2HB GLN 108 1.336 7.989 7.636 849 HB3 GLN 108 3HB GLN 108 1.955 8.676 9.136 850 HG2 GLN 108 2HG GLN 108 2.920 10.569 7.804 851 HG3 GLN 108 3HG GLN 108 2.173 9.886 6.360 852 HE21 GLN 108 1HE2 GLN 108 0.854 11.681 5.984 853 HE22 GLN 108 2HE2 GLN 108 -0.465 12.099 7.009 854 H ASN 109 H ASN 109 5.804 8.232 6.964 855 HA ASN 109 HA ASN 109 7.318 8.555 9.292 856 HB2 ASN 109 2HB ASN 109 7.948 9.381 6.424 857 HB3 ASN 109 3HB ASN 109 9.130 9.360 7.735 858 HD21 ASN 109 1HD2 ASN 109 7.180 7.359 5.614 859 HD22 ASN 109 2HD2 ASN 109 7.995 5.888 5.949 860 H GLY 110 H GLY 110 7.978 10.228 10.447 861 HA2 GLY 110 2HA GLY 110 8.052 12.930 10.120 862 HA3 GLY 110 3HA GLY 110 6.359 12.604 10.512 863 H GLY 111 H GLY 111 6.277 13.397 12.618 864 HA2 GLY 111 2HA GLY 111 6.284 13.026 14.912 865 HA3 GLY 111 3HA GLY 111 7.443 11.724 14.702 866 H SER 112 H SER 112 9.647 12.625 13.806 867 HA SER 112 HA SER 112 10.440 15.156 15.094 868 HB2 SER 112 2HB SER 112 11.001 13.309 16.668 869 HB3 SER 112 3HB SER 112 11.914 12.492 15.400 870 HG SER 112 HG SER 112 13.349 13.631 16.635 871 H LEU 113 H LEU 113 12.018 16.256 14.031 872 HA LEU 113 HA LEU 113 12.828 15.387 11.349 873 HB2 LEU 113 2HB LEU 113 13.251 18.032 12.804 874 HB3 LEU 113 3HB LEU 113 13.682 17.721 11.127 875 HG LEU 113 HG LEU 113 10.849 17.731 12.250 876 HD11 LEU 113 1HD1 LEU 113 10.530 19.788 10.947 877 HD12 LEU 113 2HD1 LEU 113 12.233 19.775 10.483 878 HD13 LEU 113 3HD1 LEU 113 11.776 19.985 12.177 879 HD21 LEU 113 1HD2 LEU 113 11.024 16.140 10.405 880 HD22 LEU 113 2HD2 LEU 113 11.778 17.363 9.380 881 HD23 LEU 113 3HD2 LEU 113 10.103 17.556 9.903 882 H GLU 114 H GLU 114 14.041 15.241 14.499 883 HA GLU 114 HA GLU 114 16.869 15.104 13.607 884 HB2 GLU 114 2HB GLU 114 15.901 16.746 15.564 885 HB3 GLU 114 3HB GLU 114 16.168 15.314 16.545 886 HG2 GLU 114 2HG GLU 114 18.272 16.745 14.879 887 HG3 GLU 114 3HG GLU 114 18.062 16.908 16.619 888 H HIS 115 H HIS 115 18.036 13.272 14.179 889 HA HIS 115 HA HIS 115 16.505 10.896 15.101 890 HB2 HIS 115 2HB HIS 115 18.961 11.067 13.275 891 HB3 HIS 115 3HB HIS 115 18.220 9.565 13.823 892 HD1 HIS 115 HD1 HIS 115 16.423 8.643 12.379 893 HD2 HIS 115 HD2 HIS 115 17.132 12.651 11.576 894 HE1 HIS 115 HE1 HIS 115 14.997 9.193 10.396 895 HE2 HIS 115 HE2 HIS 115 15.369 11.647 9.993 896 H HIS 116 H HIS 116 17.069 10.187 17.083 897 HA HIS 116 HA HIS 116 19.090 11.455 18.619 898 HB2 HIS 116 2HB HIS 116 18.484 9.867 20.443 899 HB3 HIS 116 3HB HIS 116 17.087 10.666 19.741 900 HD1 HIS 116 HD1 HIS 116 18.726 7.305 20.064 901 HD2 HIS 116 HD2 HIS 116 15.235 8.932 18.512 902 HE1 HIS 116 HE1 HIS 116 17.224 5.355 19.600 903 HE2 HIS 116 HE2 HIS 116 15.186 6.363 18.524 904 H HIS 117 H HIS 117 21.015 11.202 17.569 905 HA HIS 117 HA HIS 117 22.302 8.710 17.034 906 HB2 HIS 117 2HB HIS 117 23.424 11.529 17.376 907 HB3 HIS 117 3HB HIS 117 24.384 10.144 16.862 908 HD1 HIS 117 HD1 HIS 117 21.977 12.670 15.613 909 HD2 HIS 117 HD2 HIS 117 23.757 9.171 14.242 910 HE1 HIS 117 HE1 HIS 117 21.604 12.653 13.135 911 HE2 HIS 117 HE2 HIS 117 22.536 10.445 12.364 912 H HIS 118 H HIS 118 23.029 7.333 18.514 913 HA HIS 118 HA HIS 118 23.173 8.021 21.325 914 HB2 HIS 118 2HB HIS 118 22.168 5.865 20.527 915 HB3 HIS 118 3HB HIS 118 23.738 5.364 19.912 916 HD1 HIS 118 HD1 HIS 118 21.721 5.642 23.025 917 HD2 HIS 118 HD2 HIS 118 25.590 4.565 21.948 918 HE1 HIS 118 HE1 HIS 118 22.699 4.521 25.042 919 HE2 HIS 118 HE2 HIS 118 25.093 4.066 24.419 920 H HIS 119 H HIS 119 24.967 8.592 22.372 921 HA HIS 119 HA HIS 119 27.507 8.998 21.260 922 HB2 HIS 119 2HB HIS 119 26.755 10.214 23.258 923 HB3 HIS 119 3HB HIS 119 26.657 8.722 24.182 924 HD1 HIS 119 HD1 HIS 119 29.086 11.291 22.960 925 HD2 HIS 119 HD2 HIS 119 29.167 7.753 25.141 926 HE1 HIS 119 HE1 HIS 119 31.356 11.203 24.029 927 HE2 HIS 119 HE2 HIS 119 31.423 8.985 25.213 928 H HIS 120 H HIS 120 28.677 7.394 20.428 929 HA HIS 120 HA HIS 120 28.810 4.718 21.583 930 HB2 HIS 120 2HB HIS 120 30.135 5.921 19.101 931 HB3 HIS 120 3HB HIS 120 30.253 4.228 19.574 932 HD1 HIS 120 HD1 HIS 120 28.727 5.843 17.026 933 HD2 HIS 120 HD2 HIS 120 27.129 3.509 20.071 934 HE1 HIS 120 HE1 HIS 120 26.503 5.040 16.169 935 HE2 HIS 120 HE2 HIS 120 25.515 3.730 18.077 Start of MODEL 15 1 H1 MET 1 1H MET 1 3.164 -17.023 -2.597 2 H2 MET 1 2H MET 1 2.004 -15.797 -2.478 3 H3 MET 1 3H MET 1 3.495 -15.638 -1.692 4 HA MET 1 HA MET 1 3.168 -15.818 -4.620 5 HB2 MET 1 2HB MET 1 2.240 -13.701 -3.387 6 HB3 MET 1 3HB MET 1 3.919 -13.314 -3.052 7 HG2 MET 1 2HG MET 1 2.648 -13.565 -5.793 8 HG3 MET 1 3HG MET 1 3.112 -12.073 -4.976 9 HE1 MET 1 1HE MET 1 4.562 -11.110 -6.914 10 HE2 MET 1 2HE MET 1 4.048 -12.461 -7.930 11 HE3 MET 1 3HE MET 1 5.758 -12.049 -7.806 12 H GLN 2 H GLN 2 5.061 -16.317 -5.581 13 HA GLN 2 HA GLN 2 7.220 -17.346 -4.137 14 HB2 GLN 2 2HB GLN 2 7.131 -16.556 -7.084 15 HB3 GLN 2 3HB GLN 2 8.374 -17.566 -6.353 16 HG2 GLN 2 2HG GLN 2 6.655 -19.273 -5.809 17 HG3 GLN 2 3HG GLN 2 5.428 -18.263 -6.581 18 HE21 GLN 2 1HE2 GLN 2 4.950 -19.888 -8.086 19 HE22 GLN 2 2HE2 GLN 2 6.000 -20.263 -9.408 20 H ASP 3 H ASP 3 7.022 -14.312 -5.983 21 HA ASP 3 HA ASP 3 9.678 -13.468 -5.013 22 HB2 ASP 3 2HB ASP 3 9.177 -13.396 -7.477 23 HB3 ASP 3 3HB ASP 3 7.906 -12.217 -7.160 24 H ILE 4 H ILE 4 9.529 -12.512 -3.090 25 HA ILE 4 HA ILE 4 7.163 -11.223 -2.099 26 HB ILE 4 HB ILE 4 9.949 -11.536 -0.884 27 HG12 ILE 4 2HG1 ILE 4 8.775 -13.673 -1.159 28 HG13 ILE 4 3HG1 ILE 4 8.843 -13.267 0.549 29 HG21 ILE 4 1HG2 ILE 4 8.979 -10.872 1.293 30 HG22 ILE 4 2HG2 ILE 4 7.453 -10.480 0.497 31 HG23 ILE 4 3HG2 ILE 4 8.906 -9.553 0.123 32 HD11 ILE 4 1HD1 ILE 4 6.695 -14.225 -0.034 33 HD12 ILE 4 2HD1 ILE 4 6.427 -12.985 -1.254 34 HD13 ILE 4 3HD1 ILE 4 6.480 -12.543 0.456 35 H VAL 5 H VAL 5 10.187 -10.097 -3.492 36 HA VAL 5 HA VAL 5 10.293 -7.473 -2.486 37 HB VAL 5 HB VAL 5 11.342 -8.497 -5.174 38 HG11 VAL 5 1HG1 VAL 5 12.151 -6.023 -3.592 39 HG12 VAL 5 2HG1 VAL 5 11.280 -6.034 -5.127 40 HG13 VAL 5 3HG1 VAL 5 12.946 -6.607 -5.057 41 HG21 VAL 5 1HG2 VAL 5 12.758 -8.293 -2.490 42 HG22 VAL 5 2HG2 VAL 5 13.491 -8.823 -4.006 43 HG23 VAL 5 3HG2 VAL 5 12.218 -9.786 -3.256 44 H GLU 6 H GLU 6 9.103 -8.564 -5.709 45 HA GLU 6 HA GLU 6 7.899 -5.993 -6.261 46 HB2 GLU 6 2HB GLU 6 8.988 -7.481 -8.023 47 HB3 GLU 6 3HB GLU 6 7.575 -8.523 -7.917 48 HG2 GLU 6 2HG GLU 6 6.133 -6.632 -8.623 49 HG3 GLU 6 3HG GLU 6 7.553 -5.591 -8.709 50 H ALA 7 H ALA 7 6.801 -9.000 -4.846 51 HA ALA 7 HA ALA 7 4.005 -8.671 -5.088 52 HB1 ALA 7 1HB ALA 7 5.006 -10.714 -4.133 53 HB2 ALA 7 2HB ALA 7 3.812 -10.021 -3.034 54 HB3 ALA 7 3HB ALA 7 5.538 -9.806 -2.715 55 H ALA 8 H ALA 8 6.317 -7.445 -2.710 56 HA ALA 8 HA ALA 8 4.486 -5.966 -1.113 57 HB1 ALA 8 1HB ALA 8 6.525 -5.032 -0.102 58 HB2 ALA 8 2HB ALA 8 7.499 -5.727 -1.404 59 HB3 ALA 8 3HB ALA 8 6.637 -6.782 -0.280 60 H LYS 9 H LYS 9 6.611 -5.123 -3.816 61 HA LYS 9 HA LYS 9 6.391 -2.318 -3.738 62 HB2 LYS 9 2HB LYS 9 8.133 -3.531 -5.012 63 HB3 LYS 9 3HB LYS 9 6.910 -4.161 -6.112 64 HG2 LYS 9 2HG LYS 9 6.410 -1.807 -6.827 65 HG3 LYS 9 3HG LYS 9 7.732 -1.254 -5.792 66 HD2 LYS 9 2HD LYS 9 9.330 -2.624 -7.128 67 HD3 LYS 9 3HD LYS 9 8.001 -3.138 -8.172 68 HE2 LYS 9 2HE LYS 9 7.636 -0.741 -8.805 69 HE3 LYS 9 3HE LYS 9 9.044 -0.304 -7.834 70 HZ1 LYS 9 1HZ LYS 9 10.424 -1.676 -9.265 71 HZ2 LYS 9 2HZ LYS 9 9.602 -0.521 -10.180 72 HZ3 LYS 9 3HZ LYS 9 9.082 -2.129 -10.186 73 H GLN 10 H GLN 10 4.666 -4.697 -5.770 74 HA GLN 10 HA GLN 10 2.857 -2.865 -6.977 75 HB2 GLN 10 2HB GLN 10 2.695 -5.896 -6.671 76 HB3 GLN 10 3HB GLN 10 1.606 -4.944 -7.675 77 HG2 GLN 10 2HG GLN 10 4.600 -5.221 -8.068 78 HG3 GLN 10 3HG GLN 10 3.344 -6.019 -9.015 79 HE21 GLN 10 1HE2 GLN 10 2.132 -4.793 -10.484 80 HE22 GLN 10 2HE2 GLN 10 2.614 -3.222 -11.011 81 H ALA 11 H ALA 11 2.767 -4.776 -4.029 82 HA ALA 11 HA ALA 11 0.055 -4.550 -3.352 83 HB1 ALA 11 1HB ALA 11 0.782 -5.003 -1.039 84 HB2 ALA 11 2HB ALA 11 2.460 -4.707 -1.505 85 HB3 ALA 11 3HB ALA 11 1.580 -6.075 -2.189 86 H ALA 12 H ALA 12 2.845 -2.525 -2.438 87 HA ALA 12 HA ALA 12 1.534 -0.630 -0.878 88 HB1 ALA 12 1HB ALA 12 3.993 -0.229 -2.616 89 HB2 ALA 12 2HB ALA 12 3.979 -0.845 -0.963 90 HB3 ALA 12 3HB ALA 12 3.483 0.816 -1.278 91 H ILE 13 H ILE 13 2.368 -0.466 -4.342 92 HA ILE 13 HA ILE 13 1.288 2.044 -4.963 93 HB ILE 13 HB ILE 13 1.661 -0.395 -6.778 94 HG12 ILE 13 2HG1 ILE 13 3.498 2.011 -6.324 95 HG13 ILE 13 3HG1 ILE 13 3.755 0.404 -5.665 96 HG21 ILE 13 1HG2 ILE 13 0.101 1.188 -7.831 97 HG22 ILE 13 2HG2 ILE 13 1.641 1.175 -8.691 98 HG23 ILE 13 3HG2 ILE 13 1.253 2.505 -7.597 99 HD11 ILE 13 1HD1 ILE 13 5.190 0.794 -7.560 100 HD12 ILE 13 2HD1 ILE 13 3.804 1.150 -8.588 101 HD13 ILE 13 3HD1 ILE 13 4.030 -0.478 -7.939 102 H ALA 14 H ALA 14 -0.230 -1.199 -5.034 103 HA ALA 14 HA ALA 14 -2.692 -0.398 -6.245 104 HB1 ALA 14 1HB ALA 14 -1.888 -2.706 -6.342 105 HB2 ALA 14 2HB ALA 14 -3.503 -2.628 -5.633 106 HB3 ALA 14 3HB ALA 14 -2.089 -2.867 -4.599 107 H ILE 15 H ILE 15 -1.615 -0.700 -2.900 108 HA ILE 15 HA ILE 15 -4.060 -0.327 -1.540 109 HB ILE 15 HB ILE 15 -1.158 0.226 -0.773 110 HG12 ILE 15 2HG1 ILE 15 -3.172 -1.831 0.253 111 HG13 ILE 15 3HG1 ILE 15 -1.919 -2.150 -0.936 112 HG21 ILE 15 1HG2 ILE 15 -1.844 0.656 1.569 113 HG22 ILE 15 2HG2 ILE 15 -3.534 0.667 1.063 114 HG23 ILE 15 3HG2 ILE 15 -2.430 1.907 0.469 115 HD11 ILE 15 1HD1 ILE 15 -1.481 -1.424 1.961 116 HD12 ILE 15 2HD1 ILE 15 -0.207 -1.700 0.768 117 HD13 ILE 15 3HD1 ILE 15 -1.292 -3.014 1.221 118 H PHE 16 H PHE 16 -1.695 1.998 -2.863 119 HA PHE 16 HA PHE 16 -3.166 4.326 -1.956 120 HB2 PHE 16 2HB PHE 16 -0.806 4.109 -3.873 121 HB3 PHE 16 3HB PHE 16 -1.482 5.627 -3.277 122 HD1 PHE 16 HD1 PHE 16 -1.727 5.744 -0.600 123 HD2 PHE 16 HD2 PHE 16 1.034 3.258 -2.707 124 HE1 PHE 16 HE1 PHE 16 -0.308 5.602 1.411 125 HE2 PHE 16 HE2 PHE 16 2.429 3.115 -0.703 126 HZ PHE 16 HZ PHE 16 1.770 4.289 1.360 127 H GLN 17 H GLN 17 -3.108 2.393 -4.874 128 HA GLN 17 HA GLN 17 -4.550 4.167 -6.585 129 HB2 GLN 17 2HB GLN 17 -4.233 1.137 -6.627 130 HB3 GLN 17 3HB GLN 17 -5.172 2.001 -7.838 131 HG2 GLN 17 2HG GLN 17 -3.179 3.243 -8.534 132 HG3 GLN 17 3HG GLN 17 -2.218 2.420 -7.305 133 HE21 GLN 17 1HE2 GLN 17 -1.631 0.241 -7.656 134 HE22 GLN 17 2HE2 GLN 17 -1.803 -0.529 -9.192 135 H LEU 18 H LEU 18 -5.504 1.737 -4.199 136 HA LEU 18 HA LEU 18 -8.333 2.105 -4.533 137 HB2 LEU 18 2HB LEU 18 -6.735 0.920 -2.231 138 HB3 LEU 18 3HB LEU 18 -8.492 0.955 -2.280 139 HG LEU 18 HG LEU 18 -6.682 -0.557 -4.205 140 HD11 LEU 18 1HD1 LEU 18 -8.569 -1.585 -2.065 141 HD12 LEU 18 2HD1 LEU 18 -6.804 -1.577 -1.986 142 HD13 LEU 18 3HD1 LEU 18 -7.623 -2.567 -3.188 143 HD21 LEU 18 1HD2 LEU 18 -8.671 0.244 -5.398 144 HD22 LEU 18 2HD2 LEU 18 -9.724 -0.441 -4.156 145 HD23 LEU 18 3HD2 LEU 18 -8.742 -1.502 -5.171 146 H TRP 19 H TRP 19 -5.885 3.397 -2.267 147 HA TRP 19 HA TRP 19 -7.655 4.860 -0.638 148 HB2 TRP 19 2HB TRP 19 -4.671 5.014 -1.068 149 HB3 TRP 19 3HB TRP 19 -5.479 6.201 -0.055 150 HD1 TRP 19 HD1 TRP 19 -7.183 2.977 0.547 151 HE1 TRP 19 HE1 TRP 19 -6.282 1.874 2.685 152 HE3 TRP 19 HE3 TRP 19 -3.008 5.846 1.284 153 HZ2 TRP 19 HZ2 TRP 19 -4.108 2.154 4.445 154 HZ3 TRP 19 HZ3 TRP 19 -1.575 5.363 3.227 155 HH2 TRP 19 HH2 TRP 19 -2.114 3.556 4.778 156 H LYS 20 H LYS 20 -6.501 5.622 -3.814 157 HA LYS 20 HA LYS 20 -7.644 8.346 -3.635 158 HB2 LYS 20 2HB LYS 20 -6.598 8.823 -5.768 159 HB3 LYS 20 3HB LYS 20 -5.395 8.113 -4.699 160 HG2 LYS 20 2HG LYS 20 -5.573 5.965 -5.861 161 HG3 LYS 20 3HG LYS 20 -6.874 6.597 -6.872 162 HD2 LYS 20 2HD LYS 20 -4.799 6.599 -8.142 163 HD3 LYS 20 3HD LYS 20 -5.297 8.263 -7.839 164 HE2 LYS 20 2HE LYS 20 -3.639 8.438 -6.030 165 HE3 LYS 20 3HE LYS 20 -3.162 6.754 -6.292 166 HZ1 LYS 20 1HZ LYS 20 -1.651 8.320 -7.399 167 HZ2 LYS 20 2HZ LYS 20 -2.930 8.925 -8.323 168 HZ3 LYS 20 3HZ LYS 20 -2.430 7.330 -8.519 169 H ASN 21 H ASN 21 -8.330 5.154 -4.902 170 HA ASN 21 HA ASN 21 -11.010 5.903 -5.703 171 HB2 ASN 21 2HB ASN 21 -9.754 6.468 -7.768 172 HB3 ASN 21 3HB ASN 21 -9.074 4.847 -7.828 173 HD21 ASN 21 1HD2 ASN 21 -10.412 3.145 -8.495 174 HD22 ASN 21 2HD2 ASN 21 -11.923 3.393 -9.283 175 HA PRO 22 HA PRO 22 -10.566 1.739 -3.670 176 HB2 PRO 22 2HB PRO 22 -13.039 1.788 -2.406 177 HB3 PRO 22 3HB PRO 22 -11.589 2.568 -1.755 178 HG2 PRO 22 2HG PRO 22 -13.844 3.800 -3.298 179 HG3 PRO 22 3HG PRO 22 -13.018 4.397 -1.840 180 HD2 PRO 22 2HD PRO 22 -12.425 5.369 -4.292 181 HD3 PRO 22 3HD PRO 22 -11.179 5.192 -3.037 182 H THR 23 H THR 23 -12.854 2.955 -5.919 183 HA THR 23 HA THR 23 -14.463 0.581 -6.194 184 HB THR 23 HB THR 23 -15.472 1.902 -8.131 185 HG1 THR 23 HG1 THR 23 -13.850 3.262 -8.744 186 HG21 THR 23 1HG2 THR 23 -15.350 3.346 -5.450 187 HG22 THR 23 2HG2 THR 23 -16.458 2.034 -5.857 188 HG23 THR 23 3HG2 THR 23 -16.582 3.583 -6.693 189 H ASP 24 H ASP 24 -11.365 1.294 -7.278 190 HA ASP 24 HA ASP 24 -11.451 0.191 -9.925 191 HB2 ASP 24 2HB ASP 24 -9.586 1.700 -9.047 192 HB3 ASP 24 3HB ASP 24 -8.992 0.333 -8.109 193 HA PRO 25 HA PRO 25 -11.911 -4.022 -8.365 194 HB2 PRO 25 2HB PRO 25 -12.126 -5.345 -10.746 195 HB3 PRO 25 3HB PRO 25 -13.417 -4.294 -10.130 196 HG2 PRO 25 2HG PRO 25 -11.325 -3.684 -12.193 197 HG3 PRO 25 3HG PRO 25 -13.066 -3.318 -12.212 198 HD2 PRO 25 2HD PRO 25 -11.175 -1.460 -11.514 199 HD3 PRO 25 3HD PRO 25 -12.830 -1.443 -10.866 200 H GLU 26 H GLU 26 -9.339 -3.093 -10.603 201 HA GLU 26 HA GLU 26 -8.043 -5.703 -10.536 202 HB2 GLU 26 2HB GLU 26 -7.189 -3.145 -11.960 203 HB3 GLU 26 3HB GLU 26 -6.468 -4.741 -12.170 204 HG2 GLU 26 2HG GLU 26 -8.692 -5.576 -12.990 205 HG3 GLU 26 3HG GLU 26 -9.291 -3.923 -12.886 206 H ALA 27 H ALA 27 -7.651 -2.601 -9.001 207 HA ALA 27 HA ALA 27 -4.949 -2.894 -8.115 208 HB1 ALA 27 1HB ALA 27 -5.460 -0.972 -6.638 209 HB2 ALA 27 2HB ALA 27 -7.178 -1.136 -7.018 210 HB3 ALA 27 3HB ALA 27 -6.038 -0.683 -8.284 211 H GLN 28 H GLN 28 -8.131 -3.318 -6.534 212 HA GLN 28 HA GLN 28 -7.101 -4.556 -4.179 213 HB2 GLN 28 2HB GLN 28 -9.488 -5.185 -3.727 214 HB3 GLN 28 3HB GLN 28 -9.241 -3.474 -4.056 215 HG2 GLN 28 2HG GLN 28 -10.051 -3.820 -6.372 216 HG3 GLN 28 3HG GLN 28 -10.356 -5.514 -5.999 217 HE21 GLN 28 1HE2 GLN 28 -11.420 -2.216 -5.463 218 HE22 GLN 28 2HE2 GLN 28 -12.961 -2.630 -4.801 219 H GLU 29 H GLU 29 -7.980 -5.795 -7.336 220 HA GLU 29 HA GLU 29 -8.390 -8.515 -6.837 221 HB2 GLU 29 2HB GLU 29 -8.856 -7.546 -9.028 222 HB3 GLU 29 3HB GLU 29 -7.151 -7.179 -9.279 223 HG2 GLU 29 2HG GLU 29 -6.661 -9.626 -9.267 224 HG3 GLU 29 3HG GLU 29 -8.385 -9.948 -9.092 225 H LEU 30 H LEU 30 -5.346 -6.885 -7.772 226 HA LEU 30 HA LEU 30 -3.774 -9.228 -7.690 227 HB2 LEU 30 2HB LEU 30 -1.852 -7.796 -8.002 228 HB3 LEU 30 3HB LEU 30 -3.170 -7.278 -9.022 229 HG LEU 30 HG LEU 30 -3.547 -5.495 -7.013 230 HD11 LEU 30 1HD1 LEU 30 -0.572 -6.063 -6.838 231 HD12 LEU 30 2HD1 LEU 30 -1.768 -6.307 -5.562 232 HD13 LEU 30 3HD1 LEU 30 -1.400 -4.680 -6.121 233 HD21 LEU 30 1HD2 LEU 30 -1.451 -5.130 -9.185 234 HD22 LEU 30 2HD2 LEU 30 -2.233 -3.836 -8.272 235 HD23 LEU 30 3HD2 LEU 30 -3.189 -4.852 -9.348 236 H LEU 31 H LEU 31 -4.700 -6.963 -5.218 237 HA LEU 31 HA LEU 31 -2.827 -7.651 -3.204 238 HB2 LEU 31 2HB LEU 31 -5.611 -6.451 -2.950 239 HB3 LEU 31 3HB LEU 31 -4.483 -6.598 -1.611 240 HG LEU 31 HG LEU 31 -4.031 -4.912 -4.109 241 HD11 LEU 31 1HD1 LEU 31 -4.271 -2.970 -2.630 242 HD12 LEU 31 2HD1 LEU 31 -4.674 -4.033 -1.277 243 HD13 LEU 31 3HD1 LEU 31 -5.748 -3.931 -2.675 244 HD21 LEU 31 1HD2 LEU 31 -1.920 -5.773 -3.229 245 HD22 LEU 31 2HD2 LEU 31 -2.322 -5.169 -1.619 246 HD23 LEU 31 3HD2 LEU 31 -2.057 -4.038 -2.949 247 H ASN 32 H ASN 32 -5.873 -9.155 -4.180 248 HA ASN 32 HA ASN 32 -6.208 -10.934 -1.969 249 HB2 ASN 32 2HB ASN 32 -7.033 -11.306 -4.892 250 HB3 ASN 32 3HB ASN 32 -7.507 -12.388 -3.591 251 HD21 ASN 32 1HD2 ASN 32 -8.029 -9.308 -5.060 252 HD22 ASN 32 2HD2 ASN 32 -9.445 -8.897 -4.166 253 H LYS 33 H LYS 33 -4.264 -11.024 -4.851 254 HA LYS 33 HA LYS 33 -3.706 -13.847 -4.870 255 HB2 LYS 33 2HB LYS 33 -2.423 -11.560 -6.444 256 HB3 LYS 33 3HB LYS 33 -2.335 -13.277 -6.845 257 HG2 LYS 33 2HG LYS 33 -4.700 -13.354 -7.370 258 HG3 LYS 33 3HG LYS 33 -4.941 -11.724 -6.736 259 HD2 LYS 33 2HD LYS 33 -4.928 -11.714 -9.194 260 HD3 LYS 33 3HD LYS 33 -3.572 -10.787 -8.551 261 HE2 LYS 33 2HE LYS 33 -2.075 -12.724 -8.982 262 HE3 LYS 33 3HE LYS 33 -3.443 -13.608 -9.663 263 HZ1 LYS 33 1HZ LYS 33 -2.117 -12.596 -11.395 264 HZ2 LYS 33 2HZ LYS 33 -2.324 -11.064 -10.711 265 HZ3 LYS 33 3HZ LYS 33 -3.650 -11.883 -11.353 266 H ILE 34 H ILE 34 -2.024 -10.902 -3.846 267 HA ILE 34 HA ILE 34 0.477 -12.395 -3.313 268 HB ILE 34 HB ILE 34 1.621 -10.215 -3.350 269 HG12 ILE 34 2HG1 ILE 34 -1.167 -9.032 -3.777 270 HG13 ILE 34 3HG1 ILE 34 -0.099 -8.743 -2.416 271 HG21 ILE 34 1HG2 ILE 34 1.332 -9.675 -5.739 272 HG22 ILE 34 2HG2 ILE 34 -0.207 -10.537 -5.766 273 HG23 ILE 34 3HG2 ILE 34 1.294 -11.422 -5.494 274 HD11 ILE 34 1HD1 ILE 34 0.376 -7.837 -5.252 275 HD12 ILE 34 2HD1 ILE 34 1.448 -7.556 -3.879 276 HD13 ILE 34 3HD1 ILE 34 -0.161 -6.842 -3.898 277 H LEU 35 H LEU 35 -1.990 -10.452 -1.695 278 HA LEU 35 HA LEU 35 -0.627 -10.747 0.940 279 HB2 LEU 35 2HB LEU 35 -2.659 -8.630 0.105 280 HB3 LEU 35 3HB LEU 35 -1.866 -8.739 1.667 281 HG LEU 35 HG LEU 35 -0.558 -8.000 -0.978 282 HD11 LEU 35 1HD1 LEU 35 -1.065 -6.340 1.511 283 HD12 LEU 35 2HD1 LEU 35 -1.936 -6.212 -0.020 284 HD13 LEU 35 3HD1 LEU 35 -0.225 -5.805 0.055 285 HD21 LEU 35 1HD2 LEU 35 1.015 -9.300 0.359 286 HD22 LEU 35 2HD2 LEU 35 0.721 -8.264 1.757 287 HD23 LEU 35 3HD2 LEU 35 1.498 -7.606 0.314 288 H SER 36 H SER 36 -2.380 -10.510 2.743 289 HA SER 36 HA SER 36 -4.375 -12.545 2.541 290 HB2 SER 36 2HB SER 36 -3.923 -10.410 4.672 291 HB3 SER 36 3HB SER 36 -4.974 -11.819 4.846 292 HG SER 36 HG SER 36 -3.229 -12.710 5.588 293 HA PRO 37 HA PRO 37 -8.012 -10.174 1.188 294 HB2 PRO 37 2HB PRO 37 -9.944 -11.323 2.882 295 HB3 PRO 37 3HB PRO 37 -9.377 -12.033 1.358 296 HG2 PRO 37 2HG PRO 37 -8.474 -12.654 4.156 297 HG3 PRO 37 3HG PRO 37 -8.838 -13.761 2.809 298 HD2 PRO 37 2HD PRO 37 -6.301 -13.179 3.382 299 HD3 PRO 37 3HD PRO 37 -6.829 -13.288 1.687 300 H ASP 38 H ASP 38 -7.237 -10.474 4.590 301 HA ASP 38 HA ASP 38 -8.838 -8.529 5.782 302 HB2 ASP 38 2HB ASP 38 -5.999 -9.342 6.584 303 HB3 ASP 38 3HB ASP 38 -7.163 -8.522 7.620 304 H VAL 39 H VAL 39 -5.755 -8.200 4.119 305 HA VAL 39 HA VAL 39 -5.061 -5.611 5.075 306 HB VAL 39 HB VAL 39 -4.042 -7.038 2.566 307 HG11 VAL 39 1HG1 VAL 39 -2.037 -5.557 2.850 308 HG12 VAL 39 2HG1 VAL 39 -2.886 -4.701 4.135 309 HG13 VAL 39 3HG1 VAL 39 -3.515 -4.660 2.487 310 HG21 VAL 39 1HG2 VAL 39 -3.681 -8.415 4.593 311 HG22 VAL 39 2HG2 VAL 39 -2.872 -7.060 5.385 312 HG23 VAL 39 3HG2 VAL 39 -2.147 -7.813 3.959 313 H LEU 40 H LEU 40 -6.256 -6.712 1.868 314 HA LEU 40 HA LEU 40 -6.632 -4.101 0.822 315 HB2 LEU 40 2HB LEU 40 -7.802 -5.183 -1.023 316 HB3 LEU 40 3HB LEU 40 -6.350 -6.063 -0.601 317 HG LEU 40 HG LEU 40 -8.245 -7.446 0.879 318 HD11 LEU 40 1HD1 LEU 40 -9.669 -6.708 -1.690 319 HD12 LEU 40 2HD1 LEU 40 -10.132 -6.215 -0.057 320 HD13 LEU 40 3HD1 LEU 40 -10.184 -7.916 -0.506 321 HD21 LEU 40 1HD2 LEU 40 -7.442 -8.113 -1.958 322 HD22 LEU 40 2HD2 LEU 40 -8.069 -9.231 -0.740 323 HD23 LEU 40 3HD2 LEU 40 -6.505 -8.458 -0.502 324 H ASP 41 H ASP 41 -8.581 -6.102 2.850 325 HA ASP 41 HA ASP 41 -11.160 -5.039 2.387 326 HB2 ASP 41 2HB ASP 41 -10.636 -7.246 3.528 327 HB3 ASP 41 3HB ASP 41 -10.134 -6.348 4.956 328 H GLN 42 H GLN 42 -8.727 -4.341 4.911 329 HA GLN 42 HA GLN 42 -10.220 -2.195 6.084 330 HB2 GLN 42 2HB GLN 42 -8.205 -1.787 7.442 331 HB3 GLN 42 3HB GLN 42 -8.609 -3.495 7.413 332 HG2 GLN 42 2HG GLN 42 -6.817 -3.856 5.709 333 HG3 GLN 42 3HG GLN 42 -6.378 -2.158 5.838 334 HE21 GLN 42 1HE2 GLN 42 -7.247 -4.212 8.579 335 HE22 GLN 42 2HE2 GLN 42 -5.674 -4.247 9.279 336 H VAL 43 H VAL 43 -7.761 -2.422 3.595 337 HA VAL 43 HA VAL 43 -7.018 0.288 3.356 338 HB VAL 43 HB VAL 43 -6.872 -2.074 1.435 339 HG11 VAL 43 1HG1 VAL 43 -5.837 0.715 0.812 340 HG12 VAL 43 2HG1 VAL 43 -7.160 -0.104 -0.017 341 HG13 VAL 43 3HG1 VAL 43 -5.520 -0.738 -0.140 342 HG21 VAL 43 1HG2 VAL 43 -5.289 -2.036 3.339 343 HG22 VAL 43 2HG2 VAL 43 -4.696 -0.457 2.820 344 HG23 VAL 43 3HG2 VAL 43 -4.441 -1.876 1.799 345 H ARG 44 H ARG 44 -9.601 -1.573 1.694 346 HA ARG 44 HA ARG 44 -10.280 0.562 -0.088 347 HB2 ARG 44 2HB ARG 44 -12.114 -0.850 -0.845 348 HB3 ARG 44 3HB ARG 44 -10.655 -1.818 -0.656 349 HG2 ARG 44 2HG ARG 44 -11.566 -2.544 1.611 350 HG3 ARG 44 3HG ARG 44 -13.081 -1.760 1.160 351 HD2 ARG 44 2HD ARG 44 -11.749 -4.056 -0.320 352 HD3 ARG 44 3HD ARG 44 -13.152 -4.178 0.743 353 HE ARG 44 HE ARG 44 -13.765 -2.341 -1.266 354 HH11 ARG 44 1HH1 ARG 44 -13.127 -5.813 -0.992 355 HH12 ARG 44 2HH1 ARG 44 -14.108 -6.207 -2.371 356 HH21 ARG 44 1HH2 ARG 44 -15.034 -2.894 -3.060 357 HH22 ARG 44 2HH2 ARG 44 -15.181 -4.555 -3.538 358 H GLU 45 H GLU 45 -11.306 -0.239 3.156 359 HA GLU 45 HA GLU 45 -13.682 1.409 3.240 360 HB2 GLU 45 2HB GLU 45 -11.938 0.366 5.520 361 HB3 GLU 45 3HB GLU 45 -13.546 1.070 5.702 362 HG2 GLU 45 2HG GLU 45 -14.526 -0.771 4.417 363 HG3 GLU 45 3HG GLU 45 -12.927 -1.473 4.168 364 H HIS 46 H HIS 46 -10.366 1.753 4.500 365 HA HIS 46 HA HIS 46 -10.535 4.413 5.443 366 HB2 HIS 46 2HB HIS 46 -8.775 2.831 6.168 367 HB3 HIS 46 3HB HIS 46 -8.099 2.800 4.544 368 HD1 HIS 46 HD1 HIS 46 -8.561 5.174 7.477 369 HD2 HIS 46 HD2 HIS 46 -6.204 4.738 4.081 370 HE1 HIS 46 HE1 HIS 46 -6.775 6.936 7.655 371 HE2 HIS 46 HE2 HIS 46 -5.439 6.719 5.532 372 H ALA 47 H ALA 47 -9.967 3.067 2.312 373 HA ALA 47 HA ALA 47 -8.895 5.212 0.860 374 HB1 ALA 47 1HB ALA 47 -9.816 3.995 -1.089 375 HB2 ALA 47 2HB ALA 47 -10.755 2.975 0.001 376 HB3 ALA 47 3HB ALA 47 -8.991 2.915 0.035 377 H ARG 48 H ARG 48 -12.252 4.192 1.414 378 HA ARG 48 HA ARG 48 -13.593 6.235 0.023 379 HB2 ARG 48 2HB ARG 48 -14.484 4.629 2.460 380 HB3 ARG 48 3HB ARG 48 -15.551 5.639 1.490 381 HG2 ARG 48 2HG ARG 48 -15.053 4.181 -0.480 382 HG3 ARG 48 3HG ARG 48 -14.116 3.126 0.580 383 HD2 ARG 48 2HD ARG 48 -16.076 2.537 1.853 384 HD3 ARG 48 3HD ARG 48 -17.040 3.794 1.066 385 HE ARG 48 HE ARG 48 -16.077 2.041 -0.902 386 HH11 ARG 48 1HH1 ARG 48 -18.391 1.994 1.766 387 HH12 ARG 48 2HH1 ARG 48 -19.394 0.787 1.028 388 HH21 ARG 48 1HH2 ARG 48 -17.422 0.479 -1.868 389 HH22 ARG 48 2HH2 ARG 48 -18.841 -0.070 -1.034 390 H GLU 49 H GLU 49 -12.365 6.035 3.342 391 HA GLU 49 HA GLU 49 -13.552 8.359 4.403 392 HB2 GLU 49 2HB GLU 49 -10.927 7.012 5.177 393 HB3 GLU 49 3HB GLU 49 -11.752 8.233 6.144 394 HG2 GLU 49 2HG GLU 49 -12.804 5.484 5.442 395 HG3 GLU 49 3HG GLU 49 -12.196 6.002 7.013 396 H LEU 50 H LEU 50 -10.361 7.880 2.881 397 HA LEU 50 HA LEU 50 -9.406 10.536 3.119 398 HB2 LEU 50 2HB LEU 50 -8.674 8.483 0.992 399 HB3 LEU 50 3HB LEU 50 -7.726 9.900 1.426 400 HG LEU 50 HG LEU 50 -8.237 7.480 3.202 401 HD11 LEU 50 1HD1 LEU 50 -5.857 7.012 2.926 402 HD12 LEU 50 2HD1 LEU 50 -5.699 8.387 1.828 403 HD13 LEU 50 3HD1 LEU 50 -6.696 7.000 1.375 404 HD21 LEU 50 1HD2 LEU 50 -8.070 9.512 4.569 405 HD22 LEU 50 2HD2 LEU 50 -6.540 9.926 3.792 406 HD23 LEU 50 3HD2 LEU 50 -6.661 8.475 4.792 407 H GLN 51 H GLN 51 -11.321 8.880 0.681 408 HA GLN 51 HA GLN 51 -11.431 10.848 -1.330 409 HB2 GLN 51 2HB GLN 51 -12.149 8.524 -1.713 410 HB3 GLN 51 3HB GLN 51 -13.445 8.692 -0.538 411 HG2 GLN 51 2HG GLN 51 -14.583 10.316 -2.010 412 HG3 GLN 51 3HG GLN 51 -13.263 10.189 -3.171 413 HE21 GLN 51 1HE2 GLN 51 -14.614 7.421 -1.429 414 HE22 GLN 51 2HE2 GLN 51 -15.347 6.687 -2.804 415 H LYS 52 H LYS 52 -13.570 10.225 1.471 416 HA LYS 52 HA LYS 52 -15.477 12.260 1.022 417 HB2 LYS 52 2HB LYS 52 -14.589 11.064 3.694 418 HB3 LYS 52 3HB LYS 52 -16.054 12.009 3.440 419 HG2 LYS 52 2HG LYS 52 -16.886 10.235 1.895 420 HG3 LYS 52 3HG LYS 52 -15.444 9.295 2.250 421 HD2 LYS 52 2HD LYS 52 -17.015 8.339 3.697 422 HD3 LYS 52 3HD LYS 52 -16.191 9.486 4.748 423 HE2 LYS 52 2HE LYS 52 -18.877 9.925 3.392 424 HE3 LYS 52 3HE LYS 52 -18.624 9.521 5.087 425 HZ1 LYS 52 1HZ LYS 52 -19.029 11.844 4.902 426 HZ2 LYS 52 2HZ LYS 52 -17.833 12.034 3.724 427 HZ3 LYS 52 3HZ LYS 52 -17.401 11.644 5.308 428 H GLN 53 H GLN 53 -12.421 12.225 2.793 429 HA GLN 53 HA GLN 53 -12.633 14.875 3.881 430 HB2 GLN 53 2HB GLN 53 -10.264 12.961 3.682 431 HB3 GLN 53 3HB GLN 53 -10.250 14.471 4.589 432 HG2 GLN 53 2HG GLN 53 -11.950 13.646 6.111 433 HG3 GLN 53 3HG GLN 53 -12.151 12.177 5.156 434 HE21 GLN 53 1HE2 GLN 53 -10.508 10.576 5.252 435 HE22 GLN 53 2HE2 GLN 53 -9.353 10.535 6.531 436 H GLY 54 H GLY 54 -11.559 13.569 0.848 437 HA2 GLY 54 2HA GLY 54 -11.093 14.709 -1.110 438 HA3 GLY 54 3HA GLY 54 -11.117 16.228 -0.231 439 H ILE 55 H ILE 55 -9.155 13.383 0.429 440 HA ILE 55 HA ILE 55 -6.673 14.932 0.300 441 HB ILE 55 HB ILE 55 -7.121 12.045 1.224 442 HG12 ILE 55 2HG1 ILE 55 -6.888 14.608 2.876 443 HG13 ILE 55 3HG1 ILE 55 -8.360 13.681 2.630 444 HG21 ILE 55 1HG2 ILE 55 -4.702 13.861 1.597 445 HG22 ILE 55 2HG2 ILE 55 -4.786 12.451 0.538 446 HG23 ILE 55 3HG2 ILE 55 -4.888 12.245 2.286 447 HD11 ILE 55 1HD1 ILE 55 -7.390 11.815 3.871 448 HD12 ILE 55 2HD1 ILE 55 -7.439 13.298 4.819 449 HD13 ILE 55 3HD1 ILE 55 -5.913 12.751 4.128 450 H HIS 56 H HIS 56 -6.457 15.207 -1.920 451 HA HIS 56 HA HIS 56 -6.375 12.893 -3.730 452 HB2 HIS 56 2HB HIS 56 -6.057 15.872 -4.323 453 HB3 HIS 56 3HB HIS 56 -6.203 14.594 -5.526 454 HD1 HIS 56 HD1 HIS 56 -8.579 13.522 -5.833 455 HD2 HIS 56 HD2 HIS 56 -8.445 16.681 -3.144 456 HE1 HIS 56 HE1 HIS 56 -10.968 14.171 -5.430 457 HE2 HIS 56 HE2 HIS 56 -10.861 15.960 -3.669 458 H PHE 57 H PHE 57 -4.436 11.840 -3.874 459 HA PHE 57 HA PHE 57 -1.905 13.357 -3.635 460 HB2 PHE 57 2HB PHE 57 -0.996 11.632 -2.096 461 HB3 PHE 57 3HB PHE 57 -2.401 12.435 -1.399 462 HD1 PHE 57 HD1 PHE 57 -1.060 9.288 -2.665 463 HD2 PHE 57 HD2 PHE 57 -4.573 11.230 -1.192 464 HE1 PHE 57 HE1 PHE 57 -2.144 7.115 -2.380 465 HE2 PHE 57 HE2 PHE 57 -5.647 9.033 -0.908 466 HZ PHE 57 HZ PHE 57 -4.419 7.000 -1.521 467 H GLU 58 H GLU 58 -0.114 12.363 -4.637 468 HA GLU 58 HA GLU 58 -0.680 10.054 -6.394 469 HB2 GLU 58 2HB GLU 58 -0.647 12.208 -7.694 470 HB3 GLU 58 3HB GLU 58 0.992 12.509 -7.124 471 HG2 GLU 58 2HG GLU 58 0.988 11.626 -9.416 472 HG3 GLU 58 3HG GLU 58 1.806 10.534 -8.303 473 H VAL 59 H VAL 59 0.892 8.570 -6.560 474 HA VAL 59 HA VAL 59 2.955 8.318 -4.600 475 HB VAL 59 HB VAL 59 2.481 6.697 -7.161 476 HG11 VAL 59 1HG1 VAL 59 3.737 4.899 -6.022 477 HG12 VAL 59 2HG1 VAL 59 4.041 5.974 -4.656 478 HG13 VAL 59 3HG1 VAL 59 4.727 6.345 -6.239 479 HG21 VAL 59 1HG2 VAL 59 0.470 6.689 -5.729 480 HG22 VAL 59 2HG2 VAL 59 1.436 6.135 -4.359 481 HG23 VAL 59 3HG2 VAL 59 1.230 5.096 -5.771 482 H LYS 60 H LYS 60 4.794 9.545 -4.750 483 HA LYS 60 HA LYS 60 5.779 10.432 -7.394 484 HB2 LYS 60 2HB LYS 60 6.531 11.463 -4.622 485 HB3 LYS 60 3HB LYS 60 7.026 12.164 -6.158 486 HG2 LYS 60 2HG LYS 60 4.239 12.105 -4.972 487 HG3 LYS 60 3HG LYS 60 5.260 13.518 -5.225 488 HD2 LYS 60 2HD LYS 60 3.937 11.812 -7.370 489 HD3 LYS 60 3HD LYS 60 3.486 13.450 -6.901 490 HE2 LYS 60 2HE LYS 60 6.107 12.649 -8.219 491 HE3 LYS 60 3HE LYS 60 4.747 13.432 -9.017 492 HZ1 LYS 60 1HZ LYS 60 5.053 15.345 -7.598 493 HZ2 LYS 60 2HZ LYS 60 6.472 15.002 -8.443 494 HZ3 LYS 60 3HZ LYS 60 6.344 14.599 -6.810 495 H ARG 61 H ARG 61 6.734 8.502 -4.615 496 HA ARG 61 HA ARG 61 9.198 7.662 -6.030 497 HB2 ARG 61 2HB ARG 61 9.777 9.336 -4.238 498 HB3 ARG 61 3HB ARG 61 8.997 8.305 -3.047 499 HG2 ARG 61 2HG ARG 61 11.325 7.919 -2.826 500 HG3 ARG 61 3HG ARG 61 10.691 6.498 -3.660 501 HD2 ARG 61 2HD ARG 61 12.780 7.187 -4.682 502 HD3 ARG 61 3HD ARG 61 11.463 7.481 -5.825 503 HE ARG 61 HE ARG 61 11.835 9.840 -4.391 504 HH11 ARG 61 1HH1 ARG 61 13.761 7.896 -6.614 505 HH12 ARG 61 2HH1 ARG 61 14.672 9.253 -7.197 506 HH21 ARG 61 1HH2 ARG 61 13.049 11.607 -5.160 507 HH22 ARG 61 2HH2 ARG 61 14.268 11.361 -6.371 508 H VAL 62 H VAL 62 9.277 5.462 -6.176 509 HA VAL 62 HA VAL 62 8.138 3.824 -3.972 510 HB VAL 62 HB VAL 62 8.423 2.884 -6.886 511 HG11 VAL 62 1HG1 VAL 62 8.649 1.065 -5.233 512 HG12 VAL 62 2HG1 VAL 62 7.144 0.902 -6.138 513 HG13 VAL 62 3HG1 VAL 62 7.116 1.531 -4.489 514 HG21 VAL 62 1HG2 VAL 62 5.878 3.632 -5.404 515 HG22 VAL 62 2HG2 VAL 62 5.960 2.930 -7.023 516 HG23 VAL 62 3HG2 VAL 62 6.610 4.543 -6.726 517 H GLU 63 H GLU 63 9.826 3.046 -2.795 518 HA GLU 63 HA GLU 63 12.167 1.898 -4.206 519 HB2 GLU 63 2HB GLU 63 12.189 3.606 -1.671 520 HB3 GLU 63 3HB GLU 63 13.558 2.616 -2.178 521 HG2 GLU 63 2HG GLU 63 13.727 3.917 -4.268 522 HG3 GLU 63 3HG GLU 63 12.348 4.894 -3.768 523 H VAL 64 H VAL 64 11.838 -0.237 -3.937 524 HA VAL 64 HA VAL 64 10.784 -1.286 -1.391 525 HB VAL 64 HB VAL 64 9.588 -2.082 -3.348 526 HG11 VAL 64 1HG1 VAL 64 11.246 -1.774 -5.111 527 HG12 VAL 64 2HG1 VAL 64 10.604 -3.416 -5.161 528 HG13 VAL 64 3HG1 VAL 64 12.207 -3.118 -4.484 529 HG21 VAL 64 1HG2 VAL 64 11.330 -4.302 -2.224 530 HG22 VAL 64 2HG2 VAL 64 9.798 -4.529 -3.068 531 HG23 VAL 64 3HG2 VAL 64 9.831 -3.683 -1.522 532 H THR 65 H THR 65 12.260 -1.888 0.079 533 HA THR 65 HA THR 65 14.834 -3.108 -0.737 534 HB THR 65 HB THR 65 14.443 -1.082 1.522 535 HG1 THR 65 HG1 THR 65 14.531 -0.441 -0.889 536 HG21 THR 65 1HG2 THR 65 16.912 -1.162 1.744 537 HG22 THR 65 2HG2 THR 65 16.994 -2.408 0.498 538 HG23 THR 65 3HG2 THR 65 16.206 -2.755 2.038 539 H THR 66 H THR 66 15.184 -5.025 0.291 540 HA THR 66 HA THR 66 13.234 -5.997 2.241 541 HB THR 66 HB THR 66 14.413 -8.211 1.887 542 HG1 THR 66 HG1 THR 66 15.854 -6.887 -0.189 543 HG21 THR 66 1HG2 THR 66 12.468 -7.633 0.484 544 HG22 THR 66 2HG2 THR 66 13.648 -8.565 -0.440 545 HG23 THR 66 3HG2 THR 66 13.528 -6.819 -0.670 546 H ASP 67 H ASP 67 13.761 -6.627 4.305 547 HA ASP 67 HA ASP 67 16.520 -6.264 5.322 548 HB2 ASP 67 2HB ASP 67 15.171 -4.264 5.970 549 HB3 ASP 67 3HB ASP 67 13.948 -5.313 6.674 550 H GLY 68 H GLY 68 16.877 -8.434 5.319 551 HA2 GLY 68 2HA GLY 68 16.797 -10.644 5.864 552 HA3 GLY 68 3HA GLY 68 15.772 -10.219 7.230 553 H ASN 69 H ASN 69 13.882 -11.250 7.157 554 HA ASN 69 HA ASN 69 12.706 -12.132 4.620 555 HB2 ASN 69 2HB ASN 69 11.081 -13.373 6.131 556 HB3 ASN 69 3HB ASN 69 12.765 -13.849 6.306 557 HD21 ASN 69 1HD2 ASN 69 12.231 -14.735 8.354 558 HD22 ASN 69 2HD2 ASN 69 12.028 -13.727 9.744 559 H THR 70 H THR 70 12.488 -9.379 6.524 560 HA THR 70 HA THR 70 9.629 -8.890 5.871 561 HB THR 70 HB THR 70 11.333 -7.540 8.007 562 HG1 THR 70 HG1 THR 70 10.564 -9.934 8.133 563 HG21 THR 70 1HG2 THR 70 9.472 -6.116 7.237 564 HG22 THR 70 2HG2 THR 70 9.153 -6.720 8.863 565 HG23 THR 70 3HG2 THR 70 8.332 -7.445 7.480 566 H VAL 71 H VAL 71 9.359 -7.568 4.207 567 HA VAL 71 HA VAL 71 11.567 -5.913 3.206 568 HB VAL 71 HB VAL 71 10.593 -7.421 1.593 569 HG11 VAL 71 1HG1 VAL 71 7.893 -6.191 2.060 570 HG12 VAL 71 2HG1 VAL 71 8.408 -7.796 2.581 571 HG13 VAL 71 3HG1 VAL 71 8.285 -7.427 0.859 572 HG21 VAL 71 1HG2 VAL 71 11.323 -5.249 0.713 573 HG22 VAL 71 2HG2 VAL 71 9.695 -4.603 0.937 574 HG23 VAL 71 3HG2 VAL 71 9.980 -5.894 -0.234 575 H ASN 72 H ASN 72 11.571 -3.776 3.307 576 HA ASN 72 HA ASN 72 9.254 -2.217 4.275 577 HB2 ASN 72 2HB ASN 72 12.233 -1.514 4.123 578 HB3 ASN 72 3HB ASN 72 10.972 -0.447 4.735 579 HD21 ASN 72 1HD2 ASN 72 12.799 -3.382 5.379 580 HD22 ASN 72 2HD2 ASN 72 12.417 -3.456 7.059 581 H VAL 73 H VAL 73 8.096 -1.537 2.513 582 HA VAL 73 HA VAL 73 9.482 -0.415 0.180 583 HB VAL 73 HB VAL 73 6.460 -0.644 0.650 584 HG11 VAL 73 1HG1 VAL 73 6.279 -0.214 -1.800 585 HG12 VAL 73 2HG1 VAL 73 8.026 0.032 -1.882 586 HG13 VAL 73 3HG1 VAL 73 7.021 1.147 -0.955 587 HG21 VAL 73 1HG2 VAL 73 6.549 -2.571 -0.893 588 HG22 VAL 73 2HG2 VAL 73 7.540 -2.859 0.539 589 HG23 VAL 73 3HG2 VAL 73 8.307 -2.418 -0.988 590 H THR 74 H THR 74 10.343 1.497 0.682 591 HA THR 74 HA THR 74 8.947 3.532 2.232 592 HB THR 74 HB THR 74 11.631 3.625 0.778 593 HG1 THR 74 HG1 THR 74 10.936 2.391 3.018 594 HG21 THR 74 1HG2 THR 74 10.446 5.566 2.811 595 HG22 THR 74 2HG2 THR 74 10.743 5.905 1.103 596 HG23 THR 74 3HG2 THR 74 12.099 5.621 2.196 597 H VAL 75 H VAL 75 7.305 4.398 1.143 598 HA VAL 75 HA VAL 75 7.611 5.298 -1.665 599 HB VAL 75 HB VAL 75 5.891 3.545 -1.407 600 HG11 VAL 75 1HG1 VAL 75 5.373 3.875 0.972 601 HG12 VAL 75 2HG1 VAL 75 3.918 3.822 -0.010 602 HG13 VAL 75 3HG1 VAL 75 4.513 5.369 0.586 603 HG21 VAL 75 1HG2 VAL 75 5.428 5.242 -3.096 604 HG22 VAL 75 2HG2 VAL 75 4.637 6.269 -1.901 605 HG23 VAL 75 3HG2 VAL 75 3.914 4.722 -2.352 606 H GLU 76 H GLU 76 7.352 7.484 -2.030 607 HA GLU 76 HA GLU 76 6.474 9.211 0.221 608 HB2 GLU 76 2HB GLU 76 8.931 9.370 -0.285 609 HB3 GLU 76 3HB GLU 76 8.539 9.879 -1.927 610 HG2 GLU 76 2HG GLU 76 7.362 11.860 -1.016 611 HG3 GLU 76 3HG GLU 76 7.799 11.351 0.614 612 H LEU 77 H LEU 77 4.727 10.373 -0.202 613 HA LEU 77 HA LEU 77 3.794 10.763 -2.986 614 HB2 LEU 77 2HB LEU 77 1.958 10.291 -0.596 615 HB3 LEU 77 3HB LEU 77 1.525 10.350 -2.295 616 HG LEU 77 HG LEU 77 3.157 8.201 -2.426 617 HD11 LEU 77 1HD1 LEU 77 2.968 6.777 -0.442 618 HD12 LEU 77 2HD1 LEU 77 2.172 8.086 0.437 619 HD13 LEU 77 3HD1 LEU 77 3.850 8.262 -0.085 620 HD21 LEU 77 1HD2 LEU 77 1.217 6.739 -2.202 621 HD22 LEU 77 2HD2 LEU 77 0.815 8.197 -3.105 622 HD23 LEU 77 3HD2 LEU 77 0.308 8.036 -1.421 623 H GLU 78 H GLU 78 2.322 12.591 -3.231 624 HA GLU 78 HA GLU 78 2.725 14.755 -1.228 625 HB2 GLU 78 2HB GLU 78 2.457 14.836 -4.258 626 HB3 GLU 78 3HB GLU 78 2.136 16.260 -3.277 627 HG2 GLU 78 2HG GLU 78 4.414 16.159 -2.363 628 HG3 GLU 78 3HG GLU 78 4.753 14.737 -3.355 629 H GLU 79 H GLU 79 0.977 14.658 0.038 630 HA GLU 79 HA GLU 79 -1.674 14.012 -0.963 631 HB2 GLU 79 2HB GLU 79 -0.844 14.734 1.881 632 HB3 GLU 79 3HB GLU 79 -2.344 13.958 1.376 633 HG2 GLU 79 2HG GLU 79 -0.927 12.009 0.544 634 HG3 GLU 79 3HG GLU 79 0.449 12.781 1.333 635 H THR 80 H THR 80 -2.590 15.659 -2.050 636 HA THR 80 HA THR 80 -2.510 18.412 -1.095 637 HB THR 80 HB THR 80 -3.962 17.244 -3.521 638 HG1 THR 80 HG1 THR 80 -2.044 17.111 -4.347 639 HG21 THR 80 1HG2 THR 80 -4.831 19.458 -2.814 640 HG22 THR 80 2HG2 THR 80 -3.989 19.555 -4.361 641 HG23 THR 80 3HG2 THR 80 -3.196 20.123 -2.890 642 H THR 81 H THR 81 -3.751 18.654 0.635 643 HA THR 81 HA THR 81 -6.625 18.087 0.533 644 HB THR 81 HB THR 81 -5.708 16.158 1.725 645 HG1 THR 81 HG1 THR 81 -7.663 16.925 2.533 646 HG21 THR 81 1HG2 THR 81 -4.437 18.100 3.698 647 HG22 THR 81 2HG2 THR 81 -3.562 17.123 2.513 648 HG23 THR 81 3HG2 THR 81 -4.445 16.340 3.826 649 H GLY 82 H GLY 82 -7.842 19.644 1.540 650 HA2 GLY 82 2HA GLY 82 -8.401 21.727 2.353 651 HA3 GLY 82 3HA GLY 82 -6.818 21.814 3.117 652 H GLY 83 H GLY 83 -6.749 21.072 -0.218 653 HA2 GLY 83 2HA GLY 83 -6.335 22.354 -2.126 654 HA3 GLY 83 3HA GLY 83 -6.316 23.816 -1.155 655 H THR 84 H THR 84 -4.428 22.284 0.745 656 HA THR 84 HA THR 84 -1.971 23.209 -0.560 657 HB THR 84 HB THR 84 -1.020 22.973 1.810 658 HG1 THR 84 HG1 THR 84 -2.945 21.504 2.343 659 HG21 THR 84 1HG2 THR 84 -2.141 25.002 2.666 660 HG22 THR 84 2HG2 THR 84 -3.440 24.792 1.490 661 HG23 THR 84 3HG2 THR 84 -1.803 25.156 0.940 662 H THR 85 H THR 85 -0.329 21.904 -1.120 663 HA THR 85 HA THR 85 -0.600 19.003 -0.988 664 HB THR 85 HB THR 85 1.516 20.752 -2.327 665 HG1 THR 85 HG1 THR 85 -0.776 19.493 -3.476 666 HG21 THR 85 1HG2 THR 85 1.974 18.773 -3.715 667 HG22 THR 85 2HG2 THR 85 0.816 17.836 -2.772 668 HG23 THR 85 3HG2 THR 85 2.291 18.434 -2.010 669 H THR 86 H THR 86 0.380 17.819 0.538 670 HA THR 86 HA THR 86 2.695 18.853 2.073 671 HB THR 86 HB THR 86 0.419 17.054 3.078 672 HG1 THR 86 HG1 THR 86 0.993 19.805 3.307 673 HG21 THR 86 1HG2 THR 86 2.598 16.509 4.154 674 HG22 THR 86 2HG2 THR 86 1.471 17.259 5.288 675 HG23 THR 86 3HG2 THR 86 2.791 18.208 4.599 676 H ASN 87 H ASN 87 4.454 17.703 1.550 677 HA ASN 87 HA ASN 87 4.344 15.120 0.246 678 HB2 ASN 87 2HB ASN 87 6.046 16.856 -0.361 679 HB3 ASN 87 3HB ASN 87 6.730 16.748 1.259 680 HD21 ASN 87 1HD2 ASN 87 6.394 15.126 -1.822 681 HD22 ASN 87 2HD2 ASN 87 7.618 13.942 -1.549 682 H THR 88 H THR 88 4.193 13.258 1.357 683 HA THR 88 HA THR 88 5.130 12.982 4.149 684 HB THR 88 HB THR 88 2.438 12.042 3.020 685 HG1 THR 88 HG1 THR 88 1.581 13.754 4.001 686 HG21 THR 88 1HG2 THR 88 1.919 11.413 5.356 687 HG22 THR 88 2HG2 THR 88 3.561 11.840 5.842 688 HG23 THR 88 3HG2 THR 88 3.286 10.489 4.737 689 H THR 89 H THR 89 6.235 11.082 4.491 690 HA THR 89 HA THR 89 6.359 9.038 2.371 691 HB THR 89 HB THR 89 8.079 9.366 4.879 692 HG1 THR 89 HG1 THR 89 8.958 9.881 2.245 693 HG21 THR 89 1HG2 THR 89 8.096 7.036 4.036 694 HG22 THR 89 2HG2 THR 89 9.653 7.824 3.773 695 HG23 THR 89 3HG2 THR 89 8.531 7.628 2.426 696 H TYR 90 H TYR 90 5.772 6.939 2.754 697 HA TYR 90 HA TYR 90 4.753 6.100 5.396 698 HB2 TYR 90 2HB TYR 90 3.638 5.432 2.625 699 HB3 TYR 90 3HB TYR 90 3.189 4.554 4.079 700 HD1 TYR 90 HD1 TYR 90 3.049 7.939 2.477 701 HD2 TYR 90 HD2 TYR 90 1.412 5.362 5.471 702 HE1 TYR 90 HE1 TYR 90 1.221 9.536 2.856 703 HE2 TYR 90 HE2 TYR 90 -0.406 6.970 5.851 704 HH TYR 90 HH TYR 90 -1.011 9.626 3.764 705 H GLU 91 H GLU 91 5.944 4.408 6.154 706 HA GLU 91 HA GLU 91 7.441 2.657 4.306 707 HB2 GLU 91 2HB GLU 91 7.501 2.969 7.340 708 HB3 GLU 91 3HB GLU 91 8.305 1.636 6.515 709 HG2 GLU 91 2HG GLU 91 9.715 3.259 5.292 710 HG3 GLU 91 3HG GLU 91 8.916 4.579 6.150 711 H LEU 92 H LEU 92 5.981 1.223 3.447 712 HA LEU 92 HA LEU 92 4.089 -0.187 5.195 713 HB2 LEU 92 2HB LEU 92 4.549 -0.381 2.185 714 HB3 LEU 92 3HB LEU 92 3.384 -1.345 3.079 715 HG LEU 92 HG LEU 92 2.297 0.889 3.792 716 HD11 LEU 92 1HD1 LEU 92 2.623 2.811 2.323 717 HD12 LEU 92 2HD1 LEU 92 3.952 1.975 1.516 718 HD13 LEU 92 3HD1 LEU 92 4.085 2.412 3.221 719 HD21 LEU 92 1HD2 LEU 92 2.187 0.112 0.867 720 HD22 LEU 92 2HD2 LEU 92 0.977 1.062 1.735 721 HD23 LEU 92 3HD2 LEU 92 1.257 -0.621 2.175 722 H ARG 93 H ARG 93 4.984 -1.720 6.360 723 HA ARG 93 HA ARG 93 7.427 -3.101 5.464 724 HB2 ARG 93 2HB ARG 93 7.411 -1.697 7.567 725 HB3 ARG 93 3HB ARG 93 6.238 -2.811 8.263 726 HG2 ARG 93 2HG ARG 93 7.870 -4.617 8.246 727 HG3 ARG 93 3HG ARG 93 9.023 -3.614 7.359 728 HD2 ARG 93 2HD ARG 93 8.019 -3.127 10.184 729 HD3 ARG 93 3HD ARG 93 9.633 -3.687 9.722 730 HE ARG 93 HE ARG 93 9.356 -1.340 8.373 731 HH11 ARG 93 1HH1 ARG 93 9.043 -2.176 11.774 732 HH12 ARG 93 2HH1 ARG 93 9.524 -0.608 12.326 733 HH21 ARG 93 1HH2 ARG 93 9.970 0.716 9.093 734 HH22 ARG 93 2HH2 ARG 93 10.057 1.042 10.794 735 H PHE 94 H PHE 94 6.709 -4.827 4.337 736 HA PHE 94 HA PHE 94 4.410 -6.418 5.159 737 HB2 PHE 94 2HB PHE 94 6.242 -6.623 2.721 738 HB3 PHE 94 3HB PHE 94 4.789 -7.577 2.972 739 HD1 PHE 94 HD1 PHE 94 6.107 -4.253 2.104 740 HD2 PHE 94 HD2 PHE 94 2.561 -6.581 2.676 741 HE1 PHE 94 HE1 PHE 94 4.771 -2.519 0.969 742 HE2 PHE 94 HE2 PHE 94 1.240 -4.843 1.540 743 HZ PHE 94 HZ PHE 94 2.342 -2.813 0.682 744 H GLU 95 H GLU 95 4.806 -7.925 6.689 745 HA GLU 95 HA GLU 95 7.348 -9.407 6.735 746 HB2 GLU 95 2HB GLU 95 6.479 -8.455 8.880 747 HB3 GLU 95 3HB GLU 95 5.037 -9.456 8.724 748 HG2 GLU 95 2HG GLU 95 6.446 -11.495 8.840 749 HG3 GLU 95 3HG GLU 95 7.881 -10.483 9.021 750 H VAL 96 H VAL 96 7.473 -11.496 6.165 751 HA VAL 96 HA VAL 96 5.271 -12.656 4.657 752 HB VAL 96 HB VAL 96 6.905 -14.260 3.793 753 HG11 VAL 96 1HG1 VAL 96 8.442 -12.705 2.666 754 HG12 VAL 96 2HG1 VAL 96 8.063 -11.450 3.850 755 HG13 VAL 96 3HG1 VAL 96 6.810 -12.037 2.753 756 HG21 VAL 96 1HG2 VAL 96 9.284 -14.245 4.479 757 HG22 VAL 96 2HG2 VAL 96 8.235 -14.671 5.832 758 HG23 VAL 96 3HG2 VAL 96 8.927 -13.050 5.732 759 H ASP 97 H ASP 97 4.393 -14.657 5.004 760 HA ASP 97 HA ASP 97 5.183 -16.258 7.366 761 HB2 ASP 97 2HB ASP 97 3.084 -15.055 7.911 762 HB3 ASP 97 3HB ASP 97 2.346 -15.630 6.425 763 H GLY 98 H GLY 98 6.222 -17.850 6.302 764 HA2 GLY 98 2HA GLY 98 6.563 -19.717 5.015 765 HA3 GLY 98 3HA GLY 98 4.864 -19.677 4.557 766 H ASP 99 H ASP 99 4.282 -18.774 2.628 767 HA ASP 99 HA ASP 99 6.404 -17.636 0.880 768 HB2 ASP 99 2HB ASP 99 3.977 -19.287 0.027 769 HB3 ASP 99 3HB ASP 99 5.224 -18.653 -1.043 770 H THR 100 H THR 100 3.371 -17.084 2.367 771 HA THR 100 HA THR 100 2.665 -14.905 0.474 772 HB THR 100 HB THR 100 0.821 -16.539 2.292 773 HG1 THR 100 HG1 THR 100 1.196 -17.827 0.594 774 HG21 THR 100 1HG2 THR 100 -0.026 -14.234 2.030 775 HG22 THR 100 2HG2 THR 100 -1.034 -15.372 1.135 776 HG23 THR 100 3HG2 THR 100 0.127 -14.360 0.272 777 H ILE 101 H ILE 101 2.535 -12.888 1.266 778 HA ILE 101 HA ILE 101 3.407 -12.211 3.915 779 HB ILE 101 HB ILE 101 2.204 -10.449 1.724 780 HG12 ILE 101 2HG1 ILE 101 5.154 -10.889 2.389 781 HG13 ILE 101 3HG1 ILE 101 4.316 -11.643 1.040 782 HG21 ILE 101 1HG2 ILE 101 3.762 -9.652 4.208 783 HG22 ILE 101 2HG2 ILE 101 2.041 -9.382 3.924 784 HG23 ILE 101 3HG2 ILE 101 3.237 -8.553 2.929 785 HD11 ILE 101 1HD1 ILE 101 4.774 -8.680 1.395 786 HD12 ILE 101 2HD1 ILE 101 3.928 -9.442 0.045 787 HD13 ILE 101 3HD1 ILE 101 5.641 -9.761 0.306 788 H ARG 102 H ARG 102 2.087 -12.287 5.640 789 HA ARG 102 HA ARG 102 -0.848 -11.989 5.343 790 HB2 ARG 102 2HB ARG 102 0.709 -13.188 7.666 791 HB3 ARG 102 3HB ARG 102 -1.042 -13.192 7.472 792 HG2 ARG 102 2HG ARG 102 0.945 -14.652 5.709 793 HG3 ARG 102 3HG ARG 102 -0.051 -15.382 6.966 794 HD2 ARG 102 2HD ARG 102 -2.077 -14.741 5.690 795 HD3 ARG 102 3HD ARG 102 -1.043 -14.077 4.418 796 HE ARG 102 HE ARG 102 -0.188 -16.664 4.772 797 HH11 ARG 102 1HH1 ARG 102 -3.247 -15.177 3.871 798 HH12 ARG 102 2HH1 ARG 102 -3.746 -16.533 2.910 799 HH21 ARG 102 1HH2 ARG 102 -0.859 -18.412 3.524 800 HH22 ARG 102 2HH2 ARG 102 -2.390 -18.364 2.715 801 H ARG 103 H ARG 103 1.806 -10.173 6.219 802 HA ARG 103 HA ARG 103 0.298 -8.529 8.163 803 HB2 ARG 103 2HB ARG 103 1.833 -10.157 9.347 804 HB3 ARG 103 3HB ARG 103 3.198 -9.445 8.502 805 HG2 ARG 103 2HG ARG 103 2.754 -7.275 9.638 806 HG3 ARG 103 3HG ARG 103 1.404 -8.016 10.503 807 HD2 ARG 103 2HD ARG 103 3.066 -9.682 11.464 808 HD3 ARG 103 3HD ARG 103 4.351 -8.705 10.743 809 HE ARG 103 HE ARG 103 2.603 -7.156 12.400 810 HH11 ARG 103 1HH1 ARG 103 5.402 -9.303 12.512 811 HH12 ARG 103 2HH1 ARG 103 5.956 -8.670 14.030 812 HH21 ARG 103 1HH2 ARG 103 3.309 -6.406 14.399 813 HH22 ARG 103 2HH2 ARG 103 4.766 -7.025 15.099 814 H VAL 104 H VAL 104 0.569 -6.403 7.902 815 HA VAL 104 HA VAL 104 2.942 -5.278 6.616 816 HB VAL 104 HB VAL 104 1.373 -5.450 4.739 817 HG11 VAL 104 1HG1 VAL 104 -0.803 -4.295 4.688 818 HG12 VAL 104 2HG1 VAL 104 -0.614 -3.853 6.387 819 HG13 VAL 104 3HG1 VAL 104 -0.758 -5.551 5.927 820 HG21 VAL 104 1HG2 VAL 104 2.848 -3.488 4.794 821 HG22 VAL 104 2HG2 VAL 104 1.631 -2.567 5.680 822 HG23 VAL 104 3HG2 VAL 104 1.314 -3.085 4.022 823 H THR 105 H THR 105 3.640 -3.592 7.794 824 HA THR 105 HA THR 105 1.790 -2.141 9.596 825 HB THR 105 HB THR 105 4.843 -2.384 9.692 826 HG1 THR 105 HG1 THR 105 2.734 -3.748 10.959 827 HG21 THR 105 1HG2 THR 105 4.673 -1.328 11.915 828 HG22 THR 105 2HG2 THR 105 2.940 -1.093 11.686 829 HG23 THR 105 3HG2 THR 105 4.090 -0.235 10.656 830 H VAL 106 H VAL 106 1.027 -0.484 8.391 831 HA VAL 106 HA VAL 106 2.756 1.040 6.570 832 HB VAL 106 HB VAL 106 -0.220 1.492 7.159 833 HG11 VAL 106 1HG1 VAL 106 0.875 3.466 6.188 834 HG12 VAL 106 2HG1 VAL 106 -0.239 2.747 5.024 835 HG13 VAL 106 3HG1 VAL 106 1.500 2.490 4.856 836 HG21 VAL 106 1HG2 VAL 106 1.011 -0.125 4.895 837 HG22 VAL 106 2HG2 VAL 106 -0.702 0.267 5.061 838 HG23 VAL 106 3HG2 VAL 106 0.086 -0.772 6.250 839 H THR 107 H THR 107 4.047 2.411 7.648 840 HA THR 107 HA THR 107 3.066 3.892 10.011 841 HB THR 107 HB THR 107 5.929 3.470 9.006 842 HG1 THR 107 HG1 THR 107 4.388 2.110 10.979 843 HG21 THR 107 1HG2 THR 107 6.617 4.233 11.238 844 HG22 THR 107 2HG2 THR 107 4.934 4.545 11.674 845 HG23 THR 107 3HG2 THR 107 5.711 5.500 10.405 846 H GLN 108 H GLN 108 2.242 5.846 9.418 847 HA GLN 108 HA GLN 108 3.217 7.419 7.210 848 HB2 GLN 108 2HB GLN 108 0.857 7.626 8.091 849 HB3 GLN 108 3HB GLN 108 1.498 8.332 9.572 850 HG2 GLN 108 2HG GLN 108 2.461 10.204 8.226 851 HG3 GLN 108 3HG GLN 108 1.742 9.501 6.778 852 HE21 GLN 108 1HE2 GLN 108 0.443 11.274 6.327 853 HE22 GLN 108 2HE2 GLN 108 -0.901 11.734 7.309 854 H ASN 109 H ASN 109 5.277 8.038 7.362 855 HA ASN 109 HA ASN 109 6.737 8.460 9.768 856 HB2 ASN 109 2HB ASN 109 7.431 9.168 6.878 857 HB3 ASN 109 3HB ASN 109 8.573 9.199 8.223 858 HD21 ASN 109 1HD2 ASN 109 9.212 7.206 9.169 859 HD22 ASN 109 2HD2 ASN 109 9.036 5.715 8.320 860 H GLY 110 H GLY 110 7.099 10.260 10.906 861 HA2 GLY 110 2HA GLY 110 6.828 12.943 9.872 862 HA3 GLY 110 3HA GLY 110 5.556 12.485 11.005 863 H GLY 111 H GLY 111 6.428 11.387 13.081 864 HA2 GLY 111 2HA GLY 111 8.550 11.095 14.425 865 HA3 GLY 111 3HA GLY 111 8.859 12.794 14.084 866 H SER 112 H SER 112 8.759 11.796 16.642 867 HA SER 112 HA SER 112 6.252 12.290 17.957 868 HB2 SER 112 2HB SER 112 7.902 10.713 18.916 869 HB3 SER 112 3HB SER 112 9.085 12.012 19.066 870 HG SER 112 HG SER 112 6.593 11.814 20.414 871 H LEU 113 H LEU 113 5.531 14.160 18.823 872 HA LEU 113 HA LEU 113 6.801 16.671 18.124 873 HB2 LEU 113 2HB LEU 113 4.234 16.131 19.695 874 HB3 LEU 113 3HB LEU 113 4.783 17.716 19.185 875 HG LEU 113 HG LEU 113 3.056 17.092 17.664 876 HD11 LEU 113 1HD1 LEU 113 4.991 18.164 16.599 877 HD12 LEU 113 2HD1 LEU 113 4.142 17.090 15.493 878 HD13 LEU 113 3HD1 LEU 113 5.667 16.576 16.218 879 HD21 LEU 113 1HD2 LEU 113 4.454 14.430 17.216 880 HD22 LEU 113 2HD2 LEU 113 3.022 14.996 16.350 881 HD23 LEU 113 3HD2 LEU 113 2.937 14.686 18.083 882 H GLU 114 H GLU 114 6.490 14.652 20.902 883 HA GLU 114 HA GLU 114 7.392 16.567 22.895 884 HB2 GLU 114 2HB GLU 114 7.122 13.526 23.069 885 HB3 GLU 114 3HB GLU 114 7.341 14.624 24.430 886 HG2 GLU 114 2HG GLU 114 5.146 15.579 24.100 887 HG3 GLU 114 3HG GLU 114 4.923 14.677 22.599 888 H HIS 115 H HIS 115 9.319 16.013 24.245 889 HA HIS 115 HA HIS 115 11.514 14.609 22.849 890 HB2 HIS 115 2HB HIS 115 11.704 17.374 24.155 891 HB3 HIS 115 3HB HIS 115 13.103 16.408 23.697 892 HD1 HIS 115 HD1 HIS 115 13.540 16.080 21.112 893 HD2 HIS 115 HD2 HIS 115 10.473 18.742 22.026 894 HE1 HIS 115 HE1 HIS 115 13.094 17.349 18.998 895 HE2 HIS 115 HE2 HIS 115 11.345 19.049 19.618 896 H HIS 116 H HIS 116 12.418 13.133 24.136 897 HA HIS 116 HA HIS 116 12.240 13.322 27.078 898 HB2 HIS 116 2HB HIS 116 11.428 10.957 27.177 899 HB3 HIS 116 3HB HIS 116 10.268 12.045 26.434 900 HD1 HIS 116 HD1 HIS 116 9.320 11.311 24.243 901 HD2 HIS 116 HD2 HIS 116 12.858 9.312 25.135 902 HE1 HIS 116 HE1 HIS 116 9.619 9.603 22.421 903 HE2 HIS 116 HE2 HIS 116 11.633 8.271 23.125 904 H HIS 117 H HIS 117 14.261 13.110 24.595 905 HA HIS 117 HA HIS 117 15.884 10.817 25.180 906 HB2 HIS 117 2HB HIS 117 15.814 11.865 22.937 907 HB3 HIS 117 3HB HIS 117 16.533 13.336 23.581 908 HD1 HIS 117 HD1 HIS 117 17.392 9.717 22.846 909 HD2 HIS 117 HD2 HIS 117 19.311 13.326 23.625 910 HE1 HIS 117 HE1 HIS 117 19.831 9.300 22.416 911 HE2 HIS 117 HE2 HIS 117 20.981 11.430 23.089 912 H HIS 118 H HIS 118 15.667 13.987 26.480 913 HA HIS 118 HA HIS 118 18.015 13.528 28.241 914 HB2 HIS 118 2HB HIS 118 18.191 15.564 26.761 915 HB3 HIS 118 3HB HIS 118 16.701 16.181 27.464 916 HD1 HIS 118 HD1 HIS 118 20.352 15.927 28.042 917 HD2 HIS 118 HD2 HIS 118 16.986 17.145 30.163 918 HE1 HIS 118 HE1 HIS 118 21.220 17.197 30.021 919 HE2 HIS 118 HE2 HIS 118 19.162 18.083 31.173 920 H HIS 119 H HIS 119 17.564 13.397 30.397 921 HA HIS 119 HA HIS 119 14.901 13.194 31.370 922 HB2 HIS 119 2HB HIS 119 16.835 11.962 32.395 923 HB3 HIS 119 3HB HIS 119 17.475 13.489 33.001 924 HD1 HIS 119 HD1 HIS 119 15.982 14.711 34.887 925 HD2 HIS 119 HD2 HIS 119 14.892 10.794 33.985 926 HE1 HIS 119 HE1 HIS 119 14.445 13.982 36.744 927 HE2 HIS 119 HE2 HIS 119 13.766 11.641 36.140 928 H HIS 120 H HIS 120 13.717 15.062 31.179 929 HA HIS 120 HA HIS 120 14.721 17.578 32.347 930 HB2 HIS 120 2HB HIS 120 12.694 18.587 31.170 931 HB3 HIS 120 3HB HIS 120 13.908 17.897 30.104 932 HD1 HIS 120 HD1 HIS 120 10.439 17.208 31.438 933 HD2 HIS 120 HD2 HIS 120 12.969 15.926 28.401 934 HE1 HIS 120 HE1 HIS 120 9.034 15.739 29.962 935 HE2 HIS 120 HE2 HIS 120 10.523 15.222 28.003 Start of MODEL 16 1 H1 MET 1 1H MET 1 2.813 -15.389 -5.234 2 H2 MET 1 2H MET 1 2.946 -17.051 -4.994 3 H3 MET 1 3H MET 1 2.407 -16.462 -6.479 4 HA MET 1 HA MET 1 4.673 -17.231 -6.593 5 HB2 MET 1 2HB MET 1 5.642 -15.183 -7.643 6 HB3 MET 1 3HB MET 1 3.984 -15.483 -8.133 7 HG2 MET 1 2HG MET 1 3.225 -13.743 -6.508 8 HG3 MET 1 3HG MET 1 4.923 -13.386 -6.159 9 HE1 MET 1 1HE MET 1 4.520 -10.742 -6.897 10 HE2 MET 1 2HE MET 1 2.824 -11.177 -7.122 11 HE3 MET 1 3HE MET 1 3.696 -10.327 -8.398 12 H GLN 2 H GLN 2 6.833 -17.087 -5.929 13 HA GLN 2 HA GLN 2 7.241 -16.421 -3.136 14 HB2 GLN 2 2HB GLN 2 9.185 -17.614 -5.166 15 HB3 GLN 2 3HB GLN 2 9.517 -17.419 -3.450 16 HG2 GLN 2 2HG GLN 2 8.971 -19.701 -3.749 17 HG3 GLN 2 3HG GLN 2 7.561 -18.974 -2.992 18 HE21 GLN 2 1HE2 GLN 2 8.858 -20.273 -5.971 19 HE22 GLN 2 2HE2 GLN 2 7.339 -20.561 -6.743 20 H ASP 3 H ASP 3 7.458 -14.685 -5.952 21 HA ASP 3 HA ASP 3 9.827 -13.106 -5.436 22 HB2 ASP 3 2HB ASP 3 7.567 -12.624 -7.445 23 HB3 ASP 3 3HB ASP 3 9.164 -11.879 -7.461 24 H ILE 4 H ILE 4 9.125 -12.581 -3.243 25 HA ILE 4 HA ILE 4 6.744 -11.066 -2.710 26 HB ILE 4 HB ILE 4 9.111 -11.669 -0.879 27 HG12 ILE 4 2HG1 ILE 4 7.990 -13.735 -1.692 28 HG13 ILE 4 3HG1 ILE 4 7.712 -13.506 0.029 29 HG21 ILE 4 1HG2 ILE 4 6.315 -10.742 -0.103 30 HG22 ILE 4 2HG2 ILE 4 7.769 -9.748 -0.059 31 HG23 ILE 4 3HG2 ILE 4 7.631 -11.144 1.005 32 HD11 ILE 4 1HD1 ILE 4 5.738 -12.929 -2.185 33 HD12 ILE 4 2HD1 ILE 4 5.447 -12.676 -0.458 34 HD13 ILE 4 3HD1 ILE 4 5.724 -14.303 -1.081 35 H VAL 5 H VAL 5 10.034 -10.211 -3.532 36 HA VAL 5 HA VAL 5 10.202 -7.584 -2.495 37 HB VAL 5 HB VAL 5 11.415 -8.486 -5.155 38 HG11 VAL 5 1HG1 VAL 5 11.588 -6.074 -4.740 39 HG12 VAL 5 2HG1 VAL 5 13.181 -6.829 -4.657 40 HG13 VAL 5 3HG1 VAL 5 12.342 -6.376 -3.170 41 HG21 VAL 5 1HG2 VAL 5 12.607 -8.898 -2.386 42 HG22 VAL 5 2HG2 VAL 5 13.412 -9.244 -3.918 43 HG23 VAL 5 3HG2 VAL 5 11.983 -10.164 -3.445 44 H GLU 6 H GLU 6 9.288 -8.723 -5.755 45 HA GLU 6 HA GLU 6 8.298 -6.202 -6.665 46 HB2 GLU 6 2HB GLU 6 8.088 -9.017 -7.779 47 HB3 GLU 6 3HB GLU 6 7.402 -7.623 -8.596 48 HG2 GLU 6 2HG GLU 6 10.327 -8.106 -7.978 49 HG3 GLU 6 3HG GLU 6 9.559 -8.184 -9.559 50 H ALA 7 H ALA 7 6.836 -9.028 -5.179 51 HA ALA 7 HA ALA 7 4.138 -8.519 -5.794 52 HB1 ALA 7 1HB ALA 7 3.619 -10.059 -3.957 53 HB2 ALA 7 2HB ALA 7 5.285 -9.947 -3.375 54 HB3 ALA 7 3HB ALA 7 4.946 -10.678 -4.946 55 H ALA 8 H ALA 8 6.051 -7.724 -2.901 56 HA ALA 8 HA ALA 8 4.018 -6.257 -1.556 57 HB1 ALA 8 1HB ALA 8 5.825 -5.628 -0.011 58 HB2 ALA 8 2HB ALA 8 7.022 -6.282 -1.135 59 HB3 ALA 8 3HB ALA 8 5.847 -7.354 -0.369 60 H LYS 9 H LYS 9 6.544 -5.369 -3.844 61 HA LYS 9 HA LYS 9 6.528 -2.562 -3.539 62 HB2 LYS 9 2HB LYS 9 8.284 -3.754 -4.781 63 HB3 LYS 9 3HB LYS 9 7.112 -4.285 -5.983 64 HG2 LYS 9 2HG LYS 9 6.763 -1.916 -6.663 65 HG3 LYS 9 3HG LYS 9 7.985 -1.414 -5.486 66 HD2 LYS 9 2HD LYS 9 9.686 -2.790 -6.696 67 HD3 LYS 9 3HD LYS 9 8.458 -3.251 -7.879 68 HE2 LYS 9 2HE LYS 9 8.226 -0.909 -8.575 69 HE3 LYS 9 3HE LYS 9 9.398 -0.411 -7.354 70 HZ1 LYS 9 1HZ LYS 9 10.409 -0.583 -9.538 71 HZ2 LYS 9 2HZ LYS 9 9.958 -2.207 -9.652 72 HZ3 LYS 9 3HZ LYS 9 11.078 -1.727 -8.485 73 H GLN 10 H GLN 10 4.869 -4.613 -5.949 74 HA GLN 10 HA GLN 10 3.227 -2.627 -7.097 75 HB2 GLN 10 2HB GLN 10 3.015 -5.661 -7.014 76 HB3 GLN 10 3HB GLN 10 1.870 -4.671 -7.911 77 HG2 GLN 10 2HG GLN 10 4.860 -4.792 -8.406 78 HG3 GLN 10 3HG GLN 10 3.623 -5.606 -9.364 79 HE21 GLN 10 1HE2 GLN 10 2.198 -4.337 -10.626 80 HE22 GLN 10 2HE2 GLN 10 2.593 -2.726 -11.094 81 H ALA 11 H ALA 11 2.836 -4.717 -4.318 82 HA ALA 11 HA ALA 11 0.060 -4.418 -3.879 83 HB1 ALA 11 1HB ALA 11 2.259 -5.061 -1.886 84 HB2 ALA 11 2HB ALA 11 1.387 -6.230 -2.880 85 HB3 ALA 11 3HB ALA 11 0.523 -5.313 -1.645 86 H ALA 12 H ALA 12 2.912 -2.659 -2.644 87 HA ALA 12 HA ALA 12 1.628 -0.982 -0.798 88 HB1 ALA 12 1HB ALA 12 4.063 -1.287 -0.870 89 HB2 ALA 12 2HB ALA 12 3.638 0.425 -0.943 90 HB3 ALA 12 3HB ALA 12 4.139 -0.428 -2.409 91 H ILE 13 H ILE 13 2.430 -0.486 -4.213 92 HA ILE 13 HA ILE 13 1.386 2.107 -4.561 93 HB ILE 13 HB ILE 13 1.640 -0.141 -6.622 94 HG12 ILE 13 2HG1 ILE 13 3.630 2.087 -5.959 95 HG13 ILE 13 3HG1 ILE 13 3.789 0.414 -5.441 96 HG21 ILE 13 1HG2 ILE 13 1.398 2.857 -7.080 97 HG22 ILE 13 2HG2 ILE 13 0.163 1.651 -7.445 98 HG23 ILE 13 3HG2 ILE 13 1.687 1.650 -8.335 99 HD11 ILE 13 1HD1 ILE 13 3.846 1.394 -8.295 100 HD12 ILE 13 2HD1 ILE 13 3.974 -0.291 -7.779 101 HD13 ILE 13 3HD1 ILE 13 5.222 0.868 -7.324 102 H ALA 14 H ALA 14 -0.064 -1.132 -4.987 103 HA ALA 14 HA ALA 14 -2.575 -0.350 -6.023 104 HB1 ALA 14 1HB ALA 14 -1.681 -2.627 -6.249 105 HB2 ALA 14 2HB ALA 14 -3.289 -2.645 -5.519 106 HB3 ALA 14 3HB ALA 14 -1.856 -2.883 -4.511 107 H ILE 15 H ILE 15 -1.407 -0.659 -2.714 108 HA ILE 15 HA ILE 15 -3.874 -0.497 -1.336 109 HB ILE 15 HB ILE 15 -1.018 0.194 -0.521 110 HG12 ILE 15 2HG1 ILE 15 -2.889 -2.063 0.338 111 HG13 ILE 15 3HG1 ILE 15 -1.588 -2.214 -0.833 112 HG21 ILE 15 1HG2 ILE 15 -3.438 0.325 1.307 113 HG22 ILE 15 2HG2 ILE 15 -2.446 1.693 0.801 114 HG23 ILE 15 3HG2 ILE 15 -1.756 0.435 1.828 115 HD11 ILE 15 1HD1 ILE 15 -0.935 -3.154 1.279 116 HD12 ILE 15 2HD1 ILE 15 -1.279 -1.639 2.112 117 HD13 ILE 15 3HD1 ILE 15 0.043 -1.728 0.943 118 H PHE 16 H PHE 16 -1.623 2.008 -2.536 119 HA PHE 16 HA PHE 16 -3.179 4.241 -1.617 120 HB2 PHE 16 2HB PHE 16 -1.045 4.118 -3.789 121 HB3 PHE 16 3HB PHE 16 -1.741 5.604 -3.147 122 HD1 PHE 16 HD1 PHE 16 -1.718 5.594 -0.382 123 HD2 PHE 16 HD2 PHE 16 1.075 3.630 -2.968 124 HE1 PHE 16 HE1 PHE 16 -0.014 5.663 1.392 125 HE2 PHE 16 HE2 PHE 16 2.753 3.700 -1.193 126 HZ PHE 16 HZ PHE 16 2.226 4.722 0.980 127 H GLN 17 H GLN 17 -3.077 2.339 -4.594 128 HA GLN 17 HA GLN 17 -4.613 4.002 -6.276 129 HB2 GLN 17 2HB GLN 17 -4.371 0.963 -6.306 130 HB3 GLN 17 3HB GLN 17 -5.058 1.924 -7.610 131 HG2 GLN 17 2HG GLN 17 -2.196 2.204 -6.656 132 HG3 GLN 17 3HG GLN 17 -2.685 1.136 -7.963 133 HE21 GLN 17 1HE2 GLN 17 -1.263 2.275 -9.339 134 HE22 GLN 17 2HE2 GLN 17 -1.700 3.800 -10.008 135 H LEU 18 H LEU 18 -5.522 1.494 -3.934 136 HA LEU 18 HA LEU 18 -8.355 1.776 -4.353 137 HB2 LEU 18 2HB LEU 18 -6.768 0.472 -2.123 138 HB3 LEU 18 3HB LEU 18 -8.525 0.479 -2.174 139 HG LEU 18 HG LEU 18 -6.689 -0.854 -4.204 140 HD11 LEU 18 1HD1 LEU 18 -6.770 -2.033 -2.060 141 HD12 LEU 18 2HD1 LEU 18 -7.567 -2.953 -3.331 142 HD13 LEU 18 3HD1 LEU 18 -8.535 -2.084 -2.138 143 HD21 LEU 18 1HD2 LEU 18 -9.727 -0.802 -4.123 144 HD22 LEU 18 2HD2 LEU 18 -8.734 -1.768 -5.219 145 HD23 LEU 18 3HD2 LEU 18 -8.695 -0.011 -5.322 146 H TRP 19 H TRP 19 -6.021 3.038 -1.944 147 HA TRP 19 HA TRP 19 -7.811 4.178 -0.143 148 HB2 TRP 19 2HB TRP 19 -4.921 4.743 -0.788 149 HB3 TRP 19 3HB TRP 19 -5.767 5.851 0.281 150 HD1 TRP 19 HD1 TRP 19 -7.084 2.493 1.034 151 HE1 TRP 19 HE1 TRP 19 -5.915 1.503 3.096 152 HE3 TRP 19 HE3 TRP 19 -3.159 5.759 1.394 153 HZ2 TRP 19 HZ2 TRP 19 -3.645 2.037 4.682 154 HZ3 TRP 19 HZ3 TRP 19 -1.536 5.457 3.223 155 HH2 TRP 19 HH2 TRP 19 -1.774 3.635 4.836 156 H LYS 20 H LYS 20 -6.708 5.497 -3.219 157 HA LYS 20 HA LYS 20 -8.306 7.950 -2.797 158 HB2 LYS 20 2HB LYS 20 -7.164 8.868 -4.755 159 HB3 LYS 20 3HB LYS 20 -5.997 8.281 -3.572 160 HG2 LYS 20 2HG LYS 20 -5.791 6.163 -4.933 161 HG3 LYS 20 3HG LYS 20 -6.797 6.930 -6.169 162 HD2 LYS 20 2HD LYS 20 -5.123 8.710 -6.474 163 HD3 LYS 20 3HD LYS 20 -4.137 8.044 -5.164 164 HE2 LYS 20 2HE LYS 20 -3.821 5.970 -6.480 165 HE3 LYS 20 3HE LYS 20 -4.775 6.666 -7.789 166 HZ1 LYS 20 1HZ LYS 20 -3.123 8.423 -7.984 167 HZ2 LYS 20 2HZ LYS 20 -2.440 6.902 -8.233 168 HZ3 LYS 20 3HZ LYS 20 -2.193 7.712 -6.770 169 H ASN 21 H ASN 21 -8.464 4.904 -4.406 170 HA ASN 21 HA ASN 21 -11.007 5.581 -5.683 171 HB2 ASN 21 2HB ASN 21 -9.253 6.148 -7.413 172 HB3 ASN 21 3HB ASN 21 -8.678 4.488 -7.345 173 HD21 ASN 21 1HD2 ASN 21 -10.067 2.823 -8.175 174 HD22 ASN 21 2HD2 ASN 21 -11.320 3.184 -9.305 175 HA PRO 22 HA PRO 22 -10.771 1.385 -3.584 176 HB2 PRO 22 2HB PRO 22 -13.359 1.422 -2.588 177 HB3 PRO 22 3HB PRO 22 -11.993 2.202 -1.771 178 HG2 PRO 22 2HG PRO 22 -14.068 3.448 -3.551 179 HG3 PRO 22 3HG PRO 22 -13.428 4.026 -1.995 180 HD2 PRO 22 2HD PRO 22 -12.543 5.043 -4.343 181 HD3 PRO 22 3HD PRO 22 -11.458 4.847 -2.948 182 H THR 23 H THR 23 -12.637 2.677 -6.096 183 HA THR 23 HA THR 23 -14.244 0.380 -6.745 184 HB THR 23 HB THR 23 -14.770 1.800 -8.802 185 HG1 THR 23 HG1 THR 23 -13.984 3.972 -8.699 186 HG21 THR 23 1HG2 THR 23 -16.049 3.523 -7.577 187 HG22 THR 23 2HG2 THR 23 -15.138 3.166 -6.107 188 HG23 THR 23 3HG2 THR 23 -16.211 1.947 -6.802 189 H ASP 24 H ASP 24 -10.950 0.895 -7.125 190 HA ASP 24 HA ASP 24 -10.598 0.067 -9.864 191 HB2 ASP 24 2HB ASP 24 -8.948 1.505 -8.503 192 HB3 ASP 24 3HB ASP 24 -8.445 0.025 -7.699 193 HA PRO 25 HA PRO 25 -11.381 -4.259 -8.591 194 HB2 PRO 25 2HB PRO 25 -11.487 -5.357 -11.116 195 HB3 PRO 25 3HB PRO 25 -12.823 -4.418 -10.415 196 HG2 PRO 25 2HG PRO 25 -10.692 -3.504 -12.329 197 HG3 PRO 25 3HG PRO 25 -12.447 -3.209 -12.377 198 HD2 PRO 25 2HD PRO 25 -10.729 -1.341 -11.436 199 HD3 PRO 25 3HD PRO 25 -12.354 -1.544 -10.746 200 H GLU 26 H GLU 26 -8.744 -3.198 -10.702 201 HA GLU 26 HA GLU 26 -7.411 -5.765 -10.792 202 HB2 GLU 26 2HB GLU 26 -6.492 -3.013 -11.723 203 HB3 GLU 26 3HB GLU 26 -5.613 -4.512 -12.017 204 HG2 GLU 26 2HG GLU 26 -7.522 -5.377 -13.334 205 HG3 GLU 26 3HG GLU 26 -8.401 -3.875 -13.045 206 H ALA 27 H ALA 27 -7.071 -2.785 -8.929 207 HA ALA 27 HA ALA 27 -4.511 -3.306 -7.794 208 HB1 ALA 27 1HB ALA 27 -5.469 -1.036 -7.887 209 HB2 ALA 27 2HB ALA 27 -5.065 -1.479 -6.227 210 HB3 ALA 27 3HB ALA 27 -6.747 -1.514 -6.767 211 H GLN 28 H GLN 28 -7.841 -3.795 -6.626 212 HA GLN 28 HA GLN 28 -7.067 -5.091 -4.179 213 HB2 GLN 28 2HB GLN 28 -9.503 -5.556 -3.919 214 HB3 GLN 28 3HB GLN 28 -9.143 -3.864 -4.243 215 HG2 GLN 28 2HG GLN 28 -9.749 -4.259 -6.649 216 HG3 GLN 28 3HG GLN 28 -10.272 -5.881 -6.202 217 HE21 GLN 28 1HE2 GLN 28 -10.971 -2.457 -5.907 218 HE22 GLN 28 2HE2 GLN 28 -12.596 -2.642 -5.347 219 H GLU 29 H GLU 29 -7.568 -6.164 -7.439 220 HA GLU 29 HA GLU 29 -8.022 -8.941 -6.974 221 HB2 GLU 29 2HB GLU 29 -8.503 -7.985 -9.168 222 HB3 GLU 29 3HB GLU 29 -6.831 -7.463 -9.364 223 HG2 GLU 29 2HG GLU 29 -6.213 -9.971 -9.280 224 HG3 GLU 29 3HG GLU 29 -7.938 -10.285 -9.453 225 H LEU 30 H LEU 30 -5.018 -7.088 -7.748 226 HA LEU 30 HA LEU 30 -3.337 -9.374 -7.639 227 HB2 LEU 30 2HB LEU 30 -1.462 -7.883 -7.843 228 HB3 LEU 30 3HB LEU 30 -2.744 -7.353 -8.901 229 HG LEU 30 HG LEU 30 -3.222 -5.666 -6.808 230 HD11 LEU 30 1HD1 LEU 30 -1.386 -6.512 -5.414 231 HD12 LEU 30 2HD1 LEU 30 -1.136 -4.824 -5.852 232 HD13 LEU 30 3HD1 LEU 30 -0.219 -6.088 -6.674 233 HD21 LEU 30 1HD2 LEU 30 -1.985 -3.922 -8.010 234 HD22 LEU 30 2HD2 LEU 30 -2.896 -4.941 -9.121 235 HD23 LEU 30 3HD2 LEU 30 -1.150 -5.152 -8.967 236 H LEU 31 H LEU 31 -4.270 -6.939 -5.234 237 HA LEU 31 HA LEU 31 -2.742 -7.844 -3.038 238 HB2 LEU 31 2HB LEU 31 -5.447 -6.454 -3.146 239 HB3 LEU 31 3HB LEU 31 -4.621 -6.795 -1.633 240 HG LEU 31 HG LEU 31 -3.561 -4.983 -3.841 241 HD11 LEU 31 1HD1 LEU 31 -4.688 -4.252 -1.121 242 HD12 LEU 31 2HD1 LEU 31 -5.476 -3.988 -2.680 243 HD13 LEU 31 3HD1 LEU 31 -3.983 -3.134 -2.296 244 HD21 LEU 31 1HD2 LEU 31 -1.812 -4.355 -2.226 245 HD22 LEU 31 2HD2 LEU 31 -1.726 -6.062 -2.651 246 HD23 LEU 31 3HD2 LEU 31 -2.410 -5.575 -1.096 247 H ASN 32 H ASN 32 -5.676 -9.122 -4.477 248 HA ASN 32 HA ASN 32 -6.451 -10.816 -2.288 249 HB2 ASN 32 2HB ASN 32 -7.980 -9.969 -4.137 250 HB3 ASN 32 3HB ASN 32 -7.206 -11.104 -5.233 251 HD21 ASN 32 1HD2 ASN 32 -9.390 -10.731 -2.563 252 HD22 ASN 32 2HD2 ASN 32 -10.014 -12.342 -2.582 253 H LYS 33 H LYS 33 -4.116 -11.054 -4.796 254 HA LYS 33 HA LYS 33 -3.975 -13.989 -4.776 255 HB2 LYS 33 2HB LYS 33 -2.646 -11.923 -6.581 256 HB3 LYS 33 3HB LYS 33 -2.531 -13.672 -6.785 257 HG2 LYS 33 2HG LYS 33 -4.898 -13.850 -7.264 258 HG3 LYS 33 3HG LYS 33 -5.163 -12.159 -6.837 259 HD2 LYS 33 2HD LYS 33 -5.185 -12.410 -9.264 260 HD3 LYS 33 3HD LYS 33 -3.781 -11.459 -8.777 261 HE2 LYS 33 2HE LYS 33 -2.340 -13.444 -9.044 262 HE3 LYS 33 3HE LYS 33 -3.750 -14.413 -9.484 263 HZ1 LYS 33 1HZ LYS 33 -2.486 -13.657 -11.421 264 HZ2 LYS 33 2HZ LYS 33 -2.781 -12.047 -10.999 265 HZ3 LYS 33 3HZ LYS 33 -4.064 -13.055 -11.428 266 H ILE 34 H ILE 34 -2.179 -11.194 -3.597 267 HA ILE 34 HA ILE 34 0.096 -12.982 -2.823 268 HB ILE 34 HB ILE 34 1.621 -11.006 -3.006 269 HG12 ILE 34 2HG1 ILE 34 -0.885 -9.622 -4.056 270 HG13 ILE 34 3HG1 ILE 34 0.132 -9.129 -2.721 271 HG21 ILE 34 1HG2 ILE 34 1.778 -10.994 -5.467 272 HG22 ILE 34 2HG2 ILE 34 0.152 -11.669 -5.589 273 HG23 ILE 34 3HG2 ILE 34 1.451 -12.622 -4.866 274 HD11 ILE 34 1HD1 ILE 34 0.872 -9.026 -5.641 275 HD12 ILE 34 2HD1 ILE 34 1.910 -8.555 -4.293 276 HD13 ILE 34 3HD1 ILE 34 0.423 -7.667 -4.608 277 H LEU 35 H LEU 35 -2.104 -10.475 -1.725 278 HA LEU 35 HA LEU 35 -0.947 -10.554 1.008 279 HB2 LEU 35 2HB LEU 35 -2.703 -8.563 -0.446 280 HB3 LEU 35 3HB LEU 35 -2.878 -8.688 1.292 281 HG LEU 35 HG LEU 35 -1.397 -6.831 0.625 282 HD11 LEU 35 1HD1 LEU 35 -1.096 -7.835 2.824 283 HD12 LEU 35 2HD1 LEU 35 0.439 -7.280 2.173 284 HD13 LEU 35 3HD1 LEU 35 0.052 -9.002 2.165 285 HD21 LEU 35 1HD2 LEU 35 0.833 -7.223 -0.295 286 HD22 LEU 35 2HD2 LEU 35 -0.413 -7.791 -1.404 287 HD23 LEU 35 3HD2 LEU 35 0.493 -8.953 -0.432 288 H SER 36 H SER 36 -2.636 -10.453 2.753 289 HA SER 36 HA SER 36 -4.457 -12.677 2.577 290 HB2 SER 36 2HB SER 36 -4.030 -10.678 4.846 291 HB3 SER 36 3HB SER 36 -4.830 -12.248 4.969 292 HG SER 36 HG SER 36 -2.199 -12.105 3.983 293 HA PRO 37 HA PRO 37 -8.301 -10.519 1.390 294 HB2 PRO 37 2HB PRO 37 -9.420 -12.289 3.587 295 HB3 PRO 37 3HB PRO 37 -10.068 -11.960 1.960 296 HG2 PRO 37 2HG PRO 37 -8.782 -14.228 2.375 297 HG3 PRO 37 3HG PRO 37 -8.469 -13.300 0.890 298 HD2 PRO 37 2HD PRO 37 -6.748 -13.552 3.346 299 HD3 PRO 37 3HD PRO 37 -6.272 -13.442 1.635 300 H ASP 38 H ASP 38 -7.389 -10.780 4.823 301 HA ASP 38 HA ASP 38 -9.123 -8.775 5.849 302 HB2 ASP 38 2HB ASP 38 -6.443 -9.760 6.928 303 HB3 ASP 38 3HB ASP 38 -7.538 -8.704 7.817 304 H VAL 39 H VAL 39 -5.910 -8.636 4.397 305 HA VAL 39 HA VAL 39 -5.189 -6.005 5.200 306 HB VAL 39 HB VAL 39 -4.152 -7.650 2.847 307 HG11 VAL 39 1HG1 VAL 39 -3.638 -5.265 2.533 308 HG12 VAL 39 2HG1 VAL 39 -2.166 -6.153 2.919 309 HG13 VAL 39 3HG1 VAL 39 -2.953 -5.176 4.157 310 HG21 VAL 39 1HG2 VAL 39 -3.019 -7.346 5.655 311 HG22 VAL 39 2HG2 VAL 39 -2.282 -8.261 4.338 312 HG23 VAL 39 3HG2 VAL 39 -3.825 -8.782 5.017 313 H LEU 40 H LEU 40 -6.264 -7.272 2.010 314 HA LEU 40 HA LEU 40 -6.462 -4.788 0.715 315 HB2 LEU 40 2HB LEU 40 -7.828 -5.973 -0.980 316 HB3 LEU 40 3HB LEU 40 -6.371 -6.837 -0.541 317 HG LEU 40 HG LEU 40 -7.977 -8.214 1.063 318 HD11 LEU 40 1HD1 LEU 40 -10.007 -6.907 0.771 319 HD12 LEU 40 2HD1 LEU 40 -10.244 -8.556 0.208 320 HD13 LEU 40 3HD1 LEU 40 -10.016 -7.249 -0.959 321 HD21 LEU 40 1HD2 LEU 40 -7.998 -8.662 -1.921 322 HD22 LEU 40 2HD2 LEU 40 -8.366 -9.863 -0.677 323 HD23 LEU 40 3HD2 LEU 40 -6.746 -9.181 -0.789 324 H ASP 41 H ASP 41 -8.595 -6.395 2.895 325 HA ASP 41 HA ASP 41 -11.026 -5.082 2.268 326 HB2 ASP 41 2HB ASP 41 -10.987 -7.264 3.404 327 HB3 ASP 41 3HB ASP 41 -10.166 -6.560 4.796 328 H GLN 42 H GLN 42 -8.738 -4.656 5.047 329 HA GLN 42 HA GLN 42 -9.969 -2.341 6.076 330 HB2 GLN 42 2HB GLN 42 -7.829 -1.970 7.340 331 HB3 GLN 42 3HB GLN 42 -8.508 -3.575 7.515 332 HG2 GLN 42 2HG GLN 42 -6.335 -4.196 7.243 333 HG3 GLN 42 3HG GLN 42 -6.764 -4.113 5.544 334 HE21 GLN 42 1HE2 GLN 42 -4.153 -3.893 6.740 335 HE22 GLN 42 2HE2 GLN 42 -3.513 -2.357 6.279 336 H VAL 43 H VAL 43 -7.761 -2.742 3.428 337 HA VAL 43 HA VAL 43 -6.958 -0.024 3.120 338 HB VAL 43 HB VAL 43 -6.956 -2.374 1.176 339 HG11 VAL 43 1HG1 VAL 43 -5.475 -1.051 -0.289 340 HG12 VAL 43 2HG1 VAL 43 -5.686 0.354 0.758 341 HG13 VAL 43 3HG1 VAL 43 -7.063 -0.294 -0.137 342 HG21 VAL 43 1HG2 VAL 43 -5.410 -2.591 3.099 343 HG22 VAL 43 2HG2 VAL 43 -4.672 -1.043 2.689 344 HG23 VAL 43 3HG2 VAL 43 -4.518 -2.412 1.584 345 H ARG 44 H ARG 44 -9.486 -1.982 1.393 346 HA ARG 44 HA ARG 44 -10.456 0.217 -0.147 347 HB2 ARG 44 2HB ARG 44 -12.464 -1.235 -0.640 348 HB3 ARG 44 3HB ARG 44 -10.910 -1.947 -1.049 349 HG2 ARG 44 2HG ARG 44 -11.043 -3.576 0.592 350 HG3 ARG 44 3HG ARG 44 -12.085 -2.617 1.635 351 HD2 ARG 44 2HD ARG 44 -13.156 -3.642 -0.993 352 HD3 ARG 44 3HD ARG 44 -13.040 -4.731 0.395 353 HE ARG 44 HE ARG 44 -14.300 -2.403 1.273 354 HH11 ARG 44 1HH1 ARG 44 -15.051 -5.027 -0.974 355 HH12 ARG 44 2HH1 ARG 44 -16.764 -4.881 -0.731 356 HH21 ARG 44 1HH2 ARG 44 -16.511 -2.323 1.658 357 HH22 ARG 44 2HH2 ARG 44 -17.588 -3.356 0.759 358 H GLU 45 H GLU 45 -11.119 -0.784 3.106 359 HA GLU 45 HA GLU 45 -13.594 0.705 3.369 360 HB2 GLU 45 2HB GLU 45 -11.796 -0.619 5.437 361 HB3 GLU 45 3HB GLU 45 -13.341 0.139 5.811 362 HG2 GLU 45 2HG GLU 45 -12.949 -2.242 3.967 363 HG3 GLU 45 3HG GLU 45 -13.508 -2.321 5.633 364 H HIS 46 H HIS 46 -10.206 1.126 4.440 365 HA HIS 46 HA HIS 46 -10.465 3.701 5.601 366 HB2 HIS 46 2HB HIS 46 -8.514 2.225 5.987 367 HB3 HIS 46 3HB HIS 46 -8.017 2.414 4.311 368 HD1 HIS 46 HD1 HIS 46 -6.409 4.264 3.859 369 HD2 HIS 46 HD2 HIS 46 -8.365 4.787 7.484 370 HE1 HIS 46 HE1 HIS 46 -5.264 6.203 4.970 371 HE2 HIS 46 HE2 HIS 46 -6.540 6.561 7.100 372 H ALA 47 H ALA 47 -10.208 2.607 2.354 373 HA ALA 47 HA ALA 47 -9.366 4.855 0.936 374 HB1 ALA 47 1HB ALA 47 -11.267 2.649 0.112 375 HB2 ALA 47 2HB ALA 47 -9.505 2.596 0.012 376 HB3 ALA 47 3HB ALA 47 -10.408 3.741 -0.981 377 H ARG 48 H ARG 48 -12.605 3.842 1.979 378 HA ARG 48 HA ARG 48 -14.094 5.782 0.542 379 HB2 ARG 48 2HB ARG 48 -14.831 4.256 3.078 380 HB3 ARG 48 3HB ARG 48 -15.965 5.155 2.072 381 HG2 ARG 48 2HG ARG 48 -15.511 3.637 0.186 382 HG3 ARG 48 3HG ARG 48 -14.366 2.734 1.182 383 HD2 ARG 48 2HD ARG 48 -16.136 2.013 2.672 384 HD3 ARG 48 3HD ARG 48 -17.314 3.057 1.866 385 HE ARG 48 HE ARG 48 -16.378 1.445 -0.111 386 HH11 ARG 48 1HH1 ARG 48 -17.855 0.755 2.994 387 HH12 ARG 48 2HH1 ARG 48 -18.568 -0.731 2.454 388 HH21 ARG 48 1HH2 ARG 48 -17.359 -0.455 -0.828 389 HH22 ARG 48 2HH2 ARG 48 -18.287 -1.413 0.284 390 H GLU 49 H GLU 49 -12.427 5.849 3.596 391 HA GLU 49 HA GLU 49 -13.647 8.175 4.733 392 HB2 GLU 49 2HB GLU 49 -10.975 6.833 5.333 393 HB3 GLU 49 3HB GLU 49 -11.726 8.074 6.337 394 HG2 GLU 49 2HG GLU 49 -13.591 6.607 6.856 395 HG3 GLU 49 3HG GLU 49 -13.001 5.388 5.729 396 H LEU 50 H LEU 50 -10.697 7.596 2.824 397 HA LEU 50 HA LEU 50 -9.819 10.351 2.818 398 HB2 LEU 50 2HB LEU 50 -8.945 8.040 1.039 399 HB3 LEU 50 3HB LEU 50 -8.103 9.574 1.219 400 HG LEU 50 HG LEU 50 -8.418 7.430 3.358 401 HD11 LEU 50 1HD1 LEU 50 -5.988 7.180 3.165 402 HD12 LEU 50 2HD1 LEU 50 -5.956 8.371 1.861 403 HD13 LEU 50 3HD1 LEU 50 -6.797 6.834 1.638 404 HD21 LEU 50 1HD2 LEU 50 -6.961 8.831 4.768 405 HD22 LEU 50 2HD2 LEU 50 -8.492 9.626 4.416 406 HD23 LEU 50 3HD2 LEU 50 -7.025 10.121 3.564 407 H GLN 51 H GLN 51 -11.814 8.326 0.825 408 HA GLN 51 HA GLN 51 -11.963 9.964 -1.521 409 HB2 GLN 51 2HB GLN 51 -12.441 7.561 -1.622 410 HB3 GLN 51 3HB GLN 51 -13.756 7.733 -0.466 411 HG2 GLN 51 2HG GLN 51 -15.019 9.075 -2.129 412 HG3 GLN 51 3HG GLN 51 -13.702 8.871 -3.279 413 HE21 GLN 51 1HE2 GLN 51 -14.861 6.322 -1.121 414 HE22 GLN 51 2HE2 GLN 51 -15.517 5.332 -2.373 415 H LYS 52 H LYS 52 -13.831 9.648 1.459 416 HA LYS 52 HA LYS 52 -15.962 11.430 0.890 417 HB2 LYS 52 2HB LYS 52 -16.102 9.914 2.786 418 HB3 LYS 52 3HB LYS 52 -14.648 10.590 3.512 419 HG2 LYS 52 2HG LYS 52 -15.832 12.710 3.950 420 HG3 LYS 52 3HG LYS 52 -17.283 12.076 3.172 421 HD2 LYS 52 2HD LYS 52 -17.535 10.380 4.914 422 HD3 LYS 52 3HD LYS 52 -16.002 10.858 5.651 423 HE2 LYS 52 2HE LYS 52 -17.894 11.770 6.922 424 HE3 LYS 52 3HE LYS 52 -16.955 13.073 6.197 425 HZ1 LYS 52 1HZ LYS 52 -19.524 11.994 5.160 426 HZ2 LYS 52 2HZ LYS 52 -18.622 13.228 4.440 427 HZ3 LYS 52 3HZ LYS 52 -19.311 13.464 5.963 428 H GLN 53 H GLN 53 -12.740 11.875 2.237 429 HA GLN 53 HA GLN 53 -12.982 14.764 2.537 430 HB2 GLN 53 2HB GLN 53 -10.571 12.919 2.879 431 HB3 GLN 53 3HB GLN 53 -10.639 14.617 3.356 432 HG2 GLN 53 2HG GLN 53 -12.360 14.115 5.015 433 HG3 GLN 53 3HG GLN 53 -12.396 12.428 4.509 434 HE21 GLN 53 1HE2 GLN 53 -10.608 11.085 5.016 435 HE22 GLN 53 2HE2 GLN 53 -9.499 11.506 6.274 436 H GLY 54 H GLY 54 -10.907 15.986 1.671 437 HA2 GLY 54 2HA GLY 54 -10.708 15.537 -1.257 438 HA3 GLY 54 3HA GLY 54 -10.472 17.063 -0.414 439 H ILE 55 H ILE 55 -9.139 14.008 0.670 440 HA ILE 55 HA ILE 55 -6.442 15.072 0.634 441 HB ILE 55 HB ILE 55 -7.416 12.322 1.553 442 HG12 ILE 55 2HG1 ILE 55 -6.807 14.837 3.180 443 HG13 ILE 55 3HG1 ILE 55 -8.410 14.183 2.875 444 HG21 ILE 55 1HG2 ILE 55 -4.741 13.704 2.028 445 HG22 ILE 55 2HG2 ILE 55 -5.009 12.307 0.984 446 HG23 ILE 55 3HG2 ILE 55 -5.233 12.158 2.727 447 HD11 ILE 55 1HD1 ILE 55 -7.823 12.176 4.160 448 HD12 ILE 55 2HD1 ILE 55 -7.687 13.656 5.105 449 HD13 ILE 55 3HD1 ILE 55 -6.232 12.867 4.498 450 H HIS 56 H HIS 56 -6.083 15.281 -1.561 451 HA HIS 56 HA HIS 56 -5.895 12.970 -3.333 452 HB2 HIS 56 2HB HIS 56 -4.997 15.880 -3.618 453 HB3 HIS 56 3HB HIS 56 -4.752 14.665 -4.869 454 HD1 HIS 56 HD1 HIS 56 -6.330 15.218 -6.679 455 HD2 HIS 56 HD2 HIS 56 -8.116 15.619 -2.946 456 HE1 HIS 56 HE1 HIS 56 -8.724 15.807 -7.133 457 HE2 HIS 56 HE2 HIS 56 -9.795 15.970 -4.867 458 H PHE 57 H PHE 57 -4.011 11.782 -3.648 459 HA PHE 57 HA PHE 57 -1.415 12.851 -2.831 460 HB2 PHE 57 2HB PHE 57 -0.863 10.688 -1.575 461 HB3 PHE 57 3HB PHE 57 -1.956 11.794 -0.759 462 HD1 PHE 57 HD1 PHE 57 -1.665 8.489 -2.369 463 HD2 PHE 57 HD2 PHE 57 -4.331 11.239 -0.453 464 HE1 PHE 57 HE1 PHE 57 -3.326 6.713 -2.104 465 HE2 PHE 57 HE2 PHE 57 -5.986 9.443 -0.196 466 HZ PHE 57 HZ PHE 57 -5.480 7.192 -1.024 467 H GLU 58 H GLU 58 0.264 12.010 -3.977 468 HA GLU 58 HA GLU 58 -0.296 10.048 -6.126 469 HB2 GLU 58 2HB GLU 58 1.030 12.789 -6.428 470 HB3 GLU 58 3HB GLU 58 0.959 11.573 -7.700 471 HG2 GLU 58 2HG GLU 58 -1.469 11.753 -7.810 472 HG3 GLU 58 3HG GLU 58 -1.487 12.842 -6.427 473 H VAL 59 H VAL 59 1.284 8.566 -6.304 474 HA VAL 59 HA VAL 59 3.575 8.434 -4.653 475 HB VAL 59 HB VAL 59 2.872 6.866 -7.187 476 HG11 VAL 59 1HG1 VAL 59 5.307 6.759 -6.865 477 HG12 VAL 59 2HG1 VAL 59 4.577 5.197 -6.492 478 HG13 VAL 59 3HG1 VAL 59 5.087 6.266 -5.186 479 HG21 VAL 59 1HG2 VAL 59 2.201 5.062 -5.640 480 HG22 VAL 59 2HG2 VAL 59 1.278 6.533 -5.325 481 HG23 VAL 59 3HG2 VAL 59 2.609 6.082 -4.255 482 H LYS 60 H LYS 60 5.048 10.009 -4.821 483 HA LYS 60 HA LYS 60 5.915 11.161 -7.353 484 HB2 LYS 60 2HB LYS 60 6.906 11.685 -4.512 485 HB3 LYS 60 3HB LYS 60 7.305 12.645 -5.935 486 HG2 LYS 60 2HG LYS 60 4.565 12.344 -4.682 487 HG3 LYS 60 3HG LYS 60 5.612 13.757 -4.575 488 HD2 LYS 60 2HD LYS 60 4.400 12.682 -7.157 489 HD3 LYS 60 3HD LYS 60 3.753 14.025 -6.215 490 HE2 LYS 60 2HE LYS 60 5.829 15.307 -6.599 491 HE3 LYS 60 3HE LYS 60 6.487 13.965 -7.542 492 HZ1 LYS 60 1HZ LYS 60 4.077 15.568 -8.214 493 HZ2 LYS 60 2HZ LYS 60 4.638 14.246 -9.103 494 HZ3 LYS 60 3HZ LYS 60 5.580 15.648 -8.987 495 H ARG 61 H ARG 61 7.079 8.903 -4.950 496 HA ARG 61 HA ARG 61 9.343 8.091 -6.595 497 HB2 ARG 61 2HB ARG 61 10.291 10.038 -5.443 498 HB3 ARG 61 3HB ARG 61 9.684 9.484 -3.889 499 HG2 ARG 61 2HG ARG 61 11.276 7.608 -3.915 500 HG3 ARG 61 3HG ARG 61 11.855 8.099 -5.510 501 HD2 ARG 61 2HD ARG 61 12.682 10.226 -4.572 502 HD3 ARG 61 3HD ARG 61 12.047 9.785 -2.982 503 HE ARG 61 HE ARG 61 13.661 7.728 -3.477 504 HH11 ARG 61 1HH1 ARG 61 14.305 11.183 -3.777 505 HH12 ARG 61 2HH1 ARG 61 15.997 11.005 -3.442 506 HH21 ARG 61 1HH2 ARG 61 15.846 7.523 -3.022 507 HH22 ARG 61 2HH2 ARG 61 16.873 8.925 -3.013 508 H VAL 62 H VAL 62 9.474 5.906 -6.363 509 HA VAL 62 HA VAL 62 8.609 4.657 -3.814 510 HB VAL 62 HB VAL 62 6.822 4.266 -5.426 511 HG11 VAL 62 1HG1 VAL 62 7.124 3.056 -7.547 512 HG12 VAL 62 2HG1 VAL 62 8.873 3.056 -7.302 513 HG13 VAL 62 3HG1 VAL 62 8.015 4.581 -7.529 514 HG21 VAL 62 1HG2 VAL 62 7.297 2.424 -3.868 515 HG22 VAL 62 2HG2 VAL 62 8.420 1.705 -5.025 516 HG23 VAL 62 3HG2 VAL 62 6.698 1.797 -5.407 517 H GLU 63 H GLU 63 10.130 3.435 -2.921 518 HA GLU 63 HA GLU 63 12.222 2.085 -4.517 519 HB2 GLU 63 2HB GLU 63 12.694 3.751 -1.998 520 HB3 GLU 63 3HB GLU 63 13.904 2.711 -2.747 521 HG2 GLU 63 2HG GLU 63 13.778 4.108 -4.815 522 HG3 GLU 63 3HG GLU 63 12.638 5.172 -3.991 523 H VAL 64 H VAL 64 12.324 -0.030 -3.954 524 HA VAL 64 HA VAL 64 11.111 -0.913 -1.387 525 HB VAL 64 HB VAL 64 9.820 -1.688 -3.326 526 HG11 VAL 64 1HG1 VAL 64 10.718 -3.208 -5.033 527 HG12 VAL 64 2HG1 VAL 64 12.330 -3.069 -4.328 528 HG13 VAL 64 3HG1 VAL 64 11.562 -1.656 -5.057 529 HG21 VAL 64 1HG2 VAL 64 9.761 -4.106 -2.860 530 HG22 VAL 64 2HG2 VAL 64 9.939 -3.175 -1.370 531 HG23 VAL 64 3HG2 VAL 64 11.336 -3.999 -2.064 532 H THR 65 H THR 65 12.325 -2.072 -0.005 533 HA THR 65 HA THR 65 14.717 -3.545 -0.862 534 HB THR 65 HB THR 65 14.786 -1.517 1.433 535 HG1 THR 65 HG1 THR 65 15.695 -1.450 -1.226 536 HG21 THR 65 1HG2 THR 65 16.991 -3.322 0.354 537 HG22 THR 65 2HG2 THR 65 16.188 -3.507 1.918 538 HG23 THR 65 3HG2 THR 65 17.197 -2.092 1.595 539 H THR 66 H THR 66 14.778 -5.507 0.156 540 HA THR 66 HA THR 66 12.764 -6.118 2.198 541 HB THR 66 HB THR 66 13.487 -8.494 1.877 542 HG1 THR 66 HG1 THR 66 15.714 -7.487 0.988 543 HG21 THR 66 1HG2 THR 66 12.974 -7.061 -0.764 544 HG22 THR 66 2HG2 THR 66 11.730 -7.508 0.409 545 HG23 THR 66 3HG2 THR 66 12.657 -8.760 -0.417 546 H ASP 67 H ASP 67 13.266 -6.980 4.219 547 HA ASP 67 HA ASP 67 16.053 -6.825 5.218 548 HB2 ASP 67 2HB ASP 67 14.838 -4.787 5.957 549 HB3 ASP 67 3HB ASP 67 13.527 -5.769 6.594 550 H GLY 68 H GLY 68 16.406 -8.973 5.316 551 HA2 GLY 68 2HA GLY 68 16.255 -11.186 5.853 552 HA3 GLY 68 3HA GLY 68 15.036 -10.764 7.051 553 H ASN 69 H ASN 69 12.938 -11.147 6.600 554 HA ASN 69 HA ASN 69 12.136 -12.091 3.891 555 HB2 ASN 69 2HB ASN 69 10.896 -12.791 6.605 556 HB3 ASN 69 3HB ASN 69 10.408 -13.447 5.043 557 HD21 ASN 69 1HD2 ASN 69 11.542 -14.609 7.599 558 HD22 ASN 69 2HD2 ASN 69 12.824 -15.632 7.056 559 H THR 70 H THR 70 11.801 -9.621 6.186 560 HA THR 70 HA THR 70 9.009 -8.947 5.544 561 HB THR 70 HB THR 70 10.878 -7.764 7.647 562 HG1 THR 70 HG1 THR 70 10.157 -10.097 7.802 563 HG21 THR 70 1HG2 THR 70 7.855 -7.536 7.358 564 HG22 THR 70 2HG2 THR 70 9.013 -6.238 7.045 565 HG23 THR 70 3HG2 THR 70 8.817 -6.880 8.678 566 H VAL 71 H VAL 71 8.611 -7.425 4.059 567 HA VAL 71 HA VAL 71 10.849 -6.103 2.716 568 HB VAL 71 HB VAL 71 7.903 -6.145 1.902 569 HG11 VAL 71 1HG1 VAL 71 9.210 -4.398 0.766 570 HG12 VAL 71 2HG1 VAL 71 8.760 -5.671 -0.374 571 HG13 VAL 71 3HG1 VAL 71 10.404 -5.597 0.264 572 HG21 VAL 71 1HG2 VAL 71 8.701 -8.453 2.120 573 HG22 VAL 71 2HG2 VAL 71 10.097 -8.087 1.107 574 HG23 VAL 71 3HG2 VAL 71 8.474 -8.041 0.417 575 H ASN 72 H ASN 72 11.008 -3.878 2.415 576 HA ASN 72 HA ASN 72 9.236 -2.078 3.982 577 HB2 ASN 72 2HB ASN 72 12.279 -1.883 3.640 578 HB3 ASN 72 3HB ASN 72 11.269 -0.692 4.458 579 HD21 ASN 72 1HD2 ASN 72 12.471 -4.000 4.608 580 HD22 ASN 72 2HD2 ASN 72 12.233 -4.202 6.308 581 H VAL 73 H VAL 73 8.043 -1.223 2.296 582 HA VAL 73 HA VAL 73 9.443 -0.197 -0.085 583 HB VAL 73 HB VAL 73 6.430 -0.270 0.438 584 HG11 VAL 73 1HG1 VAL 73 6.238 0.056 -2.013 585 HG12 VAL 73 2HG1 VAL 73 7.994 0.187 -2.135 586 HG13 VAL 73 3HG1 VAL 73 7.077 1.405 -1.243 587 HG21 VAL 73 1HG2 VAL 73 6.366 -2.265 -1.028 588 HG22 VAL 73 2HG2 VAL 73 7.333 -2.563 0.421 589 HG23 VAL 73 3HG2 VAL 73 8.130 -2.253 -1.123 590 H THR 74 H THR 74 10.371 1.674 0.411 591 HA THR 74 HA THR 74 9.100 3.744 2.036 592 HB THR 74 HB THR 74 11.809 3.729 0.624 593 HG1 THR 74 HG1 THR 74 10.917 2.554 2.947 594 HG21 THR 74 1HG2 THR 74 11.034 6.021 1.193 595 HG22 THR 74 2HG2 THR 74 12.402 5.539 2.196 596 HG23 THR 74 3HG2 THR 74 10.773 5.511 2.869 597 H VAL 75 H VAL 75 7.728 5.104 1.026 598 HA VAL 75 HA VAL 75 8.144 5.863 -1.786 599 HB VAL 75 HB VAL 75 6.560 4.039 -1.881 600 HG11 VAL 75 1HG1 VAL 75 4.809 5.473 0.130 601 HG12 VAL 75 2HG1 VAL 75 5.793 4.044 0.457 602 HG13 VAL 75 3HG1 VAL 75 4.451 3.946 -0.681 603 HG21 VAL 75 1HG2 VAL 75 6.112 5.884 -3.424 604 HG22 VAL 75 2HG2 VAL 75 5.077 6.664 -2.228 605 HG23 VAL 75 3HG2 VAL 75 4.599 5.118 -2.932 606 H GLU 76 H GLU 76 8.285 7.977 -1.885 607 HA GLU 76 HA GLU 76 7.139 9.845 -0.007 608 HB2 GLU 76 2HB GLU 76 9.343 10.225 -1.130 609 HB3 GLU 76 3HB GLU 76 8.532 10.278 -2.690 610 HG2 GLU 76 2HG GLU 76 9.001 12.536 -2.038 611 HG3 GLU 76 3HG GLU 76 7.261 12.300 -1.889 612 H LEU 77 H LEU 77 5.129 10.752 -0.214 613 HA LEU 77 HA LEU 77 3.841 10.848 -2.885 614 HB2 LEU 77 2HB LEU 77 2.425 10.358 -0.224 615 HB3 LEU 77 3HB LEU 77 1.608 10.715 -1.736 616 HG LEU 77 HG LEU 77 2.878 8.542 -2.615 617 HD11 LEU 77 1HD1 LEU 77 2.790 7.959 0.345 618 HD12 LEU 77 2HD1 LEU 77 4.249 8.197 -0.616 619 HD13 LEU 77 3HD1 LEU 77 3.200 6.817 -0.937 620 HD21 LEU 77 1HD2 LEU 77 0.446 8.787 -2.501 621 HD22 LEU 77 2HD2 LEU 77 0.469 8.347 -0.791 622 HD23 LEU 77 3HD2 LEU 77 0.952 7.169 -2.016 623 H GLU 78 H GLU 78 2.906 12.739 -3.434 624 HA GLU 78 HA GLU 78 3.222 15.087 -1.670 625 HB2 GLU 78 2HB GLU 78 4.085 15.126 -4.049 626 HB3 GLU 78 3HB GLU 78 2.435 14.944 -4.617 627 HG2 GLU 78 2HG GLU 78 1.858 17.115 -3.627 628 HG3 GLU 78 3HG GLU 78 3.512 17.285 -3.035 629 H GLU 79 H GLU 79 1.465 15.364 -0.369 630 HA GLU 79 HA GLU 79 -1.203 14.469 -1.268 631 HB2 GLU 79 2HB GLU 79 -0.353 15.086 1.596 632 HB3 GLU 79 3HB GLU 79 -1.820 14.271 1.055 633 HG2 GLU 79 2HG GLU 79 -0.243 12.457 0.093 634 HG3 GLU 79 3HG GLU 79 1.015 13.210 1.074 635 H THR 80 H THR 80 -2.228 16.145 -2.216 636 HA THR 80 HA THR 80 -2.248 18.827 -1.014 637 HB THR 80 HB THR 80 -3.580 17.832 -3.579 638 HG1 THR 80 HG1 THR 80 -1.333 17.720 -3.771 639 HG21 THR 80 1HG2 THR 80 -3.754 20.229 -4.173 640 HG22 THR 80 2HG2 THR 80 -3.059 20.675 -2.614 641 HG23 THR 80 3HG2 THR 80 -4.640 19.896 -2.679 642 H THR 81 H THR 81 -3.642 19.043 0.620 643 HA THR 81 HA THR 81 -6.416 18.058 0.400 644 HB THR 81 HB THR 81 -5.418 16.427 1.855 645 HG1 THR 81 HG1 THR 81 -6.494 16.961 3.892 646 HG21 THR 81 1HG2 THR 81 -3.328 17.579 2.475 647 HG22 THR 81 2HG2 THR 81 -4.157 16.978 3.912 648 HG23 THR 81 3HG2 THR 81 -4.233 18.693 3.506 649 H GLY 82 H GLY 82 -7.812 19.674 0.656 650 HA2 GLY 82 2HA GLY 82 -8.823 21.625 1.334 651 HA3 GLY 82 3HA GLY 82 -7.637 21.737 2.626 652 H GLY 83 H GLY 83 -6.325 21.488 -0.537 653 HA2 GLY 83 2HA GLY 83 -5.549 23.163 -2.012 654 HA3 GLY 83 3HA GLY 83 -5.874 24.398 -0.802 655 H THR 84 H THR 84 -4.567 22.675 1.321 656 HA THR 84 HA THR 84 -1.857 23.661 0.922 657 HB THR 84 HB THR 84 -1.524 22.826 3.314 658 HG1 THR 84 HG1 THR 84 -3.407 21.310 3.085 659 HG21 THR 84 1HG2 THR 84 -2.841 24.610 4.369 660 HG22 THR 84 2HG2 THR 84 -3.819 24.765 2.908 661 HG23 THR 84 3HG2 THR 84 -2.105 25.180 2.865 662 H THR 85 H THR 85 -0.290 22.448 0.078 663 HA THR 85 HA THR 85 -0.577 19.541 -0.181 664 HB THR 85 HB THR 85 1.518 21.397 -1.409 665 HG1 THR 85 HG1 THR 85 -0.793 20.351 -2.687 666 HG21 THR 85 1HG2 THR 85 1.835 19.591 -3.035 667 HG22 THR 85 2HG2 THR 85 0.643 18.596 -2.201 668 HG23 THR 85 3HG2 THR 85 2.169 19.002 -1.406 669 H THR 86 H THR 86 0.881 18.085 0.740 670 HA THR 86 HA THR 86 3.270 19.001 2.170 671 HB THR 86 HB THR 86 1.095 17.295 3.490 672 HG1 THR 86 HG1 THR 86 1.553 19.949 3.435 673 HG21 THR 86 1HG2 THR 86 3.390 16.547 4.152 674 HG22 THR 86 2HG2 THR 86 2.525 17.289 5.495 675 HG23 THR 86 3HG2 THR 86 3.769 18.207 4.647 676 H ASN 87 H ASN 87 4.904 17.726 1.465 677 HA ASN 87 HA ASN 87 4.468 15.144 0.236 678 HB2 ASN 87 2HB ASN 87 7.041 16.599 0.981 679 HB3 ASN 87 3HB ASN 87 6.992 15.062 0.119 680 HD21 ASN 87 1HD2 ASN 87 6.050 15.036 -2.005 681 HD22 ASN 87 2HD2 ASN 87 6.031 16.477 -2.963 682 H THR 88 H THR 88 3.959 13.491 1.470 683 HA THR 88 HA THR 88 5.165 13.094 4.139 684 HB THR 88 HB THR 88 2.498 12.037 3.093 685 HG1 THR 88 HG1 THR 88 1.686 13.855 3.680 686 HG21 THR 88 1HG2 THR 88 3.666 12.032 5.900 687 HG22 THR 88 2HG2 THR 88 3.466 10.622 4.858 688 HG23 THR 88 3HG2 THR 88 2.046 11.484 5.453 689 H THR 89 H THR 89 6.566 11.436 4.201 690 HA THR 89 HA THR 89 6.670 9.442 2.079 691 HB THR 89 HB THR 89 8.497 9.670 4.512 692 HG1 THR 89 HG1 THR 89 8.365 11.191 2.170 693 HG21 THR 89 1HG2 THR 89 10.136 8.505 3.053 694 HG22 THR 89 2HG2 THR 89 8.926 8.402 1.775 695 HG23 THR 89 3HG2 THR 89 8.686 7.523 3.288 696 H TYR 90 H TYR 90 5.488 7.612 2.300 697 HA TYR 90 HA TYR 90 4.898 6.507 4.988 698 HB2 TYR 90 2HB TYR 90 3.653 5.981 2.248 699 HB3 TYR 90 3HB TYR 90 3.252 5.051 3.684 700 HD1 TYR 90 HD1 TYR 90 2.934 8.383 2.076 701 HD2 TYR 90 HD2 TYR 90 1.776 5.947 5.379 702 HE1 TYR 90 HE1 TYR 90 1.159 9.988 2.623 703 HE2 TYR 90 HE2 TYR 90 0.002 7.541 5.941 704 HH TYR 90 HH TYR 90 -0.912 10.130 3.841 705 H GLU 91 H GLU 91 5.839 4.582 5.576 706 HA GLU 91 HA GLU 91 7.296 2.995 3.529 707 HB2 GLU 91 2HB GLU 91 7.833 3.291 6.515 708 HB3 GLU 91 3HB GLU 91 8.618 2.085 5.494 709 HG2 GLU 91 2HG GLU 91 9.612 3.895 4.128 710 HG3 GLU 91 3HG GLU 91 8.835 5.097 5.163 711 H LEU 92 H LEU 92 5.850 1.521 2.931 712 HA LEU 92 HA LEU 92 4.049 0.249 4.847 713 HB2 LEU 92 2HB LEU 92 4.334 -0.053 1.823 714 HB3 LEU 92 3HB LEU 92 3.171 -0.934 2.799 715 HG LEU 92 HG LEU 92 2.212 1.343 3.507 716 HD11 LEU 92 1HD1 LEU 92 4.090 2.762 2.874 717 HD12 LEU 92 2HD1 LEU 92 2.604 3.268 2.080 718 HD13 LEU 92 3HD1 LEU 92 3.827 2.373 1.171 719 HD21 LEU 92 1HD2 LEU 92 1.063 -0.113 1.913 720 HD22 LEU 92 2HD2 LEU 92 1.971 0.613 0.584 721 HD23 LEU 92 3HD2 LEU 92 0.833 1.589 1.516 722 H ARG 93 H ARG 93 5.058 -1.183 6.073 723 HA ARG 93 HA ARG 93 7.208 -2.864 5.017 724 HB2 ARG 93 2HB ARG 93 7.576 -1.562 7.131 725 HB3 ARG 93 3HB ARG 93 6.313 -2.510 7.916 726 HG2 ARG 93 2HG ARG 93 7.605 -4.542 7.674 727 HG3 ARG 93 3HG ARG 93 8.810 -3.720 6.681 728 HD2 ARG 93 2HD ARG 93 9.740 -3.986 8.860 729 HD3 ARG 93 3HD ARG 93 9.344 -2.279 8.669 730 HE ARG 93 HE ARG 93 7.166 -3.480 9.906 731 HH11 ARG 93 1HH1 ARG 93 10.562 -2.895 10.652 732 HH12 ARG 93 2HH1 ARG 93 10.304 -2.836 12.369 733 HH21 ARG 93 1HH2 ARG 93 6.851 -3.424 12.186 734 HH22 ARG 93 2HH2 ARG 93 8.212 -3.134 13.228 735 H PHE 94 H PHE 94 6.531 -4.685 4.140 736 HA PHE 94 HA PHE 94 4.007 -5.942 4.877 737 HB2 PHE 94 2HB PHE 94 6.001 -6.385 2.610 738 HB3 PHE 94 3HB PHE 94 4.570 -7.382 2.834 739 HD1 PHE 94 HD1 PHE 94 5.717 -3.912 2.092 740 HD2 PHE 94 HD2 PHE 94 2.394 -6.615 2.144 741 HE1 PHE 94 HE1 PHE 94 4.376 -2.294 0.820 742 HE2 PHE 94 HE2 PHE 94 1.061 -4.988 0.879 743 HZ PHE 94 HZ PHE 94 2.046 -2.832 0.217 744 H GLU 95 H GLU 95 4.074 -7.266 6.555 745 HA GLU 95 HA GLU 95 6.427 -8.856 7.242 746 HB2 GLU 95 2HB GLU 95 5.237 -7.599 9.030 747 HB3 GLU 95 3HB GLU 95 3.769 -8.516 8.699 748 HG2 GLU 95 2HG GLU 95 4.905 -10.601 9.387 749 HG3 GLU 95 3HG GLU 95 6.385 -9.699 9.710 750 H VAL 96 H VAL 96 6.630 -10.814 6.371 751 HA VAL 96 HA VAL 96 4.278 -12.270 5.327 752 HB VAL 96 HB VAL 96 5.711 -13.414 3.803 753 HG11 VAL 96 1HG1 VAL 96 5.272 -11.106 3.152 754 HG12 VAL 96 2HG1 VAL 96 6.850 -11.620 2.565 755 HG13 VAL 96 3HG1 VAL 96 6.736 -10.558 3.972 756 HG21 VAL 96 1HG2 VAL 96 7.555 -14.039 5.302 757 HG22 VAL 96 2HG2 VAL 96 8.149 -12.379 5.313 758 HG23 VAL 96 3HG2 VAL 96 8.189 -13.323 3.819 759 H ASP 97 H ASP 97 3.930 -14.430 5.839 760 HA ASP 97 HA ASP 97 5.695 -15.812 7.754 761 HB2 ASP 97 2HB ASP 97 3.788 -14.879 9.059 762 HB3 ASP 97 3HB ASP 97 2.646 -15.667 7.977 763 H GLY 98 H GLY 98 6.326 -17.632 6.788 764 HA2 GLY 98 2HA GLY 98 6.225 -19.656 5.700 765 HA3 GLY 98 3HA GLY 98 4.511 -19.401 5.399 766 H ASP 99 H ASP 99 3.865 -18.533 3.449 767 HA ASP 99 HA ASP 99 5.973 -17.960 1.437 768 HB2 ASP 99 2HB ASP 99 5.052 -20.194 1.048 769 HB3 ASP 99 3HB ASP 99 3.406 -19.573 1.099 770 H THR 100 H THR 100 2.983 -16.906 2.859 771 HA THR 100 HA THR 100 2.610 -14.886 0.712 772 HB THR 100 HB THR 100 0.681 -16.477 0.925 773 HG1 THR 100 HG1 THR 100 0.193 -14.464 0.118 774 HG21 THR 100 1HG2 THR 100 -0.847 -16.310 2.844 775 HG22 THR 100 2HG2 THR 100 0.251 -15.188 3.648 776 HG23 THR 100 3HG2 THR 100 0.740 -16.860 3.379 777 H ILE 101 H ILE 101 1.806 -12.822 1.358 778 HA ILE 101 HA ILE 101 3.122 -11.796 3.733 779 HB ILE 101 HB ILE 101 1.461 -10.164 1.766 780 HG12 ILE 101 2HG1 ILE 101 4.449 -10.764 1.515 781 HG13 ILE 101 3HG1 ILE 101 3.196 -11.456 0.493 782 HG21 ILE 101 1HG2 ILE 101 2.040 -9.061 3.891 783 HG22 ILE 101 2HG2 ILE 101 2.890 -8.305 2.545 784 HG23 ILE 101 3HG2 ILE 101 3.753 -9.405 3.619 785 HD11 ILE 101 1HD1 ILE 101 4.343 -9.646 -0.632 786 HD12 ILE 101 2HD1 ILE 101 3.910 -8.523 0.658 787 HD13 ILE 101 3HD1 ILE 101 2.652 -9.231 -0.362 788 H ARG 102 H ARG 102 2.074 -11.345 5.598 789 HA ARG 102 HA ARG 102 -0.783 -12.040 5.801 790 HB2 ARG 102 2HB ARG 102 1.223 -11.643 8.062 791 HB3 ARG 102 3HB ARG 102 -0.362 -12.412 8.165 792 HG2 ARG 102 2HG ARG 102 2.044 -13.469 6.656 793 HG3 ARG 102 3HG ARG 102 1.430 -14.067 8.196 794 HD2 ARG 102 2HD ARG 102 -0.686 -14.727 7.064 795 HD3 ARG 102 3HD ARG 102 -0.012 -14.169 5.532 796 HE ARG 102 HE ARG 102 1.685 -15.908 5.735 797 HH11 ARG 102 1HH1 ARG 102 -1.181 -16.309 7.731 798 HH12 ARG 102 2HH1 ARG 102 -0.982 -18.022 7.881 799 HH21 ARG 102 1HH2 ARG 102 1.920 -18.147 5.919 800 HH22 ARG 102 2HH2 ARG 102 0.788 -19.073 6.848 801 H ARG 103 H ARG 103 1.504 -9.481 6.617 802 HA ARG 103 HA ARG 103 -0.704 -7.646 7.355 803 HB2 ARG 103 2HB ARG 103 1.902 -8.084 8.906 804 HB3 ARG 103 3HB ARG 103 0.737 -6.804 9.239 805 HG2 ARG 103 2HG ARG 103 -0.958 -8.464 9.858 806 HG3 ARG 103 3HG ARG 103 0.152 -9.776 9.456 807 HD2 ARG 103 2HD ARG 103 1.678 -9.043 11.242 808 HD3 ARG 103 3HD ARG 103 0.589 -7.710 11.641 809 HE ARG 103 HE ARG 103 -1.076 -9.714 11.987 810 HH11 ARG 103 1HH1 ARG 103 2.309 -9.604 12.985 811 HH12 ARG 103 2HH1 ARG 103 2.060 -10.665 14.337 812 HH21 ARG 103 1HH2 ARG 103 -1.379 -11.085 13.759 813 HH22 ARG 103 2HH2 ARG 103 -0.034 -11.505 14.775 814 H VAL 104 H VAL 104 -0.162 -5.425 7.180 815 HA VAL 104 HA VAL 104 2.473 -4.670 6.138 816 HB VAL 104 HB VAL 104 1.124 -4.709 4.111 817 HG11 VAL 104 1HG1 VAL 104 -0.861 -2.858 5.464 818 HG12 VAL 104 2HG1 VAL 104 -1.133 -4.555 5.064 819 HG13 VAL 104 3HG1 VAL 104 -0.906 -3.371 3.773 820 HG21 VAL 104 1HG2 VAL 104 1.398 -2.381 3.348 821 HG22 VAL 104 2HG2 VAL 104 2.771 -2.892 4.331 822 HG23 VAL 104 3HG2 VAL 104 1.536 -1.839 5.025 823 H THR 105 H THR 105 3.267 -3.253 7.508 824 HA THR 105 HA THR 105 1.546 -1.606 9.231 825 HB THR 105 HB THR 105 4.556 -2.137 9.428 826 HG1 THR 105 HG1 THR 105 2.320 -3.564 10.375 827 HG21 THR 105 1HG2 THR 105 4.294 -1.382 11.760 828 HG22 THR 105 2HG2 THR 105 2.589 -1.034 11.471 829 HG23 THR 105 3HG2 THR 105 3.834 -0.104 10.634 830 H VAL 106 H VAL 106 1.071 0.247 8.181 831 HA VAL 106 HA VAL 106 2.924 1.494 6.301 832 HB VAL 106 HB VAL 106 0.112 2.398 7.112 833 HG11 VAL 106 1HG1 VAL 106 0.146 3.710 5.014 834 HG12 VAL 106 2HG1 VAL 106 1.808 3.199 4.717 835 HG13 VAL 106 3HG1 VAL 106 1.436 4.216 6.110 836 HG21 VAL 106 1HG2 VAL 106 0.936 0.707 4.720 837 HG22 VAL 106 2HG2 VAL 106 -0.689 1.321 5.034 838 HG23 VAL 106 3HG2 VAL 106 0.035 0.137 6.126 839 H THR 107 H THR 107 4.510 2.590 7.281 840 HA THR 107 HA THR 107 4.097 4.027 9.794 841 HB THR 107 HB THR 107 6.664 3.379 8.266 842 HG1 THR 107 HG1 THR 107 5.294 2.133 10.417 843 HG21 THR 107 1HG2 THR 107 6.966 5.383 9.692 844 HG22 THR 107 2HG2 THR 107 7.837 4.000 10.350 845 HG23 THR 107 3HG2 THR 107 6.311 4.498 11.080 846 H GLN 108 H GLN 108 3.336 6.014 9.509 847 HA GLN 108 HA GLN 108 3.839 7.581 7.124 848 HB2 GLN 108 2HB GLN 108 1.591 7.549 8.141 849 HB3 GLN 108 3HB GLN 108 2.240 8.207 9.639 850 HG2 GLN 108 2HG GLN 108 2.825 10.303 8.477 851 HG3 GLN 108 3HG GLN 108 2.204 9.644 6.964 852 HE21 GLN 108 1HE2 GLN 108 1.371 12.030 8.439 853 HE22 GLN 108 2HE2 GLN 108 -0.320 11.838 8.729 854 H ASN 109 H ASN 109 6.012 8.129 7.167 855 HA ASN 109 HA ASN 109 7.265 9.591 9.307 856 HB2 ASN 109 2HB ASN 109 8.043 9.470 6.346 857 HB3 ASN 109 3HB ASN 109 9.063 10.038 7.663 858 HD21 ASN 109 1HD2 ASN 109 7.634 7.215 6.162 859 HD22 ASN 109 2HD2 ASN 109 8.638 6.053 6.957 860 H GLY 110 H GLY 110 5.916 11.254 9.863 861 HA2 GLY 110 2HA GLY 110 5.823 13.670 8.352 862 HA3 GLY 110 3HA GLY 110 4.279 12.815 8.262 863 H GLY 111 H GLY 111 6.560 12.921 10.945 864 HA2 GLY 111 2HA GLY 111 4.601 14.361 12.660 865 HA3 GLY 111 3HA GLY 111 5.353 12.858 13.184 866 H SER 112 H SER 112 6.288 15.972 11.786 867 HA SER 112 HA SER 112 7.571 17.684 12.467 868 HB2 SER 112 2HB SER 112 8.061 16.151 15.046 869 HB3 SER 112 3HB SER 112 8.398 17.867 14.776 870 HG SER 112 HG SER 112 5.960 16.548 15.163 871 H LEU 113 H LEU 113 8.872 14.504 12.221 872 HA LEU 113 HA LEU 113 11.665 15.334 12.457 873 HB2 LEU 113 2HB LEU 113 10.928 13.148 13.393 874 HB3 LEU 113 3HB LEU 113 10.477 12.611 11.783 875 HG LEU 113 HG LEU 113 12.862 12.690 11.064 876 HD11 LEU 113 1HD1 LEU 113 13.472 13.533 13.909 877 HD12 LEU 113 2HD1 LEU 113 13.655 14.521 12.457 878 HD13 LEU 113 3HD1 LEU 113 14.664 13.095 12.681 879 HD21 LEU 113 1HD2 LEU 113 11.997 10.596 11.990 880 HD22 LEU 113 2HD2 LEU 113 12.476 11.097 13.614 881 HD23 LEU 113 3HD2 LEU 113 13.703 10.803 12.378 882 H GLU 114 H GLU 114 11.546 16.842 10.664 883 HA GLU 114 HA GLU 114 11.481 15.834 7.954 884 HB2 GLU 114 2HB GLU 114 12.549 18.492 9.020 885 HB3 GLU 114 3HB GLU 114 12.273 18.103 7.323 886 HG2 GLU 114 2HG GLU 114 9.827 17.860 7.812 887 HG3 GLU 114 3HG GLU 114 10.141 18.348 9.479 888 H HIS 115 H HIS 115 12.943 14.137 7.957 889 HA HIS 115 HA HIS 115 15.623 14.214 8.886 890 HB2 HIS 115 2HB HIS 115 14.324 12.110 8.493 891 HB3 HIS 115 3HB HIS 115 14.379 12.406 6.762 892 HD1 HIS 115 HD1 HIS 115 15.557 10.081 6.519 893 HD2 HIS 115 HD2 HIS 115 17.735 12.846 8.721 894 HE1 HIS 115 HE1 HIS 115 17.859 9.112 6.734 895 HE2 HIS 115 HE2 HIS 115 19.173 10.838 8.006 896 H HIS 116 H HIS 116 16.468 16.141 8.128 897 HA HIS 116 HA HIS 116 16.397 16.831 5.287 898 HB2 HIS 116 2HB HIS 116 17.261 19.043 6.002 899 HB3 HIS 116 3HB HIS 116 15.803 18.592 6.870 900 HD1 HIS 116 HD1 HIS 116 19.243 19.716 7.384 901 HD2 HIS 116 HD2 HIS 116 16.336 17.815 9.662 902 HE1 HIS 116 HE1 HIS 116 19.956 19.996 9.776 903 HE2 HIS 116 HE2 HIS 116 18.124 18.934 11.127 904 H HIS 117 H HIS 117 17.739 14.885 4.931 905 HA HIS 117 HA HIS 117 20.545 14.941 5.498 906 HB2 HIS 117 2HB HIS 117 19.468 12.797 5.058 907 HB3 HIS 117 3HB HIS 117 18.932 13.330 3.469 908 HD1 HIS 117 HD1 HIS 117 20.449 12.769 1.561 909 HD2 HIS 117 HD2 HIS 117 22.433 12.584 5.211 910 HE1 HIS 117 HE1 HIS 117 22.759 11.928 1.039 911 HE2 HIS 117 HE2 HIS 117 23.883 11.694 3.275 912 H HIS 118 H HIS 118 22.028 16.153 4.526 913 HA HIS 118 HA HIS 118 21.566 17.888 2.343 914 HB2 HIS 118 2HB HIS 118 24.167 16.945 3.628 915 HB3 HIS 118 3HB HIS 118 24.100 18.166 2.361 916 HD1 HIS 118 HD1 HIS 118 23.941 17.783 5.971 917 HD2 HIS 118 HD2 HIS 118 22.640 20.568 3.175 918 HE1 HIS 118 HE1 HIS 118 23.487 19.879 7.271 919 HE2 HIS 118 HE2 HIS 118 22.575 21.500 5.578 920 H HIS 119 H HIS 119 20.895 16.903 0.539 921 HA HIS 119 HA HIS 119 22.547 14.855 -0.777 922 HB2 HIS 119 2HB HIS 119 20.607 14.872 -2.484 923 HB3 HIS 119 3HB HIS 119 20.255 14.223 -0.887 924 HD1 HIS 119 HD1 HIS 119 18.721 15.634 0.652 925 HD2 HIS 119 HD2 HIS 119 19.109 17.146 -3.200 926 HE1 HIS 119 HE1 HIS 119 16.905 17.339 0.415 927 HE2 HIS 119 HE2 HIS 119 17.018 18.054 -1.987 928 H HIS 120 H HIS 120 24.234 15.737 -1.783 929 HA HIS 120 HA HIS 120 23.813 17.737 -3.890 930 HB2 HIS 120 2HB HIS 120 25.756 19.122 -3.097 931 HB3 HIS 120 3HB HIS 120 24.360 19.197 -2.028 932 HD1 HIS 120 HD1 HIS 120 27.864 17.788 -2.219 933 HD2 HIS 120 HD2 HIS 120 24.864 18.347 0.589 934 HE1 HIS 120 HE1 HIS 120 28.920 17.296 -0.004 935 HE2 HIS 120 HE2 HIS 120 27.141 17.859 1.685 Start of MODEL 17 1 H1 MET 1 1H MET 1 2.152 -13.353 -6.134 2 H2 MET 1 2H MET 1 3.724 -12.808 -6.430 3 H3 MET 1 3H MET 1 3.468 -14.384 -5.890 4 HA MET 1 HA MET 1 2.259 -14.912 -7.883 5 HB2 MET 1 2HB MET 1 2.237 -13.403 -9.795 6 HB3 MET 1 3HB MET 1 1.527 -12.598 -8.405 7 HG2 MET 1 2HG MET 1 4.270 -12.111 -9.569 8 HG3 MET 1 3HG MET 1 2.868 -11.042 -9.647 9 HE1 MET 1 1HE MET 1 5.802 -10.131 -8.668 10 HE2 MET 1 2HE MET 1 5.396 -9.135 -7.270 11 HE3 MET 1 3HE MET 1 4.437 -9.014 -8.747 12 H GLN 2 H GLN 2 5.326 -13.085 -7.630 13 HA GLN 2 HA GLN 2 6.801 -15.441 -8.649 14 HB2 GLN 2 2HB GLN 2 7.314 -12.522 -9.408 15 HB3 GLN 2 3HB GLN 2 8.429 -13.833 -9.752 16 HG2 GLN 2 2HG GLN 2 5.610 -13.701 -10.857 17 HG3 GLN 2 3HG GLN 2 7.024 -13.069 -11.696 18 HE21 GLN 2 1HE2 GLN 2 5.344 -15.952 -10.718 19 HE22 GLN 2 2HE2 GLN 2 6.282 -17.055 -11.658 20 H ASP 3 H ASP 3 7.993 -12.253 -7.643 21 HA ASP 3 HA ASP 3 9.515 -13.503 -5.442 22 HB2 ASP 3 2HB ASP 3 11.071 -12.538 -6.929 23 HB3 ASP 3 3HB ASP 3 10.028 -11.175 -7.309 24 H ILE 4 H ILE 4 9.565 -12.534 -3.450 25 HA ILE 4 HA ILE 4 7.027 -11.534 -2.569 26 HB ILE 4 HB ILE 4 9.610 -12.029 -1.016 27 HG12 ILE 4 2HG1 ILE 4 8.800 -14.083 -2.125 28 HG13 ILE 4 3HG1 ILE 4 8.627 -14.208 -0.384 29 HG21 ILE 4 1HG2 ILE 4 6.791 -11.684 0.059 30 HG22 ILE 4 2HG2 ILE 4 8.138 -10.562 0.263 31 HG23 ILE 4 3HG2 ILE 4 8.205 -12.160 1.004 32 HD11 ILE 4 1HD1 ILE 4 6.397 -13.667 -2.356 33 HD12 ILE 4 2HD1 ILE 4 6.209 -13.774 -0.602 34 HD13 ILE 4 3HD1 ILE 4 6.727 -15.184 -1.523 35 H VAL 5 H VAL 5 10.202 -10.102 -3.079 36 HA VAL 5 HA VAL 5 9.881 -7.745 -1.507 37 HB VAL 5 HB VAL 5 11.705 -8.070 -3.939 38 HG11 VAL 5 1HG1 VAL 5 13.180 -6.464 -2.778 39 HG12 VAL 5 2HG1 VAL 5 12.000 -6.314 -1.473 40 HG13 VAL 5 3HG1 VAL 5 11.591 -5.766 -3.100 41 HG21 VAL 5 1HG2 VAL 5 12.249 -8.942 -1.078 42 HG22 VAL 5 2HG2 VAL 5 13.436 -8.935 -2.387 43 HG23 VAL 5 3HG2 VAL 5 12.031 -10.000 -2.475 44 H GLU 6 H GLU 6 9.659 -8.350 -5.025 45 HA GLU 6 HA GLU 6 8.615 -5.787 -5.704 46 HB2 GLU 6 2HB GLU 6 9.829 -7.275 -7.316 47 HB3 GLU 6 3HB GLU 6 8.449 -8.370 -7.314 48 HG2 GLU 6 2HG GLU 6 7.025 -6.526 -8.215 49 HG3 GLU 6 3HG GLU 6 8.444 -5.483 -8.254 50 H ALA 7 H ALA 7 7.106 -8.821 -4.713 51 HA ALA 7 HA ALA 7 4.425 -8.306 -5.381 52 HB1 ALA 7 1HB ALA 7 5.486 -9.766 -2.936 53 HB2 ALA 7 2HB ALA 7 5.202 -10.477 -4.524 54 HB3 ALA 7 3HB ALA 7 3.842 -9.872 -3.582 55 H ALA 8 H ALA 8 6.247 -7.519 -2.432 56 HA ALA 8 HA ALA 8 4.264 -6.094 -1.045 57 HB1 ALA 8 1HB ALA 8 6.314 -6.934 -0.008 58 HB2 ALA 8 2HB ALA 8 6.140 -5.203 0.277 59 HB3 ALA 8 3HB ALA 8 7.280 -5.791 -0.938 60 H LYS 9 H LYS 9 6.646 -5.035 -3.435 61 HA LYS 9 HA LYS 9 6.269 -2.251 -3.302 62 HB2 LYS 9 2HB LYS 9 8.192 -3.196 -4.421 63 HB3 LYS 9 3HB LYS 9 7.179 -4.077 -5.558 64 HG2 LYS 9 2HG LYS 9 6.458 -1.949 -6.576 65 HG3 LYS 9 3HG LYS 9 7.456 -1.057 -5.423 66 HD2 LYS 9 2HD LYS 9 9.495 -2.070 -6.360 67 HD3 LYS 9 3HD LYS 9 8.521 -3.054 -7.463 68 HE2 LYS 9 2HE LYS 9 7.734 -1.051 -8.619 69 HE3 LYS 9 3HE LYS 9 8.575 -0.015 -7.463 70 HZ1 LYS 9 1HZ LYS 9 9.793 -0.263 -9.544 71 HZ2 LYS 9 2HZ LYS 9 9.904 -1.928 -9.310 72 HZ3 LYS 9 3HZ LYS 9 10.679 -0.877 -8.242 73 H GLN 10 H GLN 10 4.796 -4.634 -5.518 74 HA GLN 10 HA GLN 10 3.077 -2.909 -6.936 75 HB2 GLN 10 2HB GLN 10 2.830 -5.900 -6.373 76 HB3 GLN 10 3HB GLN 10 1.850 -5.037 -7.550 77 HG2 GLN 10 2HG GLN 10 4.857 -5.392 -7.669 78 HG3 GLN 10 3HG GLN 10 3.670 -6.279 -8.625 79 HE21 GLN 10 1HE2 GLN 10 2.569 -5.181 -10.304 80 HE22 GLN 10 2HE2 GLN 10 3.117 -3.669 -10.927 81 H ALA 11 H ALA 11 2.725 -4.709 -3.971 82 HA ALA 11 HA ALA 11 -0.048 -4.448 -3.545 83 HB1 ALA 11 1HB ALA 11 0.483 -5.173 -1.262 84 HB2 ALA 11 2HB ALA 11 2.201 -4.879 -1.558 85 HB3 ALA 11 3HB ALA 11 1.348 -6.138 -2.456 86 H ALA 12 H ALA 12 2.742 -2.560 -2.386 87 HA ALA 12 HA ALA 12 1.434 -0.824 -0.638 88 HB1 ALA 12 1HB ALA 12 3.899 -0.254 -2.309 89 HB2 ALA 12 2HB ALA 12 3.878 -1.058 -0.741 90 HB3 ALA 12 3HB ALA 12 3.394 0.633 -0.860 91 H ILE 13 H ILE 13 2.182 -0.417 -4.075 92 HA ILE 13 HA ILE 13 1.115 2.188 -4.437 93 HB ILE 13 HB ILE 13 1.482 -0.024 -6.524 94 HG12 ILE 13 2HG1 ILE 13 3.486 2.133 -5.676 95 HG13 ILE 13 3HG1 ILE 13 3.582 0.438 -5.214 96 HG21 ILE 13 1HG2 ILE 13 1.649 1.791 -8.168 97 HG22 ILE 13 2HG2 ILE 13 1.405 2.990 -6.899 98 HG23 ILE 13 3HG2 ILE 13 0.104 1.878 -7.315 99 HD11 ILE 13 1HD1 ILE 13 3.790 1.515 -8.023 100 HD12 ILE 13 2HD1 ILE 13 3.868 -0.188 -7.563 101 HD13 ILE 13 3HD1 ILE 13 5.113 0.932 -7.012 102 H ALA 14 H ALA 14 -0.243 -1.073 -4.788 103 HA ALA 14 HA ALA 14 -2.747 -0.387 -5.941 104 HB1 ALA 14 1HB ALA 14 -1.992 -2.835 -4.328 105 HB2 ALA 14 2HB ALA 14 -1.791 -2.636 -6.069 106 HB3 ALA 14 3HB ALA 14 -3.411 -2.676 -5.375 107 H ILE 15 H ILE 15 -1.687 -0.650 -2.587 108 HA ILE 15 HA ILE 15 -4.188 -0.483 -1.274 109 HB ILE 15 HB ILE 15 -1.358 0.278 -0.417 110 HG12 ILE 15 2HG1 ILE 15 -3.161 -2.057 0.395 111 HG13 ILE 15 3HG1 ILE 15 -1.847 -2.150 -0.769 112 HG21 ILE 15 1HG2 ILE 15 -3.814 0.288 1.370 113 HG22 ILE 15 2HG2 ILE 15 -2.864 1.699 0.899 114 HG23 ILE 15 3HG2 ILE 15 -2.145 0.453 1.920 115 HD11 ILE 15 1HD1 ILE 15 -1.583 -1.583 2.178 116 HD12 ILE 15 2HD1 ILE 15 -0.250 -1.616 1.018 117 HD13 ILE 15 3HD1 ILE 15 -1.176 -3.081 1.339 118 H PHE 16 H PHE 16 -1.947 2.011 -2.479 119 HA PHE 16 HA PHE 16 -3.423 4.280 -1.537 120 HB2 PHE 16 2HB PHE 16 -1.418 4.167 -3.826 121 HB3 PHE 16 3HB PHE 16 -1.940 5.618 -2.973 122 HD1 PHE 16 HD1 PHE 16 -1.833 4.671 -0.118 123 HD2 PHE 16 HD2 PHE 16 0.891 4.077 -3.369 124 HE1 PHE 16 HE1 PHE 16 0.031 4.416 1.476 125 HE2 PHE 16 HE2 PHE 16 2.733 3.824 -1.768 126 HZ PHE 16 HZ PHE 16 2.307 3.998 0.646 127 H GLN 17 H GLN 17 -3.440 2.424 -4.519 128 HA GLN 17 HA GLN 17 -5.124 4.015 -6.129 129 HB2 GLN 17 2HB GLN 17 -4.684 1.001 -6.072 130 HB3 GLN 17 3HB GLN 17 -5.649 1.804 -7.308 131 HG2 GLN 17 2HG GLN 17 -3.702 3.039 -8.093 132 HG3 GLN 17 3HG GLN 17 -2.721 2.378 -6.782 133 HE21 GLN 17 1HE2 GLN 17 -1.273 1.585 -8.415 134 HE22 GLN 17 2HE2 GLN 17 -1.630 0.135 -9.277 135 H LEU 18 H LEU 18 -5.875 1.459 -3.772 136 HA LEU 18 HA LEU 18 -8.721 1.638 -4.062 137 HB2 LEU 18 2HB LEU 18 -7.028 0.434 -1.839 138 HB3 LEU 18 3HB LEU 18 -8.782 0.323 -1.900 139 HG LEU 18 HG LEU 18 -6.831 -0.915 -3.885 140 HD11 LEU 18 1HD1 LEU 18 -6.935 -2.102 -1.742 141 HD12 LEU 18 2HD1 LEU 18 -7.649 -3.059 -3.035 142 HD13 LEU 18 3HD1 LEU 18 -8.693 -2.228 -1.876 143 HD21 LEU 18 1HD2 LEU 18 -8.792 -1.941 -4.967 144 HD22 LEU 18 2HD2 LEU 18 -8.842 -0.184 -5.083 145 HD23 LEU 18 3HD2 LEU 18 -9.870 -1.019 -3.915 146 H TRP 19 H TRP 19 -6.351 3.182 -1.914 147 HA TRP 19 HA TRP 19 -8.162 4.306 -0.057 148 HB2 TRP 19 2HB TRP 19 -5.300 4.919 -0.787 149 HB3 TRP 19 3HB TRP 19 -6.170 5.989 0.305 150 HD1 TRP 19 HD1 TRP 19 -7.381 2.622 1.140 151 HE1 TRP 19 HE1 TRP 19 -6.117 1.692 3.176 152 HE3 TRP 19 HE3 TRP 19 -3.463 5.935 1.272 153 HZ2 TRP 19 HZ2 TRP 19 -3.784 2.280 4.653 154 HZ3 TRP 19 HZ3 TRP 19 -1.766 5.684 3.038 155 HH2 TRP 19 HH2 TRP 19 -1.934 3.894 4.694 156 H LYS 20 H LYS 20 -7.045 5.501 -3.184 157 HA LYS 20 HA LYS 20 -8.537 8.009 -2.902 158 HB2 LYS 20 2HB LYS 20 -7.641 8.607 -5.084 159 HB3 LYS 20 3HB LYS 20 -6.335 7.999 -4.073 160 HG2 LYS 20 2HG LYS 20 -6.387 5.842 -5.244 161 HG3 LYS 20 3HG LYS 20 -7.761 6.383 -6.214 162 HD2 LYS 20 2HD LYS 20 -6.331 8.186 -7.187 163 HD3 LYS 20 3HD LYS 20 -4.961 7.578 -6.257 164 HE2 LYS 20 2HE LYS 20 -5.116 5.417 -7.467 165 HE3 LYS 20 3HE LYS 20 -6.471 6.053 -8.408 166 HZ1 LYS 20 1HZ LYS 20 -3.702 7.133 -8.390 167 HZ2 LYS 20 2HZ LYS 20 -4.991 7.778 -9.274 168 HZ3 LYS 20 3HZ LYS 20 -4.411 6.234 -9.636 169 H ASN 21 H ASN 21 -9.051 4.804 -4.140 170 HA ASN 21 HA ASN 21 -11.746 5.370 -5.029 171 HB2 ASN 21 2HB ASN 21 -10.428 6.043 -7.027 172 HB3 ASN 21 3HB ASN 21 -9.647 4.464 -7.064 173 HD21 ASN 21 1HD2 ASN 21 -10.851 2.670 -7.777 174 HD22 ASN 21 2HD2 ASN 21 -12.329 2.845 -8.656 175 HA PRO 22 HA PRO 22 -11.019 1.331 -2.853 176 HB2 PRO 22 2HB PRO 22 -13.674 1.044 -1.998 177 HB3 PRO 22 3HB PRO 22 -12.424 1.951 -1.124 178 HG2 PRO 22 2HG PRO 22 -14.526 2.976 -2.999 179 HG3 PRO 22 3HG PRO 22 -14.000 3.632 -1.431 180 HD2 PRO 22 2HD PRO 22 -13.148 4.729 -3.718 181 HD3 PRO 22 3HD PRO 22 -12.038 4.567 -2.335 182 H THR 23 H THR 23 -13.247 2.062 -5.419 183 HA THR 23 HA THR 23 -14.197 -0.679 -5.749 184 HB THR 23 HB THR 23 -15.605 0.347 -7.566 185 HG1 THR 23 HG1 THR 23 -14.497 2.074 -8.291 186 HG21 THR 23 1HG2 THR 23 -17.058 1.688 -6.077 187 HG22 THR 23 2HG2 THR 23 -15.755 1.818 -4.895 188 HG23 THR 23 3HG2 THR 23 -16.476 0.245 -5.239 189 H ASP 24 H ASP 24 -11.324 0.511 -6.507 190 HA ASP 24 HA ASP 24 -11.075 -0.011 -9.315 191 HB2 ASP 24 2HB ASP 24 -9.484 1.462 -7.986 192 HB3 ASP 24 3HB ASP 24 -8.818 0.011 -7.244 193 HA PRO 25 HA PRO 25 -11.355 -4.473 -8.600 194 HB2 PRO 25 2HB PRO 25 -11.241 -5.334 -11.204 195 HB3 PRO 25 3HB PRO 25 -12.677 -4.542 -10.517 196 HG2 PRO 25 2HG PRO 25 -10.486 -3.325 -12.178 197 HG3 PRO 25 3HG PRO 25 -12.251 -3.164 -12.354 198 HD2 PRO 25 2HD PRO 25 -10.791 -1.254 -11.123 199 HD3 PRO 25 3HD PRO 25 -12.432 -1.661 -10.570 200 H GLU 26 H GLU 26 -8.723 -3.009 -10.451 201 HA GLU 26 HA GLU 26 -7.214 -5.443 -10.795 202 HB2 GLU 26 2HB GLU 26 -6.367 -2.542 -11.248 203 HB3 GLU 26 3HB GLU 26 -5.503 -3.973 -11.809 204 HG2 GLU 26 2HG GLU 26 -7.491 -4.576 -13.204 205 HG3 GLU 26 3HG GLU 26 -8.260 -3.075 -12.696 206 H ALA 27 H ALA 27 -7.063 -2.646 -8.669 207 HA ALA 27 HA ALA 27 -4.542 -3.087 -7.489 208 HB1 ALA 27 1HB ALA 27 -5.732 -0.931 -7.409 209 HB2 ALA 27 2HB ALA 27 -5.308 -1.485 -5.788 210 HB3 ALA 27 3HB ALA 27 -6.968 -1.643 -6.369 211 H GLN 28 H GLN 28 -7.835 -3.852 -6.351 212 HA GLN 28 HA GLN 28 -6.998 -5.213 -3.992 213 HB2 GLN 28 2HB GLN 28 -9.368 -5.853 -3.748 214 HB3 GLN 28 3HB GLN 28 -9.184 -4.145 -4.128 215 HG2 GLN 28 2HG GLN 28 -9.751 -4.654 -6.500 216 HG3 GLN 28 3HG GLN 28 -10.053 -6.327 -6.039 217 HE21 GLN 28 1HE2 GLN 28 -11.201 -3.030 -5.789 218 HE22 GLN 28 2HE2 GLN 28 -12.787 -3.424 -5.226 219 H GLU 29 H GLU 29 -7.433 -6.252 -7.298 220 HA GLU 29 HA GLU 29 -7.804 -9.055 -6.818 221 HB2 GLU 29 2HB GLU 29 -8.471 -7.947 -8.948 222 HB3 GLU 29 3HB GLU 29 -6.778 -7.665 -9.340 223 HG2 GLU 29 2HG GLU 29 -6.409 -10.124 -9.419 224 HG3 GLU 29 3HG GLU 29 -8.113 -10.377 -9.041 225 H LEU 30 H LEU 30 -4.901 -7.085 -7.582 226 HA LEU 30 HA LEU 30 -3.130 -9.341 -7.532 227 HB2 LEU 30 2HB LEU 30 -1.299 -7.761 -7.690 228 HB3 LEU 30 3HB LEU 30 -2.573 -7.321 -8.800 229 HG LEU 30 HG LEU 30 -3.242 -5.606 -6.842 230 HD11 LEU 30 1HD1 LEU 30 -1.278 -4.671 -5.699 231 HD12 LEU 30 2HD1 LEU 30 -0.269 -5.962 -6.349 232 HD13 LEU 30 3HD1 LEU 30 -1.574 -6.340 -5.219 233 HD21 LEU 30 1HD2 LEU 30 -0.948 -5.070 -8.762 234 HD22 LEU 30 2HD2 LEU 30 -1.930 -3.847 -7.946 235 HD23 LEU 30 3HD2 LEU 30 -2.671 -4.926 -9.126 236 H LEU 31 H LEU 31 -4.226 -6.971 -5.152 237 HA LEU 31 HA LEU 31 -2.643 -7.753 -2.943 238 HB2 LEU 31 2HB LEU 31 -5.393 -6.471 -3.107 239 HB3 LEU 31 3HB LEU 31 -4.622 -6.796 -1.560 240 HG LEU 31 HG LEU 31 -3.487 -4.959 -3.711 241 HD11 LEU 31 1HD1 LEU 31 -4.076 -3.115 -2.214 242 HD12 LEU 31 2HD1 LEU 31 -4.821 -4.245 -1.078 243 HD13 LEU 31 3HD1 LEU 31 -5.515 -4.020 -2.686 244 HD21 LEU 31 1HD2 LEU 31 -1.718 -5.984 -2.388 245 HD22 LEU 31 2HD2 LEU 31 -2.525 -5.520 -0.888 246 HD23 LEU 31 3HD2 LEU 31 -1.882 -4.280 -1.969 247 H ASN 32 H ASN 32 -5.376 -9.290 -4.410 248 HA ASN 32 HA ASN 32 -6.136 -10.987 -2.223 249 HB2 ASN 32 2HB ASN 32 -7.619 -10.408 -4.190 250 HB3 ASN 32 3HB ASN 32 -6.612 -11.418 -5.219 251 HD21 ASN 32 1HD2 ASN 32 -8.973 -11.391 -2.648 252 HD22 ASN 32 2HD2 ASN 32 -9.354 -13.072 -2.714 253 H LYS 33 H LYS 33 -3.722 -11.101 -4.713 254 HA LYS 33 HA LYS 33 -3.286 -13.985 -4.591 255 HB2 LYS 33 2HB LYS 33 -1.787 -11.831 -6.166 256 HB3 LYS 33 3HB LYS 33 -1.688 -13.575 -6.422 257 HG2 LYS 33 2HG LYS 33 -4.053 -13.621 -7.126 258 HG3 LYS 33 3HG LYS 33 -4.174 -11.886 -6.818 259 HD2 LYS 33 2HD LYS 33 -3.900 -12.260 -9.201 260 HD3 LYS 33 3HD LYS 33 -2.466 -11.458 -8.562 261 HE2 LYS 33 2HE LYS 33 -1.847 -13.196 -10.163 262 HE3 LYS 33 3HE LYS 33 -1.268 -13.631 -8.556 263 HZ1 LYS 33 1HZ LYS 33 -3.104 -15.163 -8.333 264 HZ2 LYS 33 2HZ LYS 33 -2.275 -15.499 -9.765 265 HZ3 LYS 33 3HZ LYS 33 -3.749 -14.678 -9.815 266 H ILE 34 H ILE 34 -1.543 -10.982 -3.765 267 HA ILE 34 HA ILE 34 0.799 -12.551 -2.838 268 HB ILE 34 HB ILE 34 2.065 -10.423 -3.041 269 HG12 ILE 34 2HG1 ILE 34 -0.644 -9.288 -3.866 270 HG13 ILE 34 3HG1 ILE 34 0.398 -8.735 -2.569 271 HG21 ILE 34 1HG2 ILE 34 2.045 -10.280 -5.505 272 HG22 ILE 34 2HG2 ILE 34 0.496 -11.125 -5.551 273 HG23 ILE 34 3HG2 ILE 34 1.939 -11.961 -4.972 274 HD11 ILE 34 1HD1 ILE 34 0.870 -8.418 -5.526 275 HD12 ILE 34 2HD1 ILE 34 2.013 -7.952 -4.268 276 HD13 ILE 34 3HD1 ILE 34 0.442 -7.161 -4.364 277 H LEU 35 H LEU 35 -1.610 -10.268 -1.775 278 HA LEU 35 HA LEU 35 -0.659 -10.418 1.022 279 HB2 LEU 35 2HB LEU 35 -2.052 -8.284 -0.562 280 HB3 LEU 35 3HB LEU 35 -2.610 -8.491 1.083 281 HG LEU 35 HG LEU 35 -0.894 -6.690 0.821 282 HD11 LEU 35 1HD1 LEU 35 0.455 -7.287 2.799 283 HD12 LEU 35 2HD1 LEU 35 -0.066 -8.968 2.655 284 HD13 LEU 35 3HD1 LEU 35 -1.243 -7.704 3.016 285 HD21 LEU 35 1HD2 LEU 35 1.063 -8.948 0.256 286 HD22 LEU 35 2HD2 LEU 35 1.475 -7.247 0.486 287 HD23 LEU 35 3HD2 LEU 35 0.521 -7.740 -0.910 288 H SER 36 H SER 36 -2.837 -10.041 2.456 289 HA SER 36 HA SER 36 -4.391 -12.437 2.169 290 HB2 SER 36 2HB SER 36 -4.817 -10.112 4.088 291 HB3 SER 36 3HB SER 36 -5.453 -11.747 4.249 292 HG SER 36 HG SER 36 -3.654 -12.314 5.125 293 HA PRO 37 HA PRO 37 -8.108 -10.626 0.126 294 HB2 PRO 37 2HB PRO 37 -9.574 -12.622 1.844 295 HB3 PRO 37 3HB PRO 37 -9.649 -12.368 0.086 296 HG2 PRO 37 2HG PRO 37 -8.374 -14.482 1.057 297 HG3 PRO 37 3HG PRO 37 -7.704 -13.587 -0.328 298 HD2 PRO 37 2HD PRO 37 -6.870 -13.473 2.572 299 HD3 PRO 37 3HD PRO 37 -5.865 -13.528 1.100 300 H ASP 38 H ASP 38 -7.667 -11.162 3.519 301 HA ASP 38 HA ASP 38 -9.616 -9.503 4.669 302 HB2 ASP 38 2HB ASP 38 -6.813 -9.989 5.777 303 HB3 ASP 38 3HB ASP 38 -8.275 -9.636 6.688 304 H VAL 39 H VAL 39 -6.303 -8.855 3.543 305 HA VAL 39 HA VAL 39 -6.044 -6.237 4.587 306 HB VAL 39 HB VAL 39 -4.475 -7.678 2.395 307 HG11 VAL 39 1HG1 VAL 39 -4.309 -5.264 1.932 308 HG12 VAL 39 2HG1 VAL 39 -2.771 -5.877 2.540 309 HG13 VAL 39 3HG1 VAL 39 -3.837 -4.956 3.605 310 HG21 VAL 39 1HG2 VAL 39 -3.732 -6.966 5.262 311 HG22 VAL 39 2HG2 VAL 39 -2.715 -7.847 4.119 312 HG23 VAL 39 3HG2 VAL 39 -4.217 -8.561 4.696 313 H LEU 40 H LEU 40 -6.787 -7.329 1.228 314 HA LEU 40 HA LEU 40 -7.053 -4.755 0.132 315 HB2 LEU 40 2HB LEU 40 -8.143 -5.782 -1.766 316 HB3 LEU 40 3HB LEU 40 -6.813 -6.781 -1.224 317 HG LEU 40 HG LEU 40 -8.799 -8.079 0.074 318 HD11 LEU 40 1HD1 LEU 40 -10.624 -6.624 -0.666 319 HD12 LEU 40 2HD1 LEU 40 -10.830 -8.265 -1.270 320 HD13 LEU 40 3HD1 LEU 40 -10.256 -6.994 -2.352 321 HD21 LEU 40 1HD2 LEU 40 -7.223 -9.093 -1.490 322 HD22 LEU 40 2HD2 LEU 40 -8.201 -8.530 -2.848 323 HD23 LEU 40 3HD2 LEU 40 -8.861 -9.707 -1.709 324 H ASP 41 H ASP 41 -9.350 -6.738 1.865 325 HA ASP 41 HA ASP 41 -11.723 -5.286 1.258 326 HB2 ASP 41 2HB ASP 41 -11.803 -7.645 1.891 327 HB3 ASP 41 3HB ASP 41 -11.081 -7.293 3.458 328 H GLN 42 H GLN 42 -9.495 -5.250 4.061 329 HA GLN 42 HA GLN 42 -10.988 -3.251 5.491 330 HB2 GLN 42 2HB GLN 42 -9.178 -3.235 7.097 331 HB3 GLN 42 3HB GLN 42 -9.496 -4.902 6.637 332 HG2 GLN 42 2HG GLN 42 -7.523 -4.897 5.172 333 HG3 GLN 42 3HG GLN 42 -7.236 -3.201 5.555 334 HE21 GLN 42 1HE2 GLN 42 -5.153 -3.663 6.313 335 HE22 GLN 42 2HE2 GLN 42 -4.870 -4.448 7.827 336 H VAL 43 H VAL 43 -8.467 -3.185 3.083 337 HA VAL 43 HA VAL 43 -7.652 -0.460 3.465 338 HB VAL 43 HB VAL 43 -7.174 -2.466 1.211 339 HG11 VAL 43 1HG1 VAL 43 -6.132 0.396 1.271 340 HG12 VAL 43 2HG1 VAL 43 -7.301 -0.258 0.122 341 HG13 VAL 43 3HG1 VAL 43 -5.645 -0.860 0.127 342 HG21 VAL 43 1HG2 VAL 43 -4.827 -2.340 1.970 343 HG22 VAL 43 2HG2 VAL 43 -5.892 -2.778 3.308 344 HG23 VAL 43 3HG2 VAL 43 -5.268 -1.131 3.181 345 H ARG 44 H ARG 44 -10.005 -2.073 1.270 346 HA ARG 44 HA ARG 44 -10.739 0.381 -0.035 347 HB2 ARG 44 2HB ARG 44 -12.543 -0.896 -1.140 348 HB3 ARG 44 3HB ARG 44 -10.987 -1.690 -1.268 349 HG2 ARG 44 2HG ARG 44 -12.449 -3.454 -0.920 350 HG3 ARG 44 3HG ARG 44 -11.790 -3.173 0.689 351 HD2 ARG 44 2HD ARG 44 -14.194 -3.611 0.782 352 HD3 ARG 44 3HD ARG 44 -13.854 -1.967 1.325 353 HE ARG 44 HE ARG 44 -14.448 -1.617 -1.294 354 HH11 ARG 44 1HH1 ARG 44 -16.209 -3.294 1.268 355 HH12 ARG 44 2HH1 ARG 44 -17.765 -2.980 0.563 356 HH21 ARG 44 1HH2 ARG 44 -16.514 -1.184 -2.184 357 HH22 ARG 44 2HH2 ARG 44 -17.932 -1.790 -1.384 358 H GLU 45 H GLU 45 -11.726 -1.121 2.932 359 HA GLU 45 HA GLU 45 -14.123 0.470 3.278 360 HB2 GLU 45 2HB GLU 45 -13.779 -1.751 4.383 361 HB3 GLU 45 3HB GLU 45 -12.474 -1.057 5.337 362 HG2 GLU 45 2HG GLU 45 -14.484 -1.216 6.678 363 HG3 GLU 45 3HG GLU 45 -14.082 0.479 6.415 364 H HIS 46 H HIS 46 -10.795 0.537 4.588 365 HA HIS 46 HA HIS 46 -11.014 2.888 6.160 366 HB2 HIS 46 2HB HIS 46 -9.214 1.034 6.270 367 HB3 HIS 46 3HB HIS 46 -8.442 1.821 4.905 368 HD1 HIS 46 HD1 HIS 46 -8.505 1.774 8.501 369 HD2 HIS 46 HD2 HIS 46 -7.573 4.589 5.597 370 HE1 HIS 46 HE1 HIS 46 -7.213 3.563 9.696 371 HE2 HIS 46 HE2 HIS 46 -6.922 5.369 7.975 372 H ALA 47 H ALA 47 -10.491 2.329 2.805 373 HA ALA 47 HA ALA 47 -9.349 4.653 1.806 374 HB1 ALA 47 1HB ALA 47 -9.777 2.619 0.510 375 HB2 ALA 47 2HB ALA 47 -10.470 4.029 -0.292 376 HB3 ALA 47 3HB ALA 47 -11.514 2.909 0.596 377 H ARG 48 H ARG 48 -12.709 3.939 2.635 378 HA ARG 48 HA ARG 48 -13.973 6.133 1.418 379 HB2 ARG 48 2HB ARG 48 -14.822 4.437 3.800 380 HB3 ARG 48 3HB ARG 48 -15.874 5.599 2.987 381 HG2 ARG 48 2HG ARG 48 -15.705 4.340 0.893 382 HG3 ARG 48 3HG ARG 48 -14.609 3.180 1.650 383 HD2 ARG 48 2HD ARG 48 -16.360 2.389 3.123 384 HD3 ARG 48 3HD ARG 48 -17.449 3.683 2.607 385 HE ARG 48 HE ARG 48 -17.241 2.577 0.307 386 HH11 ARG 48 1HH1 ARG 48 -17.174 0.748 3.319 387 HH12 ARG 48 2HH1 ARG 48 -17.846 -0.678 2.591 388 HH21 ARG 48 1HH2 ARG 48 -18.199 0.740 -0.612 389 HH22 ARG 48 2HH2 ARG 48 -18.427 -0.682 0.365 390 H GLU 49 H GLU 49 -12.224 5.934 4.409 391 HA GLU 49 HA GLU 49 -13.196 8.290 5.688 392 HB2 GLU 49 2HB GLU 49 -10.529 6.828 5.970 393 HB3 GLU 49 3HB GLU 49 -11.087 8.104 7.050 394 HG2 GLU 49 2HG GLU 49 -12.979 6.723 7.760 395 HG3 GLU 49 3HG GLU 49 -12.504 5.457 6.628 396 H LEU 50 H LEU 50 -10.397 7.636 3.585 397 HA LEU 50 HA LEU 50 -9.419 10.349 3.531 398 HB2 LEU 50 2HB LEU 50 -8.746 7.965 1.747 399 HB3 LEU 50 3HB LEU 50 -7.852 9.479 1.793 400 HG LEU 50 HG LEU 50 -8.086 7.495 4.093 401 HD11 LEU 50 1HD1 LEU 50 -6.670 6.673 2.269 402 HD12 LEU 50 2HD1 LEU 50 -5.701 7.058 3.687 403 HD13 LEU 50 3HD1 LEU 50 -5.722 8.161 2.308 404 HD21 LEU 50 1HD2 LEU 50 -6.420 8.909 5.248 405 HD22 LEU 50 2HD2 LEU 50 -7.923 9.781 4.960 406 HD23 LEU 50 3HD2 LEU 50 -6.513 10.095 3.943 407 H GLN 51 H GLN 51 -11.501 8.395 1.515 408 HA GLN 51 HA GLN 51 -11.748 10.114 -0.741 409 HB2 GLN 51 2HB GLN 51 -12.320 7.741 -0.912 410 HB3 GLN 51 3HB GLN 51 -13.539 7.887 0.351 411 HG2 GLN 51 2HG GLN 51 -14.897 9.328 -1.124 412 HG3 GLN 51 3HG GLN 51 -13.673 9.194 -2.386 413 HE21 GLN 51 1HE2 GLN 51 -16.114 7.454 -0.571 414 HE22 GLN 51 2HE2 GLN 51 -16.275 6.133 -1.672 415 H LYS 52 H LYS 52 -13.565 9.729 2.285 416 HA LYS 52 HA LYS 52 -15.651 11.571 1.888 417 HB2 LYS 52 2HB LYS 52 -15.666 10.019 3.765 418 HB3 LYS 52 3HB LYS 52 -14.179 10.699 4.413 419 HG2 LYS 52 2HG LYS 52 -15.410 12.836 4.865 420 HG3 LYS 52 3HG LYS 52 -16.900 12.052 4.326 421 HD2 LYS 52 2HD LYS 52 -16.733 10.410 6.145 422 HD3 LYS 52 3HD LYS 52 -15.164 11.062 6.627 423 HE2 LYS 52 2HE LYS 52 -16.286 13.233 7.162 424 HE3 LYS 52 3HE LYS 52 -17.841 12.481 6.794 425 HZ1 LYS 52 1HZ LYS 52 -17.331 12.493 9.174 426 HZ2 LYS 52 2HZ LYS 52 -15.959 11.548 8.903 427 HZ3 LYS 52 3HZ LYS 52 -17.495 10.919 8.584 428 H GLN 53 H GLN 53 -12.367 11.984 3.119 429 HA GLN 53 HA GLN 53 -12.587 14.787 3.724 430 HB2 GLN 53 2HB GLN 53 -10.168 12.953 3.483 431 HB3 GLN 53 3HB GLN 53 -10.116 14.601 4.101 432 HG2 GLN 53 2HG GLN 53 -11.581 13.968 5.968 433 HG3 GLN 53 3HG GLN 53 -11.684 12.324 5.335 434 HE21 GLN 53 1HE2 GLN 53 -9.887 10.951 5.527 435 HE22 GLN 53 2HE2 GLN 53 -8.569 11.299 6.588 436 H GLY 54 H GLY 54 -11.626 12.894 0.930 437 HA2 GLY 54 2HA GLY 54 -11.101 13.463 -1.226 438 HA3 GLY 54 3HA GLY 54 -11.605 15.104 -0.860 439 H ILE 55 H ILE 55 -9.033 13.351 0.807 440 HA ILE 55 HA ILE 55 -7.045 15.359 0.154 441 HB ILE 55 HB ILE 55 -6.720 12.696 1.634 442 HG12 ILE 55 2HG1 ILE 55 -7.028 15.524 2.752 443 HG13 ILE 55 3HG1 ILE 55 -8.272 14.283 2.779 444 HG21 ILE 55 1HG2 ILE 55 -4.579 13.627 2.470 445 HG22 ILE 55 2HG2 ILE 55 -4.809 15.059 1.466 446 HG23 ILE 55 3HG2 ILE 55 -4.573 13.482 0.710 447 HD11 ILE 55 1HD1 ILE 55 -5.640 14.197 4.254 448 HD12 ILE 55 2HD1 ILE 55 -6.862 12.920 4.259 449 HD13 ILE 55 3HD1 ILE 55 -7.238 14.503 4.937 450 H HIS 56 H HIS 56 -6.320 15.317 -1.959 451 HA HIS 56 HA HIS 56 -5.835 12.797 -3.345 452 HB2 HIS 56 2HB HIS 56 -6.653 14.702 -4.684 453 HB3 HIS 56 3HB HIS 56 -5.259 15.664 -4.198 454 HD1 HIS 56 HD1 HIS 56 -6.240 12.830 -6.477 455 HD2 HIS 56 HD2 HIS 56 -2.847 15.058 -5.585 456 HE1 HIS 56 HE1 HIS 56 -4.536 12.213 -8.225 457 HE2 HIS 56 HE2 HIS 56 -2.572 13.706 -7.772 458 H PHE 57 H PHE 57 -4.132 11.701 -2.599 459 HA PHE 57 HA PHE 57 -1.484 13.023 -2.429 460 HB2 PHE 57 2HB PHE 57 -0.807 10.781 -1.325 461 HB3 PHE 57 3HB PHE 57 -1.836 11.842 -0.372 462 HD1 PHE 57 HD1 PHE 57 -1.709 8.646 -2.236 463 HD2 PHE 57 HD2 PHE 57 -4.157 11.250 0.118 464 HE1 PHE 57 HE1 PHE 57 -3.385 6.861 -1.987 465 HE2 PHE 57 HE2 PHE 57 -5.823 9.455 0.360 466 HZ PHE 57 HZ PHE 57 -5.433 7.283 -0.700 467 H GLU 58 H GLU 58 0.147 12.227 -3.788 468 HA GLU 58 HA GLU 58 -0.664 10.248 -5.836 469 HB2 GLU 58 2HB GLU 58 -1.048 12.647 -6.604 470 HB3 GLU 58 3HB GLU 58 0.692 12.903 -6.499 471 HG2 GLU 58 2HG GLU 58 1.106 11.261 -8.221 472 HG3 GLU 58 3HG GLU 58 -0.591 10.771 -8.238 473 H VAL 59 H VAL 59 0.823 8.769 -6.172 474 HA VAL 59 HA VAL 59 3.241 8.562 -4.731 475 HB VAL 59 HB VAL 59 2.241 7.001 -7.170 476 HG11 VAL 59 1HG1 VAL 59 4.503 6.275 -5.270 477 HG12 VAL 59 2HG1 VAL 59 4.678 6.747 -6.961 478 HG13 VAL 59 3HG1 VAL 59 3.858 5.240 -6.548 479 HG21 VAL 59 1HG2 VAL 59 0.746 6.860 -5.217 480 HG22 VAL 59 2HG2 VAL 59 2.093 6.346 -4.198 481 HG23 VAL 59 3HG2 VAL 59 1.530 5.305 -5.510 482 H LYS 60 H LYS 60 5.284 9.012 -5.265 483 HA LYS 60 HA LYS 60 5.854 10.543 -7.746 484 HB2 LYS 60 2HB LYS 60 6.921 10.870 -4.906 485 HB3 LYS 60 3HB LYS 60 7.571 11.731 -6.293 486 HG2 LYS 60 2HG LYS 60 4.701 11.976 -5.341 487 HG3 LYS 60 3HG LYS 60 6.003 13.053 -4.840 488 HD2 LYS 60 2HD LYS 60 4.962 12.678 -7.671 489 HD3 LYS 60 3HD LYS 60 4.690 14.079 -6.633 490 HE2 LYS 60 2HE LYS 60 7.332 13.174 -7.832 491 HE3 LYS 60 3HE LYS 60 6.426 14.636 -8.227 492 HZ1 LYS 60 1HZ LYS 60 6.866 15.485 -6.032 493 HZ2 LYS 60 2HZ LYS 60 8.318 15.078 -6.786 494 HZ3 LYS 60 3HZ LYS 60 7.670 14.062 -5.585 495 H ARG 61 H ARG 61 7.286 8.607 -5.147 496 HA ARG 61 HA ARG 61 9.258 7.418 -6.983 497 HB2 ARG 61 2HB ARG 61 10.310 9.420 -5.988 498 HB3 ARG 61 3HB ARG 61 9.856 8.903 -4.368 499 HG2 ARG 61 2HG ARG 61 11.400 6.982 -4.538 500 HG3 ARG 61 3HG ARG 61 11.823 7.462 -6.183 501 HD2 ARG 61 2HD ARG 61 12.344 9.086 -3.662 502 HD3 ARG 61 3HD ARG 61 13.547 8.185 -4.590 503 HE ARG 61 HE ARG 61 12.302 9.998 -6.320 504 HH11 ARG 61 1HH1 ARG 61 14.467 10.082 -3.536 505 HH12 ARG 61 2HH1 ARG 61 15.210 11.574 -4.017 506 HH21 ARG 61 1HH2 ARG 61 13.299 11.946 -6.954 507 HH22 ARG 61 2HH2 ARG 61 14.547 12.631 -5.957 508 H VAL 62 H VAL 62 9.176 5.262 -6.651 509 HA VAL 62 HA VAL 62 8.355 4.192 -4.001 510 HB VAL 62 HB VAL 62 8.378 2.698 -6.689 511 HG11 VAL 62 1HG1 VAL 62 7.066 0.967 -5.486 512 HG12 VAL 62 2HG1 VAL 62 7.232 1.874 -3.981 513 HG13 VAL 62 3HG1 VAL 62 8.660 1.186 -4.759 514 HG21 VAL 62 1HG2 VAL 62 6.018 3.877 -5.185 515 HG22 VAL 62 2HG2 VAL 62 5.920 2.890 -6.647 516 HG23 VAL 62 3HG2 VAL 62 6.690 4.477 -6.703 517 H GLU 63 H GLU 63 9.983 3.329 -2.816 518 HA GLU 63 HA GLU 63 12.378 2.185 -4.147 519 HB2 GLU 63 2HB GLU 63 12.313 3.933 -1.632 520 HB3 GLU 63 3HB GLU 63 13.742 3.085 -2.221 521 HG2 GLU 63 2HG GLU 63 13.774 4.459 -4.235 522 HG3 GLU 63 3HG GLU 63 12.265 5.235 -3.757 523 H VAL 64 H VAL 64 12.128 0.038 -3.743 524 HA VAL 64 HA VAL 64 10.909 -0.858 -1.209 525 HB VAL 64 HB VAL 64 9.900 -1.641 -3.346 526 HG11 VAL 64 1HG1 VAL 64 12.477 -3.159 -3.849 527 HG12 VAL 64 2HG1 VAL 64 11.867 -1.795 -4.786 528 HG13 VAL 64 3HG1 VAL 64 10.977 -3.319 -4.772 529 HG21 VAL 64 1HG2 VAL 64 9.610 -2.964 -1.328 530 HG22 VAL 64 2HG2 VAL 64 11.090 -3.864 -1.670 531 HG23 VAL 64 3HG2 VAL 64 9.695 -4.014 -2.744 532 H THR 65 H THR 65 12.004 -2.178 0.231 533 HA THR 65 HA THR 65 14.699 -3.191 -0.350 534 HB THR 65 HB THR 65 15.115 -0.942 0.617 535 HG1 THR 65 HG1 THR 65 15.857 -2.470 2.790 536 HG21 THR 65 1HG2 THR 65 13.632 -1.927 3.088 537 HG22 THR 65 2HG2 THR 65 13.070 -0.662 1.992 538 HG23 THR 65 3HG2 THR 65 14.529 -0.413 2.954 539 H THR 66 H THR 66 15.463 -4.562 1.630 540 HA THR 66 HA THR 66 13.163 -5.914 2.930 541 HB THR 66 HB THR 66 14.466 -8.082 2.764 542 HG1 THR 66 HG1 THR 66 16.037 -7.984 0.890 543 HG21 THR 66 1HG2 THR 66 13.917 -8.545 0.418 544 HG22 THR 66 2HG2 THR 66 13.712 -6.822 0.107 545 HG23 THR 66 3HG2 THR 66 12.610 -7.658 1.209 546 H ASP 67 H ASP 67 13.535 -6.769 4.976 547 HA ASP 67 HA ASP 67 16.090 -6.214 6.335 548 HB2 ASP 67 2HB ASP 67 14.532 -4.327 6.820 549 HB3 ASP 67 3HB ASP 67 13.320 -5.465 7.399 550 H GLY 68 H GLY 68 16.684 -8.304 6.560 551 HA2 GLY 68 2HA GLY 68 16.654 -10.537 7.102 552 HA3 GLY 68 3HA GLY 68 15.175 -10.256 8.012 553 H ASN 69 H ASN 69 13.269 -10.884 7.137 554 HA ASN 69 HA ASN 69 13.078 -11.425 4.217 555 HB2 ASN 69 2HB ASN 69 11.957 -12.942 6.588 556 HB3 ASN 69 3HB ASN 69 11.024 -12.917 5.100 557 HD21 ASN 69 1HD2 ASN 69 14.095 -13.878 6.507 558 HD22 ASN 69 2HD2 ASN 69 14.462 -15.082 5.326 559 H THR 70 H THR 70 12.170 -9.322 6.627 560 HA THR 70 HA THR 70 9.398 -8.926 5.805 561 HB THR 70 HB THR 70 11.049 -7.354 7.845 562 HG1 THR 70 HG1 THR 70 9.626 -9.792 8.044 563 HG21 THR 70 1HG2 THR 70 8.969 -6.205 7.162 564 HG22 THR 70 2HG2 THR 70 8.858 -6.786 8.824 565 HG23 THR 70 3HG2 THR 70 8.039 -7.662 7.530 566 H VAL 71 H VAL 71 8.952 -7.644 4.142 567 HA VAL 71 HA VAL 71 11.037 -6.016 2.899 568 HB VAL 71 HB VAL 71 8.205 -6.587 1.859 569 HG11 VAL 71 1HG1 VAL 71 9.179 -6.013 -0.344 570 HG12 VAL 71 2HG1 VAL 71 10.728 -5.663 0.426 571 HG13 VAL 71 3HG1 VAL 71 9.317 -4.668 0.793 572 HG21 VAL 71 1HG2 VAL 71 10.768 -8.135 1.318 573 HG22 VAL 71 2HG2 VAL 71 9.218 -8.404 0.514 574 HG23 VAL 71 3HG2 VAL 71 9.379 -8.711 2.246 575 H ASN 72 H ASN 72 11.025 -3.822 2.914 576 HA ASN 72 HA ASN 72 8.725 -2.332 4.066 577 HB2 ASN 72 2HB ASN 72 11.730 -1.781 4.297 578 HB3 ASN 72 3HB ASN 72 10.476 -0.675 4.849 579 HD21 ASN 72 1HD2 ASN 72 11.973 -3.818 5.424 580 HD22 ASN 72 2HD2 ASN 72 11.398 -3.998 7.042 581 H VAL 73 H VAL 73 7.764 -1.160 2.526 582 HA VAL 73 HA VAL 73 9.269 -0.255 0.144 583 HB VAL 73 HB VAL 73 6.229 -0.275 0.567 584 HG11 VAL 73 1HG1 VAL 73 7.877 0.194 -1.956 585 HG12 VAL 73 2HG1 VAL 73 6.935 1.407 -1.084 586 HG13 VAL 73 3HG1 VAL 73 6.116 0.070 -1.892 587 HG21 VAL 73 1HG2 VAL 73 6.212 -2.259 -0.919 588 HG22 VAL 73 2HG2 VAL 73 7.121 -2.564 0.563 589 HG23 VAL 73 3HG2 VAL 73 7.978 -2.247 -0.946 590 H THR 74 H THR 74 10.241 1.613 0.666 591 HA THR 74 HA THR 74 8.879 3.758 2.116 592 HB THR 74 HB THR 74 11.704 3.550 0.971 593 HG1 THR 74 HG1 THR 74 11.244 3.581 3.732 594 HG21 THR 74 1HG2 THR 74 12.251 5.480 2.411 595 HG22 THR 74 2HG2 THR 74 10.553 5.630 2.873 596 HG23 THR 74 3HG2 THR 74 11.045 5.915 1.200 597 H VAL 75 H VAL 75 7.488 4.873 0.889 598 HA VAL 75 HA VAL 75 8.161 5.600 -1.899 599 HB VAL 75 HB VAL 75 6.556 3.842 -2.111 600 HG11 VAL 75 1HG1 VAL 75 4.795 5.197 -0.066 601 HG12 VAL 75 2HG1 VAL 75 5.745 3.731 0.180 602 HG13 VAL 75 3HG1 VAL 75 4.402 3.727 -0.964 603 HG21 VAL 75 1HG2 VAL 75 5.027 6.446 -2.417 604 HG22 VAL 75 2HG2 VAL 75 4.616 4.912 -3.188 605 HG23 VAL 75 3HG2 VAL 75 6.118 5.735 -3.609 606 H GLU 76 H GLU 76 8.141 7.712 -2.248 607 HA GLU 76 HA GLU 76 7.113 9.664 -0.391 608 HB2 GLU 76 2HB GLU 76 9.206 10.026 -1.692 609 HB3 GLU 76 3HB GLU 76 8.297 9.971 -3.200 610 HG2 GLU 76 2HG GLU 76 7.039 11.993 -2.457 611 HG3 GLU 76 3HG GLU 76 8.054 12.075 -1.021 612 H LEU 77 H LEU 77 5.011 10.247 -0.354 613 HA LEU 77 HA LEU 77 3.431 10.362 -2.865 614 HB2 LEU 77 2HB LEU 77 2.439 10.022 0.005 615 HB3 LEU 77 3HB LEU 77 1.403 10.318 -1.380 616 HG LEU 77 HG LEU 77 2.348 8.085 -2.350 617 HD11 LEU 77 1HD1 LEU 77 3.154 7.696 0.532 618 HD12 LEU 77 2HD1 LEU 77 4.237 7.798 -0.857 619 HD13 LEU 77 3HD1 LEU 77 3.114 6.449 -0.714 620 HD21 LEU 77 1HD2 LEU 77 0.596 8.023 0.124 621 HD22 LEU 77 2HD2 LEU 77 0.680 6.779 -1.128 622 HD23 LEU 77 3HD2 LEU 77 0.054 8.379 -1.519 623 H GLU 78 H GLU 78 3.193 12.390 -3.544 624 HA GLU 78 HA GLU 78 3.566 14.668 -1.754 625 HB2 GLU 78 2HB GLU 78 4.576 14.472 -4.094 626 HB3 GLU 78 3HB GLU 78 2.961 14.689 -4.747 627 HG2 GLU 78 2HG GLU 78 2.841 16.919 -3.781 628 HG3 GLU 78 3HG GLU 78 4.407 16.696 -3.001 629 H GLU 79 H GLU 79 1.843 15.015 -0.531 630 HA GLU 79 HA GLU 79 -0.907 14.599 -1.405 631 HB2 GLU 79 2HB GLU 79 0.097 15.599 1.299 632 HB3 GLU 79 3HB GLU 79 -1.512 14.990 0.922 633 HG2 GLU 79 2HG GLU 79 -0.434 12.744 0.431 634 HG3 GLU 79 3HG GLU 79 1.069 13.419 1.063 635 H THR 80 H THR 80 -2.116 16.209 -2.215 636 HA THR 80 HA THR 80 -1.535 19.039 -1.554 637 HB THR 80 HB THR 80 -3.001 17.938 -4.006 638 HG1 THR 80 HG1 THR 80 -0.327 18.243 -3.445 639 HG21 THR 80 1HG2 THR 80 -3.631 20.263 -3.422 640 HG22 THR 80 2HG2 THR 80 -2.678 20.220 -4.908 641 HG23 THR 80 3HG2 THR 80 -1.926 20.723 -3.393 642 H THR 81 H THR 81 -2.908 19.574 0.044 643 HA THR 81 HA THR 81 -5.779 19.127 -0.174 644 HB THR 81 HB THR 81 -5.099 17.128 1.075 645 HG1 THR 81 HG1 THR 81 -7.025 18.295 1.719 646 HG21 THR 81 1HG2 THR 81 -4.017 17.249 3.291 647 HG22 THR 81 2HG2 THR 81 -3.794 18.990 3.096 648 HG23 THR 81 3HG2 THR 81 -2.959 17.864 2.020 649 H GLY 82 H GLY 82 -6.949 20.780 0.729 650 HA2 GLY 82 2HA GLY 82 -7.447 22.808 1.688 651 HA3 GLY 82 3HA GLY 82 -6.017 22.624 2.687 652 H GLY 83 H GLY 83 -5.405 22.457 -0.703 653 HA2 GLY 83 2HA GLY 83 -4.703 24.141 -2.220 654 HA3 GLY 83 3HA GLY 83 -4.589 25.293 -0.892 655 H THR 84 H THR 84 -3.112 23.361 0.835 656 HA THR 84 HA THR 84 -0.443 24.045 -0.104 657 HB THR 84 HB THR 84 0.188 22.989 2.197 658 HG1 THR 84 HG1 THR 84 -2.041 23.312 3.460 659 HG21 THR 84 1HG2 THR 84 0.065 25.443 1.836 660 HG22 THR 84 2HG2 THR 84 -0.492 24.992 3.449 661 HG23 THR 84 3HG2 THR 84 -1.664 25.402 2.196 662 H THR 85 H THR 85 1.238 22.613 -0.521 663 HA THR 85 HA THR 85 0.555 19.756 -0.936 664 HB THR 85 HB THR 85 2.434 21.431 -2.675 665 HG1 THR 85 HG1 THR 85 0.165 22.014 -2.826 666 HG21 THR 85 1HG2 THR 85 2.265 19.536 -4.250 667 HG22 THR 85 2HG2 THR 85 1.252 18.656 -3.104 668 HG23 THR 85 3HG2 THR 85 2.936 19.006 -2.707 669 H THR 86 H THR 86 1.919 18.301 0.007 670 HA THR 86 HA THR 86 4.634 19.042 0.863 671 HB THR 86 HB THR 86 2.476 17.956 2.749 672 HG1 THR 86 HG1 THR 86 3.780 20.459 2.486 673 HG21 THR 86 1HG2 THR 86 4.665 16.923 3.292 674 HG22 THR 86 2HG2 THR 86 4.178 18.073 4.538 675 HG23 THR 86 3HG2 THR 86 5.410 18.524 3.357 676 H ASN 87 H ASN 87 6.033 17.370 0.527 677 HA ASN 87 HA ASN 87 5.094 14.793 -0.436 678 HB2 ASN 87 2HB ASN 87 7.920 15.837 0.094 679 HB3 ASN 87 3HB ASN 87 7.543 14.294 -0.674 680 HD21 ASN 87 1HD2 ASN 87 6.863 14.281 -2.819 681 HD22 ASN 87 2HD2 ASN 87 6.868 15.686 -3.814 682 H THR 88 H THR 88 4.170 13.648 1.169 683 HA THR 88 HA THR 88 5.594 13.123 3.694 684 HB THR 88 HB THR 88 2.736 12.434 2.854 685 HG1 THR 88 HG1 THR 88 2.220 14.309 3.656 686 HG21 THR 88 1HG2 THR 88 3.555 10.841 4.542 687 HG22 THR 88 2HG2 THR 88 2.377 11.944 5.261 688 HG23 THR 88 3HG2 THR 88 4.101 12.177 5.559 689 H THR 89 H THR 89 6.736 11.307 3.844 690 HA THR 89 HA THR 89 6.608 9.273 1.759 691 HB THR 89 HB THR 89 8.497 9.488 4.154 692 HG1 THR 89 HG1 THR 89 8.569 11.297 2.622 693 HG21 THR 89 1HG2 THR 89 8.749 7.918 1.556 694 HG22 THR 89 2HG2 THR 89 8.433 7.227 3.151 695 HG23 THR 89 3HG2 THR 89 9.975 8.020 2.821 696 H TYR 90 H TYR 90 5.444 7.450 2.035 697 HA TYR 90 HA TYR 90 4.669 6.525 4.739 698 HB2 TYR 90 2HB TYR 90 3.529 5.941 1.963 699 HB3 TYR 90 3HB TYR 90 3.071 5.025 3.394 700 HD1 TYR 90 HD1 TYR 90 3.217 8.630 2.232 701 HD2 TYR 90 HD2 TYR 90 1.129 5.698 4.529 702 HE1 TYR 90 HE1 TYR 90 1.442 10.263 2.714 703 HE2 TYR 90 HE2 TYR 90 -0.644 7.330 5.006 704 HH TYR 90 HH TYR 90 -0.884 9.817 5.101 705 H GLU 91 H GLU 91 5.748 4.812 5.513 706 HA GLU 91 HA GLU 91 7.279 3.062 3.677 707 HB2 GLU 91 2HB GLU 91 7.766 3.617 6.646 708 HB3 GLU 91 3HB GLU 91 8.730 2.558 5.620 709 HG2 GLU 91 2HG GLU 91 9.390 4.510 4.236 710 HG3 GLU 91 3HG GLU 91 8.436 5.560 5.285 711 H LEU 92 H LEU 92 5.994 1.369 3.248 712 HA LEU 92 HA LEU 92 4.123 0.324 5.260 713 HB2 LEU 92 2HB LEU 92 4.364 -0.226 2.268 714 HB3 LEU 92 3HB LEU 92 3.191 -0.991 3.327 715 HG LEU 92 HG LEU 92 2.306 1.375 3.842 716 HD11 LEU 92 1HD1 LEU 92 2.723 3.121 2.196 717 HD12 LEU 92 2HD1 LEU 92 3.913 2.101 1.385 718 HD13 LEU 92 3HD1 LEU 92 4.206 2.667 3.031 719 HD21 LEU 92 1HD2 LEU 92 0.902 1.449 1.834 720 HD22 LEU 92 2HD2 LEU 92 1.080 -0.200 2.431 721 HD23 LEU 92 3HD2 LEU 92 1.993 0.326 1.016 722 H ARG 93 H ARG 93 4.964 -1.174 6.518 723 HA ARG 93 HA ARG 93 7.162 -2.895 5.710 724 HB2 ARG 93 2HB ARG 93 7.085 -1.759 7.967 725 HB3 ARG 93 3HB ARG 93 5.670 -2.720 8.375 726 HG2 ARG 93 2HG ARG 93 7.116 -4.787 8.029 727 HG3 ARG 93 3HG ARG 93 8.500 -3.689 7.918 728 HD2 ARG 93 2HD ARG 93 8.332 -4.541 10.198 729 HD3 ARG 93 3HD ARG 93 7.928 -2.820 10.203 730 HE ARG 93 HE ARG 93 5.617 -4.515 9.937 731 HH11 ARG 93 1HH1 ARG 93 7.790 -3.083 12.338 732 HH12 ARG 93 2HH1 ARG 93 6.621 -3.191 13.617 733 HH21 ARG 93 1HH2 ARG 93 4.139 -4.704 11.631 734 HH22 ARG 93 2HH2 ARG 93 4.545 -4.111 13.218 735 H PHE 94 H PHE 94 6.360 -4.403 4.347 736 HA PHE 94 HA PHE 94 3.962 -5.926 4.930 737 HB2 PHE 94 2HB PHE 94 5.995 -6.030 2.656 738 HB3 PHE 94 3HB PHE 94 4.644 -7.151 2.786 739 HD1 PHE 94 HD1 PHE 94 5.600 -3.661 2.105 740 HD2 PHE 94 HD2 PHE 94 2.342 -6.411 2.395 741 HE1 PHE 94 HE1 PHE 94 4.133 -2.048 0.978 742 HE2 PHE 94 HE2 PHE 94 0.878 -4.789 1.264 743 HZ PHE 94 HZ PHE 94 1.772 -2.605 0.557 744 H GLU 95 H GLU 95 4.109 -7.332 6.446 745 HA GLU 95 HA GLU 95 6.565 -8.740 7.156 746 HB2 GLU 95 2HB GLU 95 3.822 -8.672 8.463 747 HB3 GLU 95 3HB GLU 95 5.236 -9.466 9.143 748 HG2 GLU 95 2HG GLU 95 6.298 -7.440 9.642 749 HG3 GLU 95 3HG GLU 95 5.344 -6.525 8.479 750 H VAL 96 H VAL 96 6.947 -10.680 6.349 751 HA VAL 96 HA VAL 96 4.999 -11.871 4.540 752 HB VAL 96 HB VAL 96 6.856 -13.116 3.604 753 HG11 VAL 96 1HG1 VAL 96 8.370 -11.256 2.970 754 HG12 VAL 96 2HG1 VAL 96 7.714 -10.272 4.283 755 HG13 VAL 96 3HG1 VAL 96 6.676 -10.764 2.939 756 HG21 VAL 96 1HG2 VAL 96 8.017 -13.803 5.666 757 HG22 VAL 96 2HG2 VAL 96 8.556 -12.148 5.945 758 HG23 VAL 96 3HG2 VAL 96 9.153 -13.047 4.547 759 H ASP 97 H ASP 97 4.244 -13.940 4.651 760 HA ASP 97 HA ASP 97 4.791 -15.585 7.063 761 HB2 ASP 97 2HB ASP 97 2.595 -14.424 7.279 762 HB3 ASP 97 3HB ASP 97 2.087 -15.081 5.730 763 H GLY 98 H GLY 98 6.325 -16.646 5.699 764 HA2 GLY 98 2HA GLY 98 7.056 -18.332 4.336 765 HA3 GLY 98 3HA GLY 98 5.388 -18.851 4.152 766 H ASP 99 H ASP 99 4.865 -18.923 2.051 767 HA ASP 99 HA ASP 99 6.261 -17.368 0.044 768 HB2 ASP 99 2HB ASP 99 3.956 -19.336 -0.243 769 HB3 ASP 99 3HB ASP 99 4.852 -18.628 -1.586 770 H THR 100 H THR 100 3.631 -16.583 1.967 771 HA THR 100 HA THR 100 2.679 -14.576 0.011 772 HB THR 100 HB THR 100 0.810 -16.120 1.883 773 HG1 THR 100 HG1 THR 100 1.645 -16.615 -0.752 774 HG21 THR 100 1HG2 THR 100 -0.983 -15.141 0.499 775 HG22 THR 100 2HG2 THR 100 0.211 -14.250 -0.447 776 HG23 THR 100 3HG2 THR 100 -0.026 -13.872 1.264 777 H ILE 101 H ILE 101 2.535 -12.559 0.842 778 HA ILE 101 HA ILE 101 3.249 -11.969 3.584 779 HB ILE 101 HB ILE 101 2.161 -10.081 1.429 780 HG12 ILE 101 2HG1 ILE 101 5.089 -10.700 2.039 781 HG13 ILE 101 3HG1 ILE 101 4.206 -11.314 0.648 782 HG21 ILE 101 1HG2 ILE 101 3.260 -8.303 2.716 783 HG22 ILE 101 2HG2 ILE 101 3.813 -9.477 3.911 784 HG23 ILE 101 3HG2 ILE 101 2.087 -9.159 3.717 785 HD11 ILE 101 1HD1 ILE 101 4.827 -8.418 1.213 786 HD12 ILE 101 2HD1 ILE 101 3.911 -9.024 -0.172 787 HD13 ILE 101 3HD1 ILE 101 5.607 -9.462 0.025 788 H ARG 102 H ARG 102 1.753 -11.565 5.245 789 HA ARG 102 HA ARG 102 -1.134 -11.515 4.521 790 HB2 ARG 102 2HB ARG 102 0.103 -12.823 6.982 791 HB3 ARG 102 3HB ARG 102 -1.620 -12.723 6.640 792 HG2 ARG 102 2HG ARG 102 0.406 -14.211 4.946 793 HG3 ARG 102 3HG ARG 102 -0.648 -14.954 6.147 794 HD2 ARG 102 2HD ARG 102 -1.670 -13.444 3.712 795 HD3 ARG 102 3HD ARG 102 -1.420 -15.191 3.758 796 HE ARG 102 HE ARG 102 -3.080 -14.370 5.918 797 HH11 ARG 102 1HH1 ARG 102 -3.209 -14.927 2.439 798 HH12 ARG 102 2HH1 ARG 102 -4.913 -15.280 2.443 799 HH21 ARG 102 1HH2 ARG 102 -5.321 -14.794 5.898 800 HH22 ARG 102 2HH2 ARG 102 -6.109 -15.206 4.395 801 H ARG 103 H ARG 103 1.370 -9.744 5.944 802 HA ARG 103 HA ARG 103 -0.543 -7.999 7.390 803 HB2 ARG 103 2HB ARG 103 2.147 -9.053 8.323 804 HB3 ARG 103 3HB ARG 103 1.519 -7.543 8.963 805 HG2 ARG 103 2HG ARG 103 0.183 -10.253 9.179 806 HG3 ARG 103 3HG ARG 103 1.078 -9.429 10.457 807 HD2 ARG 103 2HD ARG 103 -0.626 -7.513 10.165 808 HD3 ARG 103 3HD ARG 103 -1.583 -8.672 9.237 809 HE ARG 103 HE ARG 103 -1.337 -10.097 11.382 810 HH11 ARG 103 1HH1 ARG 103 -1.679 -6.591 11.314 811 HH12 ARG 103 2HH1 ARG 103 -2.455 -6.509 12.866 812 HH21 ARG 103 1HH2 ARG 103 -2.370 -9.988 13.397 813 HH22 ARG 103 2HH2 ARG 103 -2.849 -8.457 14.055 814 H VAL 104 H VAL 104 -0.116 -5.810 7.379 815 HA VAL 104 HA VAL 104 2.266 -4.709 6.083 816 HB VAL 104 HB VAL 104 0.771 -4.810 4.174 817 HG11 VAL 104 1HG1 VAL 104 -1.388 -5.074 5.302 818 HG12 VAL 104 2HG1 VAL 104 -1.467 -3.790 4.095 819 HG13 VAL 104 3HG1 VAL 104 -1.354 -3.382 5.809 820 HG21 VAL 104 1HG2 VAL 104 0.821 -1.950 5.227 821 HG22 VAL 104 2HG2 VAL 104 0.580 -2.426 3.543 822 HG23 VAL 104 3HG2 VAL 104 2.118 -2.757 4.340 823 H THR 105 H THR 105 3.018 -3.119 7.370 824 HA THR 105 HA THR 105 1.190 -1.646 9.181 825 HB THR 105 HB THR 105 4.193 -2.164 9.442 826 HG1 THR 105 HG1 THR 105 2.818 -3.987 9.857 827 HG21 THR 105 1HG2 THR 105 3.577 -0.002 10.472 828 HG22 THR 105 2HG2 THR 105 3.975 -1.196 11.709 829 HG23 THR 105 3HG2 THR 105 2.287 -0.793 11.388 830 H VAL 106 H VAL 106 0.672 0.206 8.140 831 HA VAL 106 HA VAL 106 2.543 1.511 6.309 832 HB VAL 106 HB VAL 106 -0.286 2.406 7.085 833 HG11 VAL 106 1HG1 VAL 106 1.077 4.198 6.094 834 HG12 VAL 106 2HG1 VAL 106 -0.196 3.705 4.981 835 HG13 VAL 106 3HG1 VAL 106 1.460 3.168 4.712 836 HG21 VAL 106 1HG2 VAL 106 0.563 0.705 4.705 837 HG22 VAL 106 2HG2 VAL 106 -1.064 1.321 5.008 838 HG23 VAL 106 3HG2 VAL 106 -0.351 0.138 6.107 839 H THR 107 H THR 107 4.095 2.639 7.326 840 HA THR 107 HA THR 107 3.525 4.184 9.772 841 HB THR 107 HB THR 107 6.222 3.468 8.515 842 HG1 THR 107 HG1 THR 107 4.784 1.714 9.416 843 HG21 THR 107 1HG2 THR 107 6.378 5.444 9.981 844 HG22 THR 107 2HG2 THR 107 7.150 4.057 10.748 845 HG23 THR 107 3HG2 THR 107 5.549 4.578 11.278 846 H GLN 108 H GLN 108 2.831 6.192 9.261 847 HA GLN 108 HA GLN 108 3.665 7.553 6.817 848 HB2 GLN 108 2HB GLN 108 1.306 7.662 7.491 849 HB3 GLN 108 3HB GLN 108 1.747 8.368 9.041 850 HG2 GLN 108 2HG GLN 108 2.541 10.394 7.933 851 HG3 GLN 108 3HG GLN 108 2.209 9.695 6.349 852 HE21 GLN 108 1HE2 GLN 108 1.145 12.152 7.641 853 HE22 GLN 108 2HE2 GLN 108 -0.572 11.977 7.574 854 H ASN 109 H ASN 109 5.339 8.909 6.739 855 HA ASN 109 HA ASN 109 6.834 9.661 9.108 856 HB2 ASN 109 2HB ASN 109 7.315 10.178 6.148 857 HB3 ASN 109 3HB ASN 109 8.393 10.756 7.413 858 HD21 ASN 109 1HD2 ASN 109 6.792 7.560 7.381 859 HD22 ASN 109 2HD2 ASN 109 8.251 6.652 7.196 860 H GLY 110 H GLY 110 4.194 11.014 7.529 861 HA2 GLY 110 2HA GLY 110 4.687 13.761 8.370 862 HA3 GLY 110 3HA GLY 110 3.176 13.095 7.754 863 H GLY 111 H GLY 111 5.356 12.609 10.488 864 HA2 GLY 111 2HA GLY 111 3.664 13.278 12.611 865 HA3 GLY 111 3HA GLY 111 3.452 11.551 12.299 866 H SER 112 H SER 112 5.589 14.000 13.489 867 HA SER 112 HA SER 112 8.007 12.508 13.571 868 HB2 SER 112 2HB SER 112 7.179 14.958 15.178 869 HB3 SER 112 3HB SER 112 8.829 14.355 14.995 870 HG SER 112 HG SER 112 7.799 14.622 12.565 871 H LEU 113 H LEU 113 8.245 10.719 14.736 872 HA LEU 113 HA LEU 113 6.683 9.949 17.009 873 HB2 LEU 113 2HB LEU 113 9.297 8.769 15.967 874 HB3 LEU 113 3HB LEU 113 8.185 7.977 17.074 875 HG LEU 113 HG LEU 113 7.631 8.649 14.153 876 HD11 LEU 113 1HD1 LEU 113 8.031 5.953 15.497 877 HD12 LEU 113 2HD1 LEU 113 9.171 6.762 14.419 878 HD13 LEU 113 3HD1 LEU 113 7.614 6.221 13.801 879 HD21 LEU 113 1HD2 LEU 113 5.815 7.262 16.153 880 HD22 LEU 113 2HD2 LEU 113 5.508 7.432 14.422 881 HD23 LEU 113 3HD2 LEU 113 5.566 8.862 15.448 882 H GLU 114 H GLU 114 10.042 11.011 16.580 883 HA GLU 114 HA GLU 114 10.605 11.245 19.411 884 HB2 GLU 114 2HB GLU 114 12.178 12.234 16.986 885 HB3 GLU 114 3HB GLU 114 12.754 12.252 18.654 886 HG2 GLU 114 2HG GLU 114 12.554 9.767 18.714 887 HG3 GLU 114 3HG GLU 114 12.077 9.796 17.018 888 H HIS 115 H HIS 115 11.344 13.356 20.335 889 HA HIS 115 HA HIS 115 10.241 15.828 19.433 890 HB2 HIS 115 2HB HIS 115 8.403 16.050 21.080 891 HB3 HIS 115 3HB HIS 115 8.105 14.728 19.966 892 HD1 HIS 115 HD1 HIS 115 7.381 15.395 23.240 893 HD2 HIS 115 HD2 HIS 115 9.346 12.184 21.467 894 HE1 HIS 115 HE1 HIS 115 7.168 13.490 24.864 895 HE2 HIS 115 HE2 HIS 115 8.232 11.535 23.704 896 H HIS 116 H HIS 116 12.720 14.750 20.559 897 HA HIS 116 HA HIS 116 13.155 15.753 23.188 898 HB2 HIS 116 2HB HIS 116 14.710 14.127 22.141 899 HB3 HIS 116 3HB HIS 116 15.176 15.317 20.930 900 HD1 HIS 116 HD1 HIS 116 17.038 16.927 21.557 901 HD2 HIS 116 HD2 HIS 116 15.662 14.761 24.832 902 HE1 HIS 116 HE1 HIS 116 18.602 17.489 23.444 903 HE2 HIS 116 HE2 HIS 116 17.853 16.029 25.345 904 H HIS 117 H HIS 117 12.790 17.828 23.671 905 HA HIS 117 HA HIS 117 13.812 20.000 21.956 906 HB2 HIS 117 2HB HIS 117 11.736 21.297 22.282 907 HB3 HIS 117 3HB HIS 117 11.385 19.773 21.483 908 HD1 HIS 117 HD1 HIS 117 9.479 21.688 23.343 909 HD2 HIS 117 HD2 HIS 117 11.005 17.938 24.268 910 HE1 HIS 117 HE1 HIS 117 7.928 20.728 25.063 911 HE2 HIS 117 HE2 HIS 117 8.737 18.384 25.409 912 H HIS 118 H HIS 118 14.444 21.866 23.094 913 HA HIS 118 HA HIS 118 14.435 21.826 26.029 914 HB2 HIS 118 2HB HIS 118 16.439 20.503 25.383 915 HB3 HIS 118 3HB HIS 118 17.014 21.837 24.388 916 HD1 HIS 118 HD1 HIS 118 18.670 23.303 25.524 917 HD2 HIS 118 HD2 HIS 118 16.260 21.315 28.259 918 HE1 HIS 118 HE1 HIS 118 19.584 23.904 27.781 919 HE2 HIS 118 HE2 HIS 118 17.917 22.930 29.399 920 H HIS 119 H HIS 119 14.065 23.816 26.724 921 HA HIS 119 HA HIS 119 14.177 26.135 25.004 922 HB2 HIS 119 2HB HIS 119 13.520 25.934 27.982 923 HB3 HIS 119 3HB HIS 119 13.305 27.372 26.990 924 HD1 HIS 119 HD1 HIS 119 11.036 25.848 28.560 925 HD2 HIS 119 HD2 HIS 119 11.783 25.573 24.483 926 HE1 HIS 119 HE1 HIS 119 8.861 25.151 27.523 927 HE2 HIS 119 HE2 HIS 119 9.388 24.834 25.088 928 H HIS 120 H HIS 120 15.203 28.198 25.919 929 HA HIS 120 HA HIS 120 18.036 27.709 26.246 930 HB2 HIS 120 2HB HIS 120 16.529 30.363 26.085 931 HB3 HIS 120 3HB HIS 120 18.270 30.148 25.922 932 HD1 HIS 120 HD1 HIS 120 15.197 30.238 23.976 933 HD2 HIS 120 HD2 HIS 120 18.987 28.588 23.507 934 HE1 HIS 120 HE1 HIS 120 15.372 29.622 21.549 935 HE2 HIS 120 HE2 HIS 120 17.652 28.597 21.294 Start of MODEL 18 1 H1 MET 1 1H MET 1 3.662 -18.855 -3.803 2 H2 MET 1 2H MET 1 4.463 -18.367 -2.394 3 H3 MET 1 3H MET 1 5.274 -19.298 -3.547 4 HA MET 1 HA MET 1 5.205 -17.571 -5.129 5 HB2 MET 1 2HB MET 1 4.333 -15.288 -4.459 6 HB3 MET 1 3HB MET 1 3.093 -16.514 -4.664 7 HG2 MET 1 2HG MET 1 2.807 -16.719 -2.282 8 HG3 MET 1 3HG MET 1 4.207 -15.700 -1.970 9 HE1 MET 1 1HE MET 1 3.928 -13.264 -3.926 10 HE2 MET 1 2HE MET 1 4.245 -13.110 -2.194 11 HE3 MET 1 3HE MET 1 2.963 -12.164 -2.946 12 H GLN 2 H GLN 2 7.378 -17.496 -5.053 13 HA GLN 2 HA GLN 2 8.756 -16.004 -2.908 14 HB2 GLN 2 2HB GLN 2 9.818 -17.676 -5.228 15 HB3 GLN 2 3HB GLN 2 10.849 -16.747 -4.145 16 HG2 GLN 2 2HG GLN 2 9.051 -19.056 -3.347 17 HG3 GLN 2 3HG GLN 2 10.806 -19.102 -3.485 18 HE21 GLN 2 1HE2 GLN 2 9.065 -19.653 -1.166 19 HE22 GLN 2 2HE2 GLN 2 9.607 -18.599 0.091 20 H ASP 3 H ASP 3 6.890 -14.755 -4.675 21 HA ASP 3 HA ASP 3 8.453 -12.898 -6.314 22 HB2 ASP 3 2HB ASP 3 5.434 -13.028 -5.822 23 HB3 ASP 3 3HB ASP 3 6.248 -12.043 -7.032 24 H ILE 4 H ILE 4 8.545 -13.031 -3.303 25 HA ILE 4 HA ILE 4 6.813 -11.438 -1.891 26 HB ILE 4 HB ILE 4 9.746 -12.061 -1.271 27 HG12 ILE 4 2HG1 ILE 4 8.393 -14.102 -1.617 28 HG13 ILE 4 3HG1 ILE 4 8.842 -13.957 0.075 29 HG21 ILE 4 1HG2 ILE 4 7.590 -11.154 0.670 30 HG22 ILE 4 2HG2 ILE 4 9.006 -10.229 0.173 31 HG23 ILE 4 3HG2 ILE 4 9.210 -11.705 1.112 32 HD11 ILE 4 1HD1 ILE 4 6.566 -14.746 -0.175 33 HD12 ILE 4 2HD1 ILE 4 6.132 -13.310 -1.098 34 HD13 ILE 4 3HD1 ILE 4 6.578 -13.165 0.606 35 H VAL 5 H VAL 5 9.832 -10.347 -3.475 36 HA VAL 5 HA VAL 5 9.849 -7.702 -2.377 37 HB VAL 5 HB VAL 5 11.169 -8.549 -4.997 38 HG11 VAL 5 1HG1 VAL 5 12.819 -6.779 -4.477 39 HG12 VAL 5 2HG1 VAL 5 11.921 -6.366 -3.015 40 HG13 VAL 5 3HG1 VAL 5 11.182 -6.124 -4.597 41 HG21 VAL 5 1HG2 VAL 5 11.822 -10.183 -3.315 42 HG22 VAL 5 2HG2 VAL 5 12.264 -8.903 -2.190 43 HG23 VAL 5 3HG2 VAL 5 13.192 -9.129 -3.672 44 H GLU 6 H GLU 6 9.004 -8.983 -5.609 45 HA GLU 6 HA GLU 6 8.109 -6.591 -6.806 46 HB2 GLU 6 2HB GLU 6 8.730 -8.617 -8.083 47 HB3 GLU 6 3HB GLU 6 7.350 -9.479 -7.421 48 HG2 GLU 6 2HG GLU 6 6.769 -8.878 -9.647 49 HG3 GLU 6 3HG GLU 6 5.856 -7.807 -8.589 50 H ALA 7 H ALA 7 6.445 -9.048 -4.942 51 HA ALA 7 HA ALA 7 3.761 -8.330 -5.486 52 HB1 ALA 7 1HB ALA 7 4.406 -10.545 -4.651 53 HB2 ALA 7 2HB ALA 7 3.239 -9.795 -3.562 54 HB3 ALA 7 3HB ALA 7 4.951 -9.840 -3.129 55 H ALA 8 H ALA 8 5.951 -7.638 -2.754 56 HA ALA 8 HA ALA 8 4.199 -6.022 -1.227 57 HB1 ALA 8 1HB ALA 8 6.255 -5.300 -0.066 58 HB2 ALA 8 2HB ALA 8 7.233 -6.028 -1.344 59 HB3 ALA 8 3HB ALA 8 6.227 -7.044 -0.312 60 H LYS 9 H LYS 9 6.409 -5.305 -3.849 61 HA LYS 9 HA LYS 9 6.450 -2.480 -3.755 62 HB2 LYS 9 2HB LYS 9 8.116 -3.822 -4.952 63 HB3 LYS 9 3HB LYS 9 6.882 -4.455 -6.033 64 HG2 LYS 9 2HG LYS 9 6.561 -2.139 -6.945 65 HG3 LYS 9 3HG LYS 9 7.900 -1.595 -5.923 66 HD2 LYS 9 2HD LYS 9 9.440 -3.134 -7.073 67 HD3 LYS 9 3HD LYS 9 8.110 -3.775 -8.041 68 HE2 LYS 9 2HE LYS 9 7.823 -1.551 -9.092 69 HE3 LYS 9 3HE LYS 9 9.177 -0.936 -8.139 70 HZ1 LYS 9 1HZ LYS 9 9.284 -3.078 -10.202 71 HZ2 LYS 9 2HZ LYS 9 10.580 -2.662 -9.203 72 HZ3 LYS 9 3HZ LYS 9 9.965 -1.533 -10.302 73 H GLN 10 H GLN 10 4.495 -4.757 -5.701 74 HA GLN 10 HA GLN 10 2.855 -2.824 -6.999 75 HB2 GLN 10 2HB GLN 10 2.266 -5.777 -6.477 76 HB3 GLN 10 3HB GLN 10 1.404 -4.755 -7.619 77 HG2 GLN 10 2HG GLN 10 3.551 -4.479 -8.881 78 HG3 GLN 10 3HG GLN 10 4.290 -5.646 -7.800 79 HE21 GLN 10 1HE2 GLN 10 1.862 -7.354 -7.688 80 HE22 GLN 10 2HE2 GLN 10 1.785 -8.148 -9.215 81 H ALA 11 H ALA 11 2.611 -4.642 -4.011 82 HA ALA 11 HA ALA 11 -0.119 -4.264 -3.412 83 HB1 ALA 11 1HB ALA 11 1.270 -6.015 -2.360 84 HB2 ALA 11 2HB ALA 11 0.461 -5.016 -1.154 85 HB3 ALA 11 3HB ALA 11 2.181 -4.782 -1.488 86 H ALA 12 H ALA 12 2.811 -2.490 -2.484 87 HA ALA 12 HA ALA 12 1.759 -0.648 -0.700 88 HB1 ALA 12 1HB ALA 12 4.017 -0.227 -2.684 89 HB2 ALA 12 2HB ALA 12 4.166 -0.946 -1.082 90 HB3 ALA 12 3HB ALA 12 3.711 0.751 -1.239 91 H ILE 13 H ILE 13 2.309 -0.214 -4.192 92 HA ILE 13 HA ILE 13 1.149 2.330 -4.495 93 HB ILE 13 HB ILE 13 1.431 0.130 -6.606 94 HG12 ILE 13 2HG1 ILE 13 3.418 2.347 -5.887 95 HG13 ILE 13 3HG1 ILE 13 3.593 0.657 -5.437 96 HG21 ILE 13 1HG2 ILE 13 1.458 1.964 -8.269 97 HG22 ILE 13 2HG2 ILE 13 1.174 3.138 -6.985 98 HG23 ILE 13 3HG2 ILE 13 -0.061 1.938 -7.365 99 HD11 ILE 13 1HD1 ILE 13 5.004 1.197 -7.317 100 HD12 ILE 13 2HD1 ILE 13 3.612 1.749 -8.248 101 HD13 ILE 13 3HD1 ILE 13 3.760 0.046 -7.803 102 H ALA 14 H ALA 14 -0.227 -0.936 -4.735 103 HA ALA 14 HA ALA 14 -2.731 -0.335 -5.888 104 HB1 ALA 14 1HB ALA 14 -2.007 -2.654 -4.068 105 HB2 ALA 14 2HB ALA 14 -1.793 -2.609 -5.817 106 HB3 ALA 14 3HB ALA 14 -3.419 -2.568 -5.135 107 H ILE 15 H ILE 15 -1.692 -0.513 -2.504 108 HA ILE 15 HA ILE 15 -4.187 -0.216 -1.218 109 HB ILE 15 HB ILE 15 -1.348 0.469 -0.320 110 HG12 ILE 15 2HG1 ILE 15 -3.168 -1.853 0.483 111 HG13 ILE 15 3HG1 ILE 15 -1.894 -1.960 -0.721 112 HG21 ILE 15 1HG2 ILE 15 -2.169 0.623 2.004 113 HG22 ILE 15 2HG2 ILE 15 -3.829 0.472 1.428 114 HG23 ILE 15 3HG2 ILE 15 -2.871 1.886 0.986 115 HD11 ILE 15 1HD1 ILE 15 -0.232 -1.457 1.029 116 HD12 ILE 15 2HD1 ILE 15 -1.158 -2.920 1.349 117 HD13 ILE 15 3HD1 ILE 15 -1.529 -1.437 2.228 118 H PHE 16 H PHE 16 -1.764 2.226 -2.260 119 HA PHE 16 HA PHE 16 -3.196 4.519 -1.341 120 HB2 PHE 16 2HB PHE 16 -1.061 4.350 -3.504 121 HB3 PHE 16 3HB PHE 16 -1.642 5.844 -2.772 122 HD1 PHE 16 HD1 PHE 16 -1.499 5.906 -0.105 123 HD2 PHE 16 HD2 PHE 16 0.871 3.396 -2.620 124 HE1 PHE 16 HE1 PHE 16 0.192 5.703 1.676 125 HE2 PHE 16 HE2 PHE 16 2.539 3.196 -0.840 126 HZ PHE 16 HZ PHE 16 2.212 4.349 1.302 127 H GLN 17 H GLN 17 -3.174 2.771 -4.405 128 HA GLN 17 HA GLN 17 -4.694 4.608 -5.943 129 HB2 GLN 17 2HB GLN 17 -4.356 1.591 -6.237 130 HB3 GLN 17 3HB GLN 17 -5.237 2.584 -7.397 131 HG2 GLN 17 2HG GLN 17 -3.180 3.891 -7.838 132 HG3 GLN 17 3HG GLN 17 -2.297 2.861 -6.708 133 HE21 GLN 17 1HE2 GLN 17 -1.861 0.688 -7.321 134 HE22 GLN 17 2HE2 GLN 17 -1.953 0.175 -8.967 135 H LEU 18 H LEU 18 -5.610 1.916 -3.802 136 HA LEU 18 HA LEU 18 -8.427 2.139 -4.202 137 HB2 LEU 18 2HB LEU 18 -6.855 0.925 -1.889 138 HB3 LEU 18 3HB LEU 18 -8.604 0.836 -2.028 139 HG LEU 18 HG LEU 18 -6.592 -0.438 -3.925 140 HD11 LEU 18 1HD1 LEU 18 -7.436 -2.574 -3.081 141 HD12 LEU 18 2HD1 LEU 18 -8.516 -1.731 -1.968 142 HD13 LEU 18 3HD1 LEU 18 -6.766 -1.598 -1.775 143 HD21 LEU 18 1HD2 LEU 18 -9.628 -0.542 -4.068 144 HD22 LEU 18 2HD2 LEU 18 -8.511 -1.471 -5.072 145 HD23 LEU 18 3HD2 LEU 18 -8.554 0.284 -5.203 146 H TRP 19 H TRP 19 -6.151 3.668 -1.953 147 HA TRP 19 HA TRP 19 -7.947 4.727 -0.084 148 HB2 TRP 19 2HB TRP 19 -5.149 5.513 -0.887 149 HB3 TRP 19 3HB TRP 19 -6.033 6.481 0.284 150 HD1 TRP 19 HD1 TRP 19 -6.942 2.950 0.935 151 HE1 TRP 19 HE1 TRP 19 -5.560 2.037 2.903 152 HE3 TRP 19 HE3 TRP 19 -3.387 6.633 1.233 153 HZ2 TRP 19 HZ2 TRP 19 -3.275 2.775 4.388 154 HZ3 TRP 19 HZ3 TRP 19 -1.644 6.456 2.962 155 HH2 TRP 19 HH2 TRP 19 -1.588 4.566 4.511 156 H LYS 20 H LYS 20 -6.879 6.083 -3.157 157 HA LYS 20 HA LYS 20 -8.698 8.386 -2.814 158 HB2 LYS 20 2HB LYS 20 -7.525 9.296 -4.855 159 HB3 LYS 20 3HB LYS 20 -6.499 9.077 -3.443 160 HG2 LYS 20 2HG LYS 20 -5.643 6.949 -4.418 161 HG3 LYS 20 3HG LYS 20 -6.615 7.243 -5.865 162 HD2 LYS 20 2HD LYS 20 -5.360 9.286 -6.343 163 HD3 LYS 20 3HD LYS 20 -4.462 9.135 -4.831 164 HE2 LYS 20 2HE LYS 20 -3.333 7.143 -5.641 165 HE3 LYS 20 3HE LYS 20 -4.333 7.121 -7.099 166 HZ1 LYS 20 1HZ LYS 20 -2.164 8.074 -7.540 167 HZ2 LYS 20 2HZ LYS 20 -2.410 9.260 -6.360 168 HZ3 LYS 20 3HZ LYS 20 -3.370 9.240 -7.749 169 H ASN 21 H ASN 21 -8.614 5.316 -4.328 170 HA ASN 21 HA ASN 21 -11.026 5.812 -5.869 171 HB2 ASN 21 2HB ASN 21 -9.230 6.566 -7.440 172 HB3 ASN 21 3HB ASN 21 -8.443 5.000 -7.302 173 HD21 ASN 21 1HD2 ASN 21 -9.419 3.207 -8.315 174 HD22 ASN 21 2HD2 ASN 21 -10.593 3.387 -9.566 175 HA PRO 22 HA PRO 22 -10.559 1.548 -3.943 176 HB2 PRO 22 2HB PRO 22 -12.966 1.425 -2.654 177 HB3 PRO 22 3HB PRO 22 -11.590 2.329 -1.990 178 HG2 PRO 22 2HG PRO 22 -13.963 3.373 -3.495 179 HG3 PRO 22 3HG PRO 22 -13.194 4.016 -2.027 180 HD2 PRO 22 2HD PRO 22 -12.706 5.033 -4.531 181 HD3 PRO 22 3HD PRO 22 -11.513 5.089 -3.216 182 H THR 23 H THR 23 -12.473 2.891 -6.306 183 HA THR 23 HA THR 23 -14.257 0.747 -6.954 184 HB THR 23 HB THR 23 -14.625 2.184 -9.038 185 HG1 THR 23 HG1 THR 23 -13.599 4.320 -8.862 186 HG21 THR 23 1HG2 THR 23 -14.807 3.653 -6.369 187 HG22 THR 23 2HG2 THR 23 -16.031 2.563 -7.032 188 HG23 THR 23 3HG2 THR 23 -15.675 4.087 -7.845 189 H ASP 24 H ASP 24 -10.900 1.226 -7.480 190 HA ASP 24 HA ASP 24 -10.685 0.146 -10.131 191 HB2 ASP 24 2HB ASP 24 -8.961 1.691 -9.111 192 HB3 ASP 24 3HB ASP 24 -8.446 0.369 -8.066 193 HA PRO 25 HA PRO 25 -11.228 -4.105 -8.612 194 HB2 PRO 25 2HB PRO 25 -11.531 -5.357 -11.020 195 HB3 PRO 25 3HB PRO 25 -12.791 -4.303 -10.341 196 HG2 PRO 25 2HG PRO 25 -10.745 -3.665 -12.437 197 HG3 PRO 25 3HG PRO 25 -12.478 -3.272 -12.402 198 HD2 PRO 25 2HD PRO 25 -10.525 -1.475 -11.704 199 HD3 PRO 25 3HD PRO 25 -12.170 -1.429 -11.035 200 H GLU 26 H GLU 26 -8.604 -2.956 -10.573 201 HA GLU 26 HA GLU 26 -7.232 -5.483 -10.899 202 HB2 GLU 26 2HB GLU 26 -6.080 -2.688 -11.306 203 HB3 GLU 26 3HB GLU 26 -5.478 -4.194 -11.986 204 HG2 GLU 26 2HG GLU 26 -8.046 -2.763 -12.705 205 HG3 GLU 26 3HG GLU 26 -6.603 -2.919 -13.701 206 H ALA 27 H ALA 27 -6.857 -2.580 -8.916 207 HA ALA 27 HA ALA 27 -4.455 -3.182 -7.605 208 HB1 ALA 27 1HB ALA 27 -5.137 -1.448 -5.981 209 HB2 ALA 27 2HB ALA 27 -6.782 -1.492 -6.622 210 HB3 ALA 27 3HB ALA 27 -5.455 -0.929 -7.639 211 H GLN 28 H GLN 28 -7.836 -3.689 -6.578 212 HA GLN 28 HA GLN 28 -7.151 -4.987 -4.119 213 HB2 GLN 28 2HB GLN 28 -9.585 -5.395 -3.896 214 HB3 GLN 28 3HB GLN 28 -9.213 -3.724 -4.297 215 HG2 GLN 28 2HG GLN 28 -9.782 -4.213 -6.678 216 HG3 GLN 28 3HG GLN 28 -10.284 -5.830 -6.190 217 HE21 GLN 28 1HE2 GLN 28 -11.072 -2.429 -6.095 218 HE22 GLN 28 2HE2 GLN 28 -12.698 -2.618 -5.539 219 H GLU 29 H GLU 29 -7.592 -6.168 -7.395 220 HA GLU 29 HA GLU 29 -8.087 -8.938 -6.729 221 HB2 GLU 29 2HB GLU 29 -8.762 -8.110 -8.929 222 HB3 GLU 29 3HB GLU 29 -7.102 -7.680 -9.327 223 HG2 GLU 29 2HG GLU 29 -6.503 -10.127 -9.185 224 HG3 GLU 29 3HG GLU 29 -8.206 -10.488 -8.937 225 H LEU 30 H LEU 30 -5.128 -7.089 -7.662 226 HA LEU 30 HA LEU 30 -3.444 -9.394 -7.603 227 HB2 LEU 30 2HB LEU 30 -1.532 -7.874 -7.748 228 HB3 LEU 30 3HB LEU 30 -2.771 -7.478 -8.910 229 HG LEU 30 HG LEU 30 -3.456 -5.637 -7.090 230 HD11 LEU 30 1HD1 LEU 30 -0.516 -6.021 -6.450 231 HD12 LEU 30 2HD1 LEU 30 -1.875 -6.272 -5.353 232 HD13 LEU 30 3HD1 LEU 30 -1.512 -4.653 -5.942 233 HD21 LEU 30 1HD2 LEU 30 -2.074 -3.975 -8.249 234 HD22 LEU 30 2HD2 LEU 30 -2.800 -5.110 -9.383 235 HD23 LEU 30 3HD2 LEU 30 -1.092 -5.263 -8.958 236 H LEU 31 H LEU 31 -4.470 -7.070 -5.175 237 HA LEU 31 HA LEU 31 -2.850 -7.934 -3.009 238 HB2 LEU 31 2HB LEU 31 -5.621 -6.671 -2.986 239 HB3 LEU 31 3HB LEU 31 -4.631 -6.895 -1.551 240 HG LEU 31 HG LEU 31 -3.929 -5.111 -3.916 241 HD11 LEU 31 1HD1 LEU 31 -4.825 -4.344 -1.120 242 HD12 LEU 31 2HD1 LEU 31 -5.765 -4.178 -2.604 243 HD13 LEU 31 3HD1 LEU 31 -4.297 -3.229 -2.386 244 HD21 LEU 31 1HD2 LEU 31 -2.445 -5.495 -1.306 245 HD22 LEU 31 2HD2 LEU 31 -2.056 -4.316 -2.561 246 HD23 LEU 31 3HD2 LEU 31 -1.915 -6.038 -2.901 247 H ASN 32 H ASN 32 -5.811 -9.222 -4.381 248 HA ASN 32 HA ASN 32 -6.541 -11.029 -2.295 249 HB2 ASN 32 2HB ASN 32 -8.102 -10.307 -4.099 250 HB3 ASN 32 3HB ASN 32 -7.143 -11.166 -5.293 251 HD21 ASN 32 1HD2 ASN 32 -9.408 -11.482 -2.671 252 HD22 ASN 32 2HD2 ASN 32 -9.806 -13.143 -2.943 253 H LYS 33 H LYS 33 -4.286 -11.161 -4.941 254 HA LYS 33 HA LYS 33 -3.861 -14.034 -4.854 255 HB2 LYS 33 2HB LYS 33 -2.446 -11.837 -6.434 256 HB3 LYS 33 3HB LYS 33 -2.228 -13.568 -6.683 257 HG2 LYS 33 2HG LYS 33 -4.527 -13.813 -7.440 258 HG3 LYS 33 3HG LYS 33 -4.884 -12.135 -7.021 259 HD2 LYS 33 2HD LYS 33 -4.583 -12.357 -9.445 260 HD3 LYS 33 3HD LYS 33 -3.301 -11.360 -8.759 261 HE2 LYS 33 2HE LYS 33 -1.765 -13.305 -8.837 262 HE3 LYS 33 3HE LYS 33 -3.054 -14.284 -9.540 263 HZ1 LYS 33 1HZ LYS 33 -3.088 -12.844 -11.456 264 HZ2 LYS 33 2HZ LYS 33 -1.515 -13.417 -11.212 265 HZ3 LYS 33 3HZ LYS 33 -1.919 -11.830 -10.777 266 H ILE 34 H ILE 34 -2.138 -11.067 -3.853 267 HA ILE 34 HA ILE 34 0.290 -12.617 -3.192 268 HB ILE 34 HB ILE 34 1.500 -10.498 -3.189 269 HG12 ILE 34 2HG1 ILE 34 -1.245 -9.185 -3.465 270 HG13 ILE 34 3HG1 ILE 34 -0.065 -8.945 -2.190 271 HG21 ILE 34 1HG2 ILE 34 1.133 -11.601 -5.364 272 HG22 ILE 34 2HG2 ILE 34 1.210 -9.852 -5.561 273 HG23 ILE 34 3HG2 ILE 34 -0.351 -10.675 -5.603 274 HD11 ILE 34 1HD1 ILE 34 -0.192 -7.029 -3.656 275 HD12 ILE 34 2HD1 ILE 34 0.224 -8.029 -5.048 276 HD13 ILE 34 3HD1 ILE 34 1.397 -7.783 -3.752 277 H LEU 35 H LEU 35 -2.045 -10.425 -1.655 278 HA LEU 35 HA LEU 35 -0.964 -11.021 1.045 279 HB2 LEU 35 2HB LEU 35 -3.037 -8.929 0.223 280 HB3 LEU 35 3HB LEU 35 -2.359 -9.132 1.829 281 HG LEU 35 HG LEU 35 -0.894 -8.123 -0.641 282 HD11 LEU 35 1HD1 LEU 35 -2.380 -6.447 0.341 283 HD12 LEU 35 2HD1 LEU 35 -0.692 -6.008 0.591 284 HD13 LEU 35 3HD1 LEU 35 -1.636 -6.678 1.926 285 HD21 LEU 35 1HD2 LEU 35 0.639 -9.472 0.684 286 HD22 LEU 35 2HD2 LEU 35 0.220 -8.566 2.140 287 HD23 LEU 35 3HD2 LEU 35 1.056 -7.763 0.807 288 H SER 36 H SER 36 -2.797 -11.284 2.735 289 HA SER 36 HA SER 36 -4.714 -13.246 1.969 290 HB2 SER 36 2HB SER 36 -5.683 -12.708 4.319 291 HB3 SER 36 3HB SER 36 -4.029 -13.316 4.257 292 HG SER 36 HG SER 36 -4.226 -11.508 5.627 293 HA PRO 37 HA PRO 37 -7.954 -10.618 0.167 294 HB2 PRO 37 2HB PRO 37 -9.733 -12.700 1.451 295 HB3 PRO 37 3HB PRO 37 -9.772 -12.043 -0.203 296 HG2 PRO 37 2HG PRO 37 -8.741 -14.437 0.195 297 HG3 PRO 37 3HG PRO 37 -7.914 -13.297 -0.897 298 HD2 PRO 37 2HD PRO 37 -7.201 -14.057 1.932 299 HD3 PRO 37 3HD PRO 37 -6.136 -13.770 0.533 300 H ASP 38 H ASP 38 -7.959 -11.530 3.548 301 HA ASP 38 HA ASP 38 -9.967 -9.894 4.602 302 HB2 ASP 38 2HB ASP 38 -8.781 -11.704 5.838 303 HB3 ASP 38 3HB ASP 38 -7.322 -10.727 5.895 304 H VAL 39 H VAL 39 -6.575 -9.196 3.819 305 HA VAL 39 HA VAL 39 -6.312 -6.678 5.051 306 HB VAL 39 HB VAL 39 -4.789 -7.794 2.651 307 HG11 VAL 39 1HG1 VAL 39 -3.025 -6.117 3.161 308 HG12 VAL 39 2HG1 VAL 39 -4.080 -5.385 4.373 309 HG13 VAL 39 3HG1 VAL 39 -4.540 -5.354 2.670 310 HG21 VAL 39 1HG2 VAL 39 -4.027 -7.726 5.592 311 HG22 VAL 39 2HG2 VAL 39 -3.006 -8.320 4.280 312 HG23 VAL 39 3HG2 VAL 39 -4.510 -9.156 4.678 313 H LEU 40 H LEU 40 -7.007 -7.436 1.580 314 HA LEU 40 HA LEU 40 -7.240 -4.722 0.788 315 HB2 LEU 40 2HB LEU 40 -8.052 -5.518 -1.324 316 HB3 LEU 40 3HB LEU 40 -6.826 -6.634 -0.766 317 HG LEU 40 HG LEU 40 -9.092 -7.905 0.163 318 HD11 LEU 40 1HD1 LEU 40 -9.979 -6.655 -2.455 319 HD12 LEU 40 2HD1 LEU 40 -10.646 -6.311 -0.857 320 HD13 LEU 40 3HD1 LEU 40 -10.825 -7.918 -1.554 321 HD21 LEU 40 1HD2 LEU 40 -7.271 -8.950 -1.092 322 HD22 LEU 40 2HD2 LEU 40 -7.934 -8.309 -2.596 323 HD23 LEU 40 3HD2 LEU 40 -8.856 -9.479 -1.651 324 H ASP 41 H ASP 41 -9.504 -6.966 2.186 325 HA ASP 41 HA ASP 41 -11.941 -5.752 1.378 326 HB2 ASP 41 2HB ASP 41 -11.729 -8.148 2.038 327 HB3 ASP 41 3HB ASP 41 -11.437 -7.663 3.702 328 H GLN 42 H GLN 42 -9.898 -5.361 4.246 329 HA GLN 42 HA GLN 42 -11.711 -3.435 5.469 330 HB2 GLN 42 2HB GLN 42 -9.903 -3.202 7.199 331 HB3 GLN 42 3HB GLN 42 -10.462 -4.855 6.984 332 HG2 GLN 42 2HG GLN 42 -8.475 -5.379 5.647 333 HG3 GLN 42 3HG GLN 42 -7.927 -3.711 5.788 334 HE21 GLN 42 1HE2 GLN 42 -5.974 -4.425 6.664 335 HE22 GLN 42 2HE2 GLN 42 -5.843 -4.966 8.299 336 H VAL 43 H VAL 43 -8.722 -3.366 3.540 337 HA VAL 43 HA VAL 43 -7.978 -0.668 3.953 338 HB VAL 43 HB VAL 43 -7.331 -2.594 1.674 339 HG11 VAL 43 1HG1 VAL 43 -6.201 0.224 1.967 340 HG12 VAL 43 2HG1 VAL 43 -7.235 -0.354 0.659 341 HG13 VAL 43 3HG1 VAL 43 -5.608 -1.007 0.844 342 HG21 VAL 43 1HG2 VAL 43 -6.294 -3.077 3.863 343 HG22 VAL 43 2HG2 VAL 43 -5.589 -1.461 3.898 344 HG23 VAL 43 3HG2 VAL 43 -5.075 -2.623 2.671 345 H ARG 44 H ARG 44 -10.175 -2.128 1.575 346 HA ARG 44 HA ARG 44 -10.532 0.179 -0.061 347 HB2 ARG 44 2HB ARG 44 -12.403 -1.071 -1.081 348 HB3 ARG 44 3HB ARG 44 -10.990 -2.102 -0.881 349 HG2 ARG 44 2HG ARG 44 -12.103 -2.915 1.301 350 HG3 ARG 44 3HG ARG 44 -13.566 -2.131 0.706 351 HD2 ARG 44 2HD ARG 44 -12.048 -4.331 -0.749 352 HD3 ARG 44 3HD ARG 44 -13.495 -4.569 0.230 353 HE ARG 44 HE ARG 44 -13.854 -2.667 -1.900 354 HH11 ARG 44 1HH1 ARG 44 -13.989 -6.119 -1.138 355 HH12 ARG 44 2HH1 ARG 44 -15.059 -6.478 -2.454 356 HH21 ARG 44 1HH2 ARG 44 -15.249 -3.176 -3.604 357 HH22 ARG 44 2HH2 ARG 44 -15.774 -4.809 -3.853 358 H GLU 45 H GLU 45 -11.889 -0.739 2.985 359 HA GLU 45 HA GLU 45 -14.204 1.042 2.884 360 HB2 GLU 45 2HB GLU 45 -13.094 -0.520 5.252 361 HB3 GLU 45 3HB GLU 45 -14.698 0.200 5.125 362 HG2 GLU 45 2HG GLU 45 -15.339 -1.390 3.401 363 HG3 GLU 45 3HG GLU 45 -13.704 -2.046 3.338 364 H HIS 46 H HIS 46 -11.090 0.830 4.637 365 HA HIS 46 HA HIS 46 -11.300 3.321 6.031 366 HB2 HIS 46 2HB HIS 46 -8.826 1.687 5.315 367 HB3 HIS 46 3HB HIS 46 -8.838 3.048 6.431 368 HD1 HIS 46 HD1 HIS 46 -9.016 -0.517 6.411 369 HD2 HIS 46 HD2 HIS 46 -10.680 2.473 8.765 370 HE1 HIS 46 HE1 HIS 46 -9.729 -1.652 8.528 371 HE2 HIS 46 HE2 HIS 46 -10.940 0.126 9.821 372 H ALA 47 H ALA 47 -10.293 2.415 2.865 373 HA ALA 47 HA ALA 47 -8.854 4.575 1.874 374 HB1 ALA 47 1HB ALA 47 -9.213 2.458 0.679 375 HB2 ALA 47 2HB ALA 47 -9.719 3.817 -0.324 376 HB3 ALA 47 3HB ALA 47 -10.928 2.827 0.499 377 H ARG 48 H ARG 48 -12.293 4.065 2.225 378 HA ARG 48 HA ARG 48 -13.300 6.206 0.718 379 HB2 ARG 48 2HB ARG 48 -14.559 4.712 3.060 380 HB3 ARG 48 3HB ARG 48 -15.438 5.702 1.896 381 HG2 ARG 48 2HG ARG 48 -14.936 4.169 0.096 382 HG3 ARG 48 3HG ARG 48 -13.822 3.255 1.112 383 HD2 ARG 48 2HD ARG 48 -15.766 2.581 2.552 384 HD3 ARG 48 3HD ARG 48 -16.847 3.409 1.416 385 HE ARG 48 HE ARG 48 -15.359 1.710 -0.141 386 HH11 ARG 48 1HH1 ARG 48 -17.501 1.200 2.617 387 HH12 ARG 48 2HH1 ARG 48 -17.959 -0.393 2.104 388 HH21 ARG 48 1HH2 ARG 48 -15.986 -0.357 -0.801 389 HH22 ARG 48 2HH2 ARG 48 -17.098 -1.273 0.163 390 H GLU 49 H GLU 49 -12.056 6.076 3.982 391 HA GLU 49 HA GLU 49 -13.306 8.434 5.005 392 HB2 GLU 49 2HB GLU 49 -10.718 7.138 5.970 393 HB3 GLU 49 3HB GLU 49 -11.764 8.210 6.890 394 HG2 GLU 49 2HG GLU 49 -12.396 5.387 5.995 395 HG3 GLU 49 3HG GLU 49 -12.087 5.932 7.639 396 H LEU 50 H LEU 50 -10.175 7.787 3.459 397 HA LEU 50 HA LEU 50 -9.160 10.479 3.647 398 HB2 LEU 50 2HB LEU 50 -8.273 8.136 1.911 399 HB3 LEU 50 3HB LEU 50 -7.364 9.625 2.129 400 HG LEU 50 HG LEU 50 -7.998 7.614 4.329 401 HD11 LEU 50 1HD1 LEU 50 -5.613 7.086 4.315 402 HD12 LEU 50 2HD1 LEU 50 -5.357 8.190 2.963 403 HD13 LEU 50 3HD1 LEU 50 -6.346 6.744 2.748 404 HD21 LEU 50 1HD2 LEU 50 -6.329 10.147 4.456 405 HD22 LEU 50 2HD2 LEU 50 -6.487 8.949 5.743 406 HD23 LEU 50 3HD2 LEU 50 -7.891 9.878 5.235 407 H GLN 51 H GLN 51 -10.939 8.604 1.285 408 HA GLN 51 HA GLN 51 -10.914 10.384 -0.907 409 HB2 GLN 51 2HB GLN 51 -11.586 8.045 -1.149 410 HB3 GLN 51 3HB GLN 51 -12.934 8.279 -0.045 411 HG2 GLN 51 2HG GLN 51 -13.949 9.857 -1.700 412 HG3 GLN 51 3HG GLN 51 -12.640 9.473 -2.813 413 HE21 GLN 51 1HE2 GLN 51 -14.195 7.074 -0.720 414 HE22 GLN 51 2HE2 GLN 51 -14.961 6.206 -2.001 415 H LYS 52 H LYS 52 -13.126 10.091 1.891 416 HA LYS 52 HA LYS 52 -15.060 12.027 1.224 417 HB2 LYS 52 2HB LYS 52 -14.003 11.133 3.939 418 HB3 LYS 52 3HB LYS 52 -15.361 12.245 3.772 419 HG2 LYS 52 2HG LYS 52 -16.712 10.553 2.709 420 HG3 LYS 52 3HG LYS 52 -15.341 9.445 2.614 421 HD2 LYS 52 2HD LYS 52 -15.251 9.355 5.098 422 HD3 LYS 52 3HD LYS 52 -16.644 10.440 5.180 423 HE2 LYS 52 2HE LYS 52 -17.334 8.114 5.515 424 HE3 LYS 52 3HE LYS 52 -18.017 8.742 4.014 425 HZ1 LYS 52 1HZ LYS 52 -16.219 7.624 2.807 426 HZ2 LYS 52 2HZ LYS 52 -17.165 6.537 3.689 427 HZ3 LYS 52 3HZ LYS 52 -15.636 6.979 4.264 428 H GLN 53 H GLN 53 -11.943 12.332 2.837 429 HA GLN 53 HA GLN 53 -12.122 15.117 3.475 430 HB2 GLN 53 2HB GLN 53 -9.692 13.281 3.338 431 HB3 GLN 53 3HB GLN 53 -9.725 14.878 4.085 432 HG2 GLN 53 2HG GLN 53 -11.359 14.097 5.746 433 HG3 GLN 53 3HG GLN 53 -11.390 12.509 4.976 434 HE21 GLN 53 1HE2 GLN 53 -9.612 11.131 5.216 435 HE22 GLN 53 2HE2 GLN 53 -8.418 11.381 6.437 436 H GLY 54 H GLY 54 -11.490 13.445 0.577 437 HA2 GLY 54 2HA GLY 54 -11.168 14.174 -1.562 438 HA3 GLY 54 3HA GLY 54 -11.432 15.806 -0.971 439 H ILE 55 H ILE 55 -8.899 13.693 0.200 440 HA ILE 55 HA ILE 55 -6.846 15.622 -0.379 441 HB ILE 55 HB ILE 55 -6.549 12.760 0.664 442 HG12 ILE 55 2HG1 ILE 55 -6.685 15.374 2.239 443 HG13 ILE 55 3HG1 ILE 55 -7.980 14.190 2.140 444 HG21 ILE 55 1HG2 ILE 55 -4.440 13.633 -0.270 445 HG22 ILE 55 2HG2 ILE 55 -4.323 13.503 1.487 446 HG23 ILE 55 3HG2 ILE 55 -4.578 15.079 0.734 447 HD11 ILE 55 1HD1 ILE 55 -5.276 13.758 3.404 448 HD12 ILE 55 2HD1 ILE 55 -6.564 12.555 3.286 449 HD13 ILE 55 3HD1 ILE 55 -6.810 14.018 4.237 450 H HIS 56 H HIS 56 -6.267 15.854 -2.491 451 HA HIS 56 HA HIS 56 -6.032 13.584 -4.310 452 HB2 HIS 56 2HB HIS 56 -5.420 16.560 -4.632 453 HB3 HIS 56 3HB HIS 56 -5.126 15.379 -5.902 454 HD1 HIS 56 HD1 HIS 56 -6.944 15.281 -7.561 455 HD2 HIS 56 HD2 HIS 56 -8.364 16.471 -3.846 456 HE1 HIS 56 HE1 HIS 56 -9.374 15.788 -7.898 457 HE2 HIS 56 HE2 HIS 56 -10.133 16.736 -5.703 458 H PHE 57 H PHE 57 -4.315 12.275 -3.962 459 HA PHE 57 HA PHE 57 -1.626 13.443 -3.604 460 HB2 PHE 57 2HB PHE 57 -1.054 11.730 -1.904 461 HB3 PHE 57 3HB PHE 57 -2.352 12.775 -1.350 462 HD1 PHE 57 HD1 PHE 57 -1.406 9.335 -2.145 463 HD2 PHE 57 HD2 PHE 57 -4.709 11.895 -1.249 464 HE1 PHE 57 HE1 PHE 57 -2.799 7.369 -1.641 465 HE2 PHE 57 HE2 PHE 57 -6.094 9.925 -0.746 466 HZ PHE 57 HZ PHE 57 -5.135 7.676 -0.947 467 H GLU 58 H GLU 58 -0.018 12.350 -4.658 468 HA GLU 58 HA GLU 58 -0.709 9.925 -6.190 469 HB2 GLU 58 2HB GLU 58 -0.956 11.960 -7.645 470 HB3 GLU 58 3HB GLU 58 0.727 12.368 -7.329 471 HG2 GLU 58 2HG GLU 58 0.512 11.323 -9.517 472 HG3 GLU 58 3HG GLU 58 1.442 10.285 -8.439 473 H VAL 59 H VAL 59 0.960 8.565 -6.592 474 HA VAL 59 HA VAL 59 3.095 8.327 -4.789 475 HB VAL 59 HB VAL 59 2.675 6.994 -7.509 476 HG11 VAL 59 1HG1 VAL 59 4.543 6.162 -5.258 477 HG12 VAL 59 2HG1 VAL 59 5.025 6.810 -6.827 478 HG13 VAL 59 3HG1 VAL 59 4.231 5.238 -6.730 479 HG21 VAL 59 1HG2 VAL 59 0.817 6.547 -5.953 480 HG22 VAL 59 2HG2 VAL 59 1.954 5.991 -4.722 481 HG23 VAL 59 3HG2 VAL 59 1.763 5.080 -6.224 482 H LYS 60 H LYS 60 4.827 9.612 -4.725 483 HA LYS 60 HA LYS 60 5.930 10.945 -7.078 484 HB2 LYS 60 2HB LYS 60 6.985 10.974 -4.211 485 HB3 LYS 60 3HB LYS 60 7.423 12.082 -5.503 486 HG2 LYS 60 2HG LYS 60 4.788 11.908 -4.031 487 HG3 LYS 60 3HG LYS 60 5.961 13.221 -3.972 488 HD2 LYS 60 2HD LYS 60 4.305 12.424 -6.390 489 HD3 LYS 60 3HD LYS 60 3.990 13.790 -5.325 490 HE2 LYS 60 2HE LYS 60 6.088 14.851 -6.018 491 HE3 LYS 60 3HE LYS 60 6.472 13.467 -7.041 492 HZ1 LYS 60 1HZ LYS 60 4.128 15.259 -7.384 493 HZ2 LYS 60 2HZ LYS 60 4.506 13.937 -8.365 494 HZ3 LYS 60 3HZ LYS 60 5.527 15.283 -8.326 495 H ARG 61 H ARG 61 6.963 8.640 -4.576 496 HA ARG 61 HA ARG 61 9.267 7.738 -6.205 497 HB2 ARG 61 2HB ARG 61 9.959 9.642 -4.688 498 HB3 ARG 61 3HB ARG 61 9.366 8.737 -3.307 499 HG2 ARG 61 2HG ARG 61 11.671 8.424 -3.191 500 HG3 ARG 61 3HG ARG 61 11.138 6.941 -3.979 501 HD2 ARG 61 2HD ARG 61 12.204 9.364 -5.466 502 HD3 ARG 61 3HD ARG 61 13.211 8.016 -4.945 503 HE ARG 61 HE ARG 61 10.976 7.732 -6.876 504 HH11 ARG 61 1HH1 ARG 61 14.285 7.006 -5.924 505 HH12 ARG 61 2HH1 ARG 61 14.566 5.947 -7.272 506 HH21 ARG 61 1HH2 ARG 61 11.360 6.324 -8.630 507 HH22 ARG 61 2HH2 ARG 61 12.909 5.565 -8.799 508 H VAL 62 H VAL 62 9.224 5.510 -6.189 509 HA VAL 62 HA VAL 62 8.489 4.081 -3.686 510 HB VAL 62 HB VAL 62 8.182 3.024 -6.558 511 HG11 VAL 62 1HG1 VAL 62 7.215 0.977 -5.533 512 HG12 VAL 62 2HG1 VAL 62 7.593 1.600 -3.927 513 HG13 VAL 62 3HG1 VAL 62 8.897 1.207 -5.048 514 HG21 VAL 62 1HG2 VAL 62 6.056 3.653 -4.487 515 HG22 VAL 62 2HG2 VAL 62 5.764 2.941 -6.076 516 HG23 VAL 62 3HG2 VAL 62 6.391 4.586 -5.947 517 H GLU 63 H GLU 63 10.329 3.409 -2.774 518 HA GLU 63 HA GLU 63 12.383 2.080 -4.428 519 HB2 GLU 63 2HB GLU 63 12.865 3.987 -2.093 520 HB3 GLU 63 3HB GLU 63 14.113 2.959 -2.796 521 HG2 GLU 63 2HG GLU 63 13.744 4.096 -4.997 522 HG3 GLU 63 3HG GLU 63 12.600 5.174 -4.210 523 H VAL 64 H VAL 64 12.153 0.028 -3.961 524 HA VAL 64 HA VAL 64 11.217 -0.884 -1.331 525 HB VAL 64 HB VAL 64 9.856 -1.684 -3.160 526 HG11 VAL 64 1HG1 VAL 64 12.331 -2.828 -4.497 527 HG12 VAL 64 2HG1 VAL 64 11.392 -1.443 -5.054 528 HG13 VAL 64 3HG1 VAL 64 10.664 -3.050 -5.044 529 HG21 VAL 64 1HG2 VAL 64 10.221 -3.298 -1.360 530 HG22 VAL 64 2HG2 VAL 64 11.610 -3.969 -2.218 531 HG23 VAL 64 3HG2 VAL 64 9.992 -4.127 -2.902 532 H THR 65 H THR 65 12.656 -1.653 0.066 533 HA THR 65 HA THR 65 15.092 -3.064 -0.833 534 HB THR 65 HB THR 65 14.931 -1.076 1.488 535 HG1 THR 65 HG1 THR 65 15.792 -0.896 -1.165 536 HG21 THR 65 1HG2 THR 65 17.299 -2.694 0.464 537 HG22 THR 65 2HG2 THR 65 16.479 -2.944 2.006 538 HG23 THR 65 3HG2 THR 65 17.376 -1.452 1.716 539 H THR 66 H THR 66 15.260 -5.028 0.063 540 HA THR 66 HA THR 66 13.247 -5.931 1.980 541 HB THR 66 HB THR 66 14.280 -8.212 1.472 542 HG1 THR 66 HG1 THR 66 15.903 -8.341 0.011 543 HG21 THR 66 1HG2 THR 66 13.342 -8.372 -0.792 544 HG22 THR 66 2HG2 THR 66 13.344 -6.615 -0.945 545 HG23 THR 66 3HG2 THR 66 12.291 -7.400 0.235 546 H ASP 67 H ASP 67 13.772 -7.082 3.850 547 HA ASP 67 HA ASP 67 16.478 -6.895 5.003 548 HB2 ASP 67 2HB ASP 67 15.248 -4.935 5.866 549 HB3 ASP 67 3HB ASP 67 13.890 -5.940 6.335 550 H GLY 68 H GLY 68 16.663 -9.073 4.584 551 HA2 GLY 68 2HA GLY 68 16.577 -11.320 4.972 552 HA3 GLY 68 3HA GLY 68 15.606 -10.985 6.399 553 H ASN 69 H ASN 69 13.442 -11.290 6.319 554 HA ASN 69 HA ASN 69 12.190 -12.234 3.800 555 HB2 ASN 69 2HB ASN 69 11.698 -12.999 6.707 556 HB3 ASN 69 3HB ASN 69 10.502 -13.326 5.461 557 HD21 ASN 69 1HD2 ASN 69 12.050 -15.153 7.159 558 HD22 ASN 69 2HD2 ASN 69 12.830 -16.235 6.064 559 H THR 70 H THR 70 12.202 -9.662 6.017 560 HA THR 70 HA THR 70 9.398 -8.904 5.471 561 HB THR 70 HB THR 70 11.378 -7.663 7.435 562 HG1 THR 70 HG1 THR 70 10.860 -9.645 8.230 563 HG21 THR 70 1HG2 THR 70 8.384 -7.231 7.102 564 HG22 THR 70 2HG2 THR 70 9.650 -6.049 6.765 565 HG23 THR 70 3HG2 THR 70 9.366 -6.588 8.420 566 H VAL 71 H VAL 71 9.071 -7.555 3.850 567 HA VAL 71 HA VAL 71 11.235 -6.100 2.541 568 HB VAL 71 HB VAL 71 8.276 -6.318 1.776 569 HG11 VAL 71 1HG1 VAL 71 9.046 -5.648 -0.486 570 HG12 VAL 71 2HG1 VAL 71 10.680 -5.422 0.142 571 HG13 VAL 71 3HG1 VAL 71 9.364 -4.396 0.718 572 HG21 VAL 71 1HG2 VAL 71 8.968 -8.064 0.182 573 HG22 VAL 71 2HG2 VAL 71 9.325 -8.541 1.844 574 HG23 VAL 71 3HG2 VAL 71 10.623 -7.976 0.790 575 H ASN 72 H ASN 72 11.357 -3.872 2.420 576 HA ASN 72 HA ASN 72 9.447 -2.225 3.987 577 HB2 ASN 72 2HB ASN 72 12.494 -1.956 3.843 578 HB3 ASN 72 3HB ASN 72 11.419 -0.820 4.655 579 HD21 ASN 72 1HD2 ASN 72 12.863 -4.004 4.818 580 HD22 ASN 72 2HD2 ASN 72 12.420 -4.332 6.453 581 H VAL 73 H VAL 73 8.303 -1.359 2.347 582 HA VAL 73 HA VAL 73 9.624 -0.236 -0.024 583 HB VAL 73 HB VAL 73 6.631 -0.461 0.593 584 HG11 VAL 73 1HG1 VAL 73 8.055 0.262 -2.002 585 HG12 VAL 73 2HG1 VAL 73 7.102 1.355 -0.994 586 HG13 VAL 73 3HG1 VAL 73 6.316 0.014 -1.825 587 HG21 VAL 73 1HG2 VAL 73 6.622 -2.361 -0.996 588 HG22 VAL 73 2HG2 VAL 73 7.663 -2.686 0.393 589 HG23 VAL 73 3HG2 VAL 73 8.378 -2.234 -1.155 590 H THR 74 H THR 74 10.491 1.704 0.424 591 HA THR 74 HA THR 74 9.145 3.717 2.055 592 HB THR 74 HB THR 74 11.751 3.833 0.461 593 HG1 THR 74 HG1 THR 74 11.072 2.918 2.984 594 HG21 THR 74 1HG2 THR 74 10.639 5.803 2.507 595 HG22 THR 74 2HG2 THR 74 10.852 6.113 0.781 596 HG23 THR 74 3HG2 THR 74 12.261 5.861 1.812 597 H VAL 75 H VAL 75 7.443 4.660 1.081 598 HA VAL 75 HA VAL 75 7.644 5.613 -1.698 599 HB VAL 75 HB VAL 75 6.307 3.648 -1.899 600 HG11 VAL 75 1HG1 VAL 75 4.348 3.113 -0.563 601 HG12 VAL 75 2HG1 VAL 75 4.568 4.581 0.391 602 HG13 VAL 75 3HG1 VAL 75 5.771 3.290 0.466 603 HG21 VAL 75 1HG2 VAL 75 4.115 4.500 -2.679 604 HG22 VAL 75 2HG2 VAL 75 5.446 5.535 -3.199 605 HG23 VAL 75 3HG2 VAL 75 4.422 6.031 -1.851 606 H GLU 76 H GLU 76 7.523 7.711 -1.713 607 HA GLU 76 HA GLU 76 6.073 9.263 0.326 608 HB2 GLU 76 2HB GLU 76 8.451 9.849 -0.224 609 HB3 GLU 76 3HB GLU 76 7.973 10.166 -1.889 610 HG2 GLU 76 2HG GLU 76 6.362 11.924 -0.945 611 HG3 GLU 76 3HG GLU 76 7.189 11.713 0.595 612 H LEU 77 H LEU 77 4.290 10.492 -0.198 613 HA LEU 77 HA LEU 77 3.477 10.830 -3.022 614 HB2 LEU 77 2HB LEU 77 1.502 10.133 -0.801 615 HB3 LEU 77 3HB LEU 77 1.144 10.390 -2.497 616 HG LEU 77 HG LEU 77 2.790 8.281 -2.824 617 HD11 LEU 77 1HD1 LEU 77 3.412 8.063 -0.483 618 HD12 LEU 77 2HD1 LEU 77 2.566 6.625 -1.044 619 HD13 LEU 77 3HD1 LEU 77 1.727 7.804 -0.029 620 HD21 LEU 77 1HD2 LEU 77 -0.101 7.980 -1.962 621 HD22 LEU 77 2HD2 LEU 77 0.848 6.808 -2.883 622 HD23 LEU 77 3HD2 LEU 77 0.468 8.378 -3.586 623 H GLU 78 H GLU 78 2.447 12.851 -3.464 624 HA GLU 78 HA GLU 78 2.810 14.799 -1.260 625 HB2 GLU 78 2HB GLU 78 3.215 16.489 -2.764 626 HB3 GLU 78 3HB GLU 78 3.810 15.133 -3.693 627 HG2 GLU 78 2HG GLU 78 1.069 16.353 -4.105 628 HG3 GLU 78 3HG GLU 78 2.510 16.931 -4.918 629 H GLU 79 H GLU 79 1.132 14.958 -0.003 630 HA GLU 79 HA GLU 79 -1.596 14.531 -0.877 631 HB2 GLU 79 2HB GLU 79 -0.530 15.241 1.894 632 HB3 GLU 79 3HB GLU 79 -2.170 14.719 1.510 633 HG2 GLU 79 2HG GLU 79 -1.099 12.553 0.609 634 HG3 GLU 79 3HG GLU 79 0.378 13.097 1.404 635 H THR 80 H THR 80 -2.483 16.134 -1.927 636 HA THR 80 HA THR 80 -2.102 18.946 -1.164 637 HB THR 80 HB THR 80 -3.298 17.782 -3.734 638 HG1 THR 80 HG1 THR 80 -1.023 17.265 -3.390 639 HG21 THR 80 1HG2 THR 80 -3.962 20.136 -3.301 640 HG22 THR 80 2HG2 THR 80 -2.880 20.022 -4.687 641 HG23 THR 80 3HG2 THR 80 -2.263 20.585 -3.131 642 H THR 81 H THR 81 -3.598 19.461 0.328 643 HA THR 81 HA THR 81 -6.438 19.218 -0.261 644 HB THR 81 HB THR 81 -6.102 17.191 1.040 645 HG1 THR 81 HG1 THR 81 -7.303 18.043 3.091 646 HG21 THR 81 1HG2 THR 81 -4.822 18.906 3.205 647 HG22 THR 81 2HG2 THR 81 -3.989 17.727 2.188 648 HG23 THR 81 3HG2 THR 81 -5.209 17.188 3.342 649 H GLY 82 H GLY 82 -7.607 20.942 0.521 650 HA2 GLY 82 2HA GLY 82 -8.123 22.945 1.518 651 HA3 GLY 82 3HA GLY 82 -6.888 22.595 2.713 652 H GLY 83 H GLY 83 -6.071 22.769 -0.677 653 HA2 GLY 83 2HA GLY 83 -5.151 24.445 -1.987 654 HA3 GLY 83 3HA GLY 83 -5.234 25.567 -0.639 655 H THR 84 H THR 84 -3.774 22.918 0.662 656 HA THR 84 HA THR 84 -1.053 23.875 -0.027 657 HB THR 84 HB THR 84 -1.653 24.502 2.282 658 HG1 THR 84 HG1 THR 84 0.270 23.891 3.092 659 HG21 THR 84 1HG2 THR 84 -1.954 21.527 2.841 660 HG22 THR 84 2HG2 THR 84 -3.261 22.714 2.847 661 HG23 THR 84 3HG2 THR 84 -1.974 22.810 4.050 662 H THR 85 H THR 85 0.463 22.417 -0.564 663 HA THR 85 HA THR 85 -0.209 19.554 -0.760 664 HB THR 85 HB THR 85 2.023 21.208 -2.026 665 HG1 THR 85 HG1 THR 85 -0.209 20.050 -3.348 666 HG21 THR 85 1HG2 THR 85 2.425 19.287 -3.500 667 HG22 THR 85 2HG2 THR 85 1.234 18.340 -2.607 668 HG23 THR 85 3HG2 THR 85 2.723 18.862 -1.813 669 H THR 86 H THR 86 1.117 17.988 0.251 670 HA THR 86 HA THR 86 3.482 18.798 1.805 671 HB THR 86 HB THR 86 1.109 17.282 3.017 672 HG1 THR 86 HG1 THR 86 1.838 19.928 2.992 673 HG21 THR 86 1HG2 THR 86 3.768 18.038 4.307 674 HG22 THR 86 2HG2 THR 86 3.262 16.399 3.888 675 HG23 THR 86 3HG2 THR 86 2.394 17.297 5.132 676 H ASN 87 H ASN 87 5.045 17.456 1.007 677 HA ASN 87 HA ASN 87 4.460 14.854 -0.124 678 HB2 ASN 87 2HB ASN 87 7.075 16.331 0.437 679 HB3 ASN 87 3HB ASN 87 7.024 14.724 -0.278 680 HD21 ASN 87 1HD2 ASN 87 6.362 14.487 -2.413 681 HD22 ASN 87 2HD2 ASN 87 6.151 15.834 -3.481 682 H THR 88 H THR 88 3.766 13.422 1.299 683 HA THR 88 HA THR 88 4.960 13.122 3.977 684 HB THR 88 HB THR 88 2.334 11.964 2.913 685 HG1 THR 88 HG1 THR 88 1.382 13.780 3.497 686 HG21 THR 88 1HG2 THR 88 1.733 11.750 5.313 687 HG22 THR 88 2HG2 THR 88 3.325 12.362 5.774 688 HG23 THR 88 3HG2 THR 88 3.181 10.810 4.943 689 H THR 89 H THR 89 6.213 11.388 4.394 690 HA THR 89 HA THR 89 6.586 9.337 2.336 691 HB THR 89 HB THR 89 8.274 9.946 4.802 692 HG1 THR 89 HG1 THR 89 8.072 11.551 2.951 693 HG21 THR 89 1HG2 THR 89 8.623 7.625 3.996 694 HG22 THR 89 2HG2 THR 89 10.038 8.624 3.659 695 HG23 THR 89 3HG2 THR 89 8.909 8.232 2.362 696 H TYR 90 H TYR 90 5.470 7.539 2.547 697 HA TYR 90 HA TYR 90 4.752 6.406 5.177 698 HB2 TYR 90 2HB TYR 90 3.689 5.825 2.371 699 HB3 TYR 90 3HB TYR 90 3.169 4.980 3.827 700 HD1 TYR 90 HD1 TYR 90 2.964 8.164 1.944 701 HD2 TYR 90 HD2 TYR 90 1.682 6.064 5.437 702 HE1 TYR 90 HE1 TYR 90 1.206 9.849 2.316 703 HE2 TYR 90 HE2 TYR 90 -0.062 7.743 5.806 704 HH TYR 90 HH TYR 90 -0.905 10.111 3.485 705 H GLU 91 H GLU 91 5.883 4.658 5.835 706 HA GLU 91 HA GLU 91 7.508 3.127 3.871 707 HB2 GLU 91 2HB GLU 91 7.866 3.307 6.904 708 HB3 GLU 91 3HB GLU 91 8.946 2.511 5.763 709 HG2 GLU 91 2HG GLU 91 9.642 4.615 4.812 710 HG3 GLU 91 3HG GLU 91 8.398 5.495 5.697 711 H LEU 92 H LEU 92 6.140 1.539 3.224 712 HA LEU 92 HA LEU 92 4.352 0.216 5.127 713 HB2 LEU 92 2HB LEU 92 4.621 0.019 2.098 714 HB3 LEU 92 3HB LEU 92 3.596 -1.059 3.030 715 HG LEU 92 HG LEU 92 2.313 0.961 3.857 716 HD11 LEU 92 1HD1 LEU 92 3.909 2.451 1.777 717 HD12 LEU 92 2HD1 LEU 92 3.974 2.685 3.525 718 HD13 LEU 92 3HD1 LEU 92 2.501 3.077 2.642 719 HD21 LEU 92 1HD2 LEU 92 1.451 -0.432 2.025 720 HD22 LEU 92 2HD2 LEU 92 2.315 0.566 0.851 721 HD23 LEU 92 3HD2 LEU 92 1.003 1.261 1.810 722 H ARG 93 H ARG 93 5.308 -1.186 6.322 723 HA ARG 93 HA ARG 93 7.572 -2.798 5.445 724 HB2 ARG 93 2HB ARG 93 7.524 -1.560 7.666 725 HB3 ARG 93 3HB ARG 93 6.219 -2.620 8.184 726 HG2 ARG 93 2HG ARG 93 7.850 -4.563 7.736 727 HG3 ARG 93 3HG ARG 93 9.108 -3.328 7.636 728 HD2 ARG 93 2HD ARG 93 9.077 -4.221 9.887 729 HD3 ARG 93 3HD ARG 93 8.464 -2.565 9.936 730 HE ARG 93 HE ARG 93 6.346 -3.363 10.458 731 HH11 ARG 93 1HH1 ARG 93 8.489 -6.083 9.828 732 HH12 ARG 93 2HH1 ARG 93 7.389 -7.250 10.478 733 HH21 ARG 93 1HH2 ARG 93 4.894 -4.932 11.279 734 HH22 ARG 93 2HH2 ARG 93 5.370 -6.605 11.294 735 H PHE 94 H PHE 94 6.759 -4.388 4.147 736 HA PHE 94 HA PHE 94 4.350 -5.887 4.837 737 HB2 PHE 94 2HB PHE 94 6.280 -5.999 2.472 738 HB3 PHE 94 3HB PHE 94 4.918 -7.097 2.651 739 HD1 PHE 94 HD1 PHE 94 5.916 -3.650 1.842 740 HD2 PHE 94 HD2 PHE 94 2.592 -6.283 2.421 741 HE1 PHE 94 HE1 PHE 94 4.430 -2.029 0.745 742 HE2 PHE 94 HE2 PHE 94 1.116 -4.647 1.323 743 HZ PHE 94 HZ PHE 94 2.035 -2.522 0.484 744 H GLU 95 H GLU 95 4.585 -7.343 6.378 745 HA GLU 95 HA GLU 95 7.074 -8.879 6.702 746 HB2 GLU 95 2HB GLU 95 6.065 -7.665 8.674 747 HB3 GLU 95 3HB GLU 95 4.653 -8.705 8.546 748 HG2 GLU 95 2HG GLU 95 6.184 -10.684 8.910 749 HG3 GLU 95 3HG GLU 95 7.489 -9.547 9.244 750 H VAL 96 H VAL 96 7.124 -11.020 6.191 751 HA VAL 96 HA VAL 96 4.767 -12.270 5.028 752 HB VAL 96 HB VAL 96 6.196 -14.149 4.410 753 HG11 VAL 96 1HG1 VAL 96 7.570 -11.503 3.820 754 HG12 VAL 96 2HG1 VAL 96 6.223 -12.209 2.926 755 HG13 VAL 96 3HG1 VAL 96 7.796 -13.005 2.916 756 HG21 VAL 96 1HG2 VAL 96 8.446 -12.817 5.977 757 HG22 VAL 96 2HG2 VAL 96 8.616 -14.234 4.937 758 HG23 VAL 96 3HG2 VAL 96 7.629 -14.326 6.395 759 H ASP 97 H ASP 97 3.595 -13.873 5.906 760 HA ASP 97 HA ASP 97 4.312 -14.974 8.561 761 HB2 ASP 97 2HB ASP 97 2.029 -14.038 8.410 762 HB3 ASP 97 3HB ASP 97 1.686 -15.020 6.996 763 H GLY 98 H GLY 98 5.617 -16.645 8.243 764 HA2 GLY 98 2HA GLY 98 6.422 -18.672 7.560 765 HA3 GLY 98 3HA GLY 98 4.984 -18.902 6.572 766 H ASP 99 H ASP 99 5.011 -18.288 4.429 767 HA ASP 99 HA ASP 99 7.658 -17.598 3.270 768 HB2 ASP 99 2HB ASP 99 7.293 -19.298 1.554 769 HB3 ASP 99 3HB ASP 99 7.179 -20.041 3.144 770 H THR 100 H THR 100 4.558 -16.511 3.554 771 HA THR 100 HA THR 100 4.651 -14.982 1.038 772 HB THR 100 HB THR 100 3.159 -16.830 0.494 773 HG1 THR 100 HG1 THR 100 1.327 -15.604 -0.045 774 HG21 THR 100 1HG2 THR 100 1.502 -16.071 2.931 775 HG22 THR 100 2HG2 THR 100 2.500 -17.523 2.782 776 HG23 THR 100 3HG2 THR 100 1.093 -17.308 1.737 777 H ILE 101 H ILE 101 3.447 -12.984 1.115 778 HA ILE 101 HA ILE 101 3.792 -11.706 3.678 779 HB ILE 101 HB ILE 101 2.586 -10.387 1.204 780 HG12 ILE 101 2HG1 ILE 101 5.563 -10.556 1.861 781 HG13 ILE 101 3HG1 ILE 101 4.770 -11.517 0.621 782 HG21 ILE 101 1HG2 ILE 101 4.147 -9.242 3.559 783 HG22 ILE 101 2HG2 ILE 101 2.405 -9.110 3.309 784 HG23 ILE 101 3HG2 ILE 101 3.517 -8.315 2.195 785 HD11 ILE 101 1HD1 ILE 101 5.938 -9.633 -0.336 786 HD12 ILE 101 2HD1 ILE 101 4.993 -8.508 0.638 787 HD13 ILE 101 3HD1 ILE 101 4.203 -9.486 -0.605 788 H ARG 102 H ARG 102 2.257 -11.558 5.196 789 HA ARG 102 HA ARG 102 -0.619 -11.470 4.499 790 HB2 ARG 102 2HB ARG 102 0.669 -13.187 6.670 791 HB3 ARG 102 3HB ARG 102 -1.066 -12.940 6.509 792 HG2 ARG 102 2HG ARG 102 0.755 -14.351 4.531 793 HG3 ARG 102 3HG ARG 102 -0.464 -15.098 5.567 794 HD2 ARG 102 2HD ARG 102 -2.224 -13.823 4.379 795 HD3 ARG 102 3HD ARG 102 -0.996 -13.122 3.327 796 HE ARG 102 HE ARG 102 -1.692 -15.998 3.417 797 HH11 ARG 102 1HH1 ARG 102 -0.633 -13.193 1.562 798 HH12 ARG 102 2HH1 ARG 102 -0.623 -14.059 0.060 799 HH21 ARG 102 1HH2 ARG 102 -1.706 -17.085 1.458 800 HH22 ARG 102 2HH2 ARG 102 -1.232 -16.266 0.003 801 H ARG 103 H ARG 103 1.630 -9.547 5.474 802 HA ARG 103 HA ARG 103 0.012 -8.150 7.455 803 HB2 ARG 103 2HB ARG 103 1.437 -9.722 8.761 804 HB3 ARG 103 3HB ARG 103 2.876 -9.027 8.041 805 HG2 ARG 103 2HG ARG 103 2.613 -6.975 9.234 806 HG3 ARG 103 3HG ARG 103 0.951 -7.355 9.689 807 HD2 ARG 103 2HD ARG 103 3.396 -8.882 10.669 808 HD3 ARG 103 3HD ARG 103 2.575 -7.611 11.574 809 HE ARG 103 HE ARG 103 0.657 -9.019 11.793 810 HH11 ARG 103 1HH1 ARG 103 3.445 -10.725 10.454 811 HH12 ARG 103 2HH1 ARG 103 2.812 -12.295 10.839 812 HH21 ARG 103 1HH2 ARG 103 -0.160 -11.088 12.264 813 HH22 ARG 103 2HH2 ARG 103 0.769 -12.502 11.867 814 H VAL 104 H VAL 104 0.208 -6.011 7.261 815 HA VAL 104 HA VAL 104 2.567 -4.788 6.003 816 HB VAL 104 HB VAL 104 0.955 -4.859 4.177 817 HG11 VAL 104 1HG1 VAL 104 -1.129 -5.175 5.420 818 HG12 VAL 104 2HG1 VAL 104 -1.288 -3.861 4.252 819 HG13 VAL 104 3HG1 VAL 104 -1.079 -3.497 5.968 820 HG21 VAL 104 1HG2 VAL 104 1.070 -2.032 5.311 821 HG22 VAL 104 2HG2 VAL 104 0.731 -2.451 3.630 822 HG23 VAL 104 3HG2 VAL 104 2.311 -2.810 4.325 823 H THR 105 H THR 105 3.379 -3.408 7.447 824 HA THR 105 HA THR 105 1.608 -1.965 9.334 825 HB THR 105 HB THR 105 4.608 -2.508 9.612 826 HG1 THR 105 HG1 THR 105 2.354 -3.933 10.610 827 HG21 THR 105 1HG2 THR 105 4.258 -1.876 11.980 828 HG22 THR 105 2HG2 THR 105 2.572 -1.488 11.630 829 HG23 THR 105 3HG2 THR 105 3.868 -0.543 10.891 830 H VAL 106 H VAL 106 1.178 -0.052 8.327 831 HA VAL 106 HA VAL 106 3.173 1.295 6.673 832 HB VAL 106 HB VAL 106 0.927 1.243 5.753 833 HG11 VAL 106 1HG1 VAL 106 -0.088 2.695 8.210 834 HG12 VAL 106 2HG1 VAL 106 -0.416 1.018 7.781 835 HG13 VAL 106 3HG1 VAL 106 -1.037 2.323 6.766 836 HG21 VAL 106 1HG2 VAL 106 0.536 3.648 5.286 837 HG22 VAL 106 2HG2 VAL 106 2.253 3.244 5.237 838 HG23 VAL 106 3HG2 VAL 106 1.588 4.076 6.640 839 H THR 107 H THR 107 4.676 2.359 7.751 840 HA THR 107 HA THR 107 4.138 3.784 10.260 841 HB THR 107 HB THR 107 6.794 3.298 8.822 842 HG1 THR 107 HG1 THR 107 5.378 1.473 9.871 843 HG21 THR 107 1HG2 THR 107 7.808 3.840 11.031 844 HG22 THR 107 2HG2 THR 107 6.210 4.233 11.667 845 HG23 THR 107 3HG2 THR 107 6.914 5.213 10.377 846 H GLN 108 H GLN 108 3.215 5.680 9.824 847 HA GLN 108 HA GLN 108 4.012 7.380 7.597 848 HB2 GLN 108 2HB GLN 108 1.612 7.121 8.194 849 HB3 GLN 108 3HB GLN 108 1.928 7.779 9.795 850 HG2 GLN 108 2HG GLN 108 2.457 9.952 8.865 851 HG3 GLN 108 3HG GLN 108 2.361 9.325 7.218 852 HE21 GLN 108 1HE2 GLN 108 0.845 11.517 8.418 853 HE22 GLN 108 2HE2 GLN 108 -0.817 11.092 8.248 854 H ASN 109 H ASN 109 5.538 8.909 7.801 855 HA ASN 109 HA ASN 109 7.097 9.158 10.177 856 HB2 ASN 109 2HB ASN 109 7.153 10.676 7.532 857 HB3 ASN 109 3HB ASN 109 8.332 10.927 8.812 858 HD21 ASN 109 1HD2 ASN 109 7.062 7.695 7.931 859 HD22 ASN 109 2HD2 ASN 109 8.547 7.116 7.287 860 H GLY 110 H GLY 110 7.624 11.228 11.253 861 HA2 GLY 110 2HA GLY 110 7.149 13.365 12.065 862 HA3 GLY 110 3HA GLY 110 5.645 13.396 11.158 863 H GLY 111 H GLY 111 6.904 13.283 14.208 864 HA2 GLY 111 2HA GLY 111 5.737 13.312 16.223 865 HA3 GLY 111 3HA GLY 111 4.347 12.592 15.430 866 H SER 112 H SER 112 7.683 11.343 15.445 867 HA SER 112 HA SER 112 6.738 8.766 16.481 868 HB2 SER 112 2HB SER 112 9.510 9.579 15.478 869 HB3 SER 112 3HB SER 112 8.957 7.932 15.802 870 HG SER 112 HG SER 112 7.208 8.615 14.177 871 H LEU 113 H LEU 113 6.235 9.723 18.608 872 HA LEU 113 HA LEU 113 8.301 10.583 20.407 873 HB2 LEU 113 2HB LEU 113 5.408 9.737 20.825 874 HB3 LEU 113 3HB LEU 113 6.456 10.040 22.195 875 HG LEU 113 HG LEU 113 5.079 11.997 21.808 876 HD11 LEU 113 1HD1 LEU 113 7.351 12.411 22.614 877 HD12 LEU 113 2HD1 LEU 113 6.769 13.750 21.628 878 HD13 LEU 113 3HD1 LEU 113 7.923 12.599 20.954 879 HD21 LEU 113 1HD2 LEU 113 6.189 12.123 18.984 880 HD22 LEU 113 2HD2 LEU 113 5.134 13.323 19.735 881 HD23 LEU 113 3HD2 LEU 113 4.540 11.692 19.437 882 H GLU 114 H GLU 114 9.924 9.144 20.682 883 HA GLU 114 HA GLU 114 9.466 6.332 21.246 884 HB2 GLU 114 2HB GLU 114 12.031 7.974 21.331 885 HB3 GLU 114 3HB GLU 114 11.937 6.223 21.508 886 HG2 GLU 114 2HG GLU 114 10.958 6.084 19.205 887 HG3 GLU 114 3HG GLU 114 11.204 7.820 19.036 888 H HIS 115 H HIS 115 9.418 5.396 23.229 889 HA HIS 115 HA HIS 115 9.126 7.149 25.555 890 HB2 HIS 115 2HB HIS 115 8.505 4.178 25.220 891 HB3 HIS 115 3HB HIS 115 8.134 5.129 26.656 892 HD1 HIS 115 HD1 HIS 115 5.773 3.844 25.594 893 HD2 HIS 115 HD2 HIS 115 7.069 7.435 23.952 894 HE1 HIS 115 HE1 HIS 115 3.758 4.844 24.478 895 HE2 HIS 115 HE2 HIS 115 4.541 7.069 23.622 896 H HIS 116 H HIS 116 11.331 7.658 25.772 897 HA HIS 116 HA HIS 116 13.132 5.540 26.784 898 HB2 HIS 116 2HB HIS 116 14.072 6.777 24.881 899 HB3 HIS 116 3HB HIS 116 13.746 8.314 25.671 900 HD1 HIS 116 HD1 HIS 116 16.056 5.324 25.877 901 HD2 HIS 116 HD2 HIS 116 15.707 9.139 27.488 902 HE1 HIS 116 HE1 HIS 116 18.212 5.749 27.096 903 HE2 HIS 116 HE2 HIS 116 17.855 7.947 28.252 904 H HIS 117 H HIS 117 12.913 5.383 28.936 905 HA HIS 117 HA HIS 117 13.156 7.793 30.633 906 HB2 HIS 117 2HB HIS 117 11.247 5.474 31.205 907 HB3 HIS 117 3HB HIS 117 11.497 6.890 32.225 908 HD1 HIS 117 HD1 HIS 117 9.473 5.623 29.470 909 HD2 HIS 117 HD2 HIS 117 10.470 9.353 30.998 910 HE1 HIS 117 HE1 HIS 117 7.845 7.229 28.436 911 HE2 HIS 117 HE2 HIS 117 8.463 9.474 29.380 912 H HIS 118 H HIS 118 14.017 7.337 32.765 913 HA HIS 118 HA HIS 118 16.048 5.287 32.814 914 HB2 HIS 118 2HB HIS 118 15.151 7.356 34.866 915 HB3 HIS 118 3HB HIS 118 16.403 6.171 35.221 916 HD1 HIS 118 HD1 HIS 118 18.678 6.413 33.976 917 HD2 HIS 118 HD2 HIS 118 15.975 9.479 33.203 918 HE1 HIS 118 HE1 HIS 118 20.026 8.255 32.933 919 HE2 HIS 118 HE2 HIS 118 18.403 10.148 32.619 920 H HIS 119 H HIS 119 12.787 5.577 34.056 921 HA HIS 119 HA HIS 119 12.919 2.806 35.086 922 HB2 HIS 119 2HB HIS 119 11.744 5.200 36.564 923 HB3 HIS 119 3HB HIS 119 11.342 3.533 36.969 924 HD1 HIS 119 HD1 HIS 119 13.330 6.030 38.298 925 HD2 HIS 119 HD2 HIS 119 14.134 2.090 37.239 926 HE1 HIS 119 HE1 HIS 119 15.380 5.378 39.601 927 HE2 HIS 119 HE2 HIS 119 15.702 2.937 39.092 928 H HIS 120 H HIS 120 11.210 1.555 34.579 929 HA HIS 120 HA HIS 120 9.125 2.579 32.842 930 HB2 HIS 120 2HB HIS 120 8.375 0.162 32.704 931 HB3 HIS 120 3HB HIS 120 10.020 0.460 32.172 932 HD1 HIS 120 HD1 HIS 120 8.119 -1.029 35.072 933 HD2 HIS 120 HD2 HIS 120 11.944 -1.059 33.451 934 HE1 HIS 120 HE1 HIS 120 9.357 -2.821 36.313 935 HE2 HIS 120 HE2 HIS 120 11.718 -2.669 35.455 Start of MODEL 19 1 H1 MET 1 1H MET 1 4.079 -13.183 -2.688 2 H2 MET 1 2H MET 1 5.331 -13.172 -3.828 3 H3 MET 1 3H MET 1 5.380 -14.258 -2.530 4 HA MET 1 HA MET 1 3.457 -15.400 -3.330 5 HB2 MET 1 2HB MET 1 2.369 -13.456 -4.427 6 HB3 MET 1 3HB MET 1 3.606 -13.455 -5.671 7 HG2 MET 1 2HG MET 1 2.813 -15.695 -6.418 8 HG3 MET 1 3HG MET 1 1.544 -15.619 -5.198 9 HE1 MET 1 1HE MET 1 1.780 -12.682 -8.771 10 HE2 MET 1 2HE MET 1 2.996 -13.920 -8.462 11 HE3 MET 1 3HE MET 1 2.839 -12.542 -7.369 12 H GLN 2 H GLN 2 5.061 -14.581 -6.419 13 HA GLN 2 HA GLN 2 6.674 -17.012 -6.327 14 HB2 GLN 2 2HB GLN 2 7.433 -16.394 -8.583 15 HB3 GLN 2 3HB GLN 2 5.679 -16.322 -8.490 16 HG2 GLN 2 2HG GLN 2 5.715 -13.896 -8.403 17 HG3 GLN 2 3HG GLN 2 7.473 -13.880 -8.283 18 HE21 GLN 2 1HE2 GLN 2 5.799 -12.567 -10.261 19 HE22 GLN 2 2HE2 GLN 2 6.291 -13.178 -11.802 20 H ASP 3 H ASP 3 6.924 -13.692 -5.549 21 HA ASP 3 HA ASP 3 9.700 -13.905 -4.713 22 HB2 ASP 3 2HB ASP 3 9.846 -13.074 -7.047 23 HB3 ASP 3 3HB ASP 3 8.717 -11.777 -6.672 24 H ILE 4 H ILE 4 10.347 -12.064 -3.378 25 HA ILE 4 HA ILE 4 8.260 -11.293 -1.506 26 HB ILE 4 HB ILE 4 11.291 -10.964 -1.462 27 HG12 ILE 4 2HG1 ILE 4 10.664 -13.305 -1.283 28 HG13 ILE 4 3HG1 ILE 4 11.212 -12.763 0.296 29 HG21 ILE 4 1HG2 ILE 4 11.060 -10.401 0.964 30 HG22 ILE 4 2HG2 ILE 4 9.317 -10.274 0.729 31 HG23 ILE 4 3HG2 ILE 4 10.400 -9.173 -0.117 32 HD11 ILE 4 1HD1 ILE 4 9.310 -14.213 0.528 33 HD12 ILE 4 2HD1 ILE 4 8.350 -13.217 -0.560 34 HD13 ILE 4 3HD1 ILE 4 8.841 -12.584 1.013 35 H VAL 5 H VAL 5 10.762 -9.662 -3.495 36 HA VAL 5 HA VAL 5 10.264 -7.019 -2.575 37 HB VAL 5 HB VAL 5 11.582 -7.774 -5.228 38 HG11 VAL 5 1HG1 VAL 5 11.156 -5.363 -4.961 39 HG12 VAL 5 2HG1 VAL 5 12.886 -5.710 -4.943 40 HG13 VAL 5 3HG1 VAL 5 12.041 -5.369 -3.430 41 HG21 VAL 5 1HG2 VAL 5 12.951 -7.609 -2.522 42 HG22 VAL 5 2HG2 VAL 5 13.734 -7.928 -4.073 43 HG23 VAL 5 3HG2 VAL 5 12.598 -9.098 -3.401 44 H GLU 6 H GLU 6 9.247 -8.835 -5.423 45 HA GLU 6 HA GLU 6 7.811 -6.903 -6.859 46 HB2 GLU 6 2HB GLU 6 8.413 -9.037 -7.876 47 HB3 GLU 6 3HB GLU 6 7.477 -9.929 -6.678 48 HG2 GLU 6 2HG GLU 6 5.413 -8.747 -7.594 49 HG3 GLU 6 3HG GLU 6 6.422 -8.168 -8.915 50 H ALA 7 H ALA 7 6.637 -9.389 -4.563 51 HA ALA 7 HA ALA 7 3.898 -8.711 -4.719 52 HB1 ALA 7 1HB ALA 7 3.602 -10.207 -2.795 53 HB2 ALA 7 2HB ALA 7 5.347 -10.223 -2.519 54 HB3 ALA 7 3HB ALA 7 4.679 -10.924 -3.995 55 H ALA 8 H ALA 8 6.509 -7.489 -2.738 56 HA ALA 8 HA ALA 8 4.957 -6.086 -0.789 57 HB1 ALA 8 1HB ALA 8 7.079 -5.002 -0.226 58 HB2 ALA 8 2HB ALA 8 7.809 -5.616 -1.715 59 HB3 ALA 8 3HB ALA 8 7.308 -6.736 -0.447 60 H LYS 9 H LYS 9 6.604 -5.121 -3.790 61 HA LYS 9 HA LYS 9 6.089 -2.332 -3.586 62 HB2 LYS 9 2HB LYS 9 7.979 -3.357 -4.872 63 HB3 LYS 9 3HB LYS 9 6.825 -3.966 -6.054 64 HG2 LYS 9 2HG LYS 9 6.176 -1.609 -6.578 65 HG3 LYS 9 3HG LYS 9 7.403 -1.047 -5.439 66 HD2 LYS 9 2HD LYS 9 9.161 -2.164 -6.826 67 HD3 LYS 9 3HD LYS 9 7.913 -2.652 -7.978 68 HE2 LYS 9 2HE LYS 9 7.391 -0.252 -8.385 69 HE3 LYS 9 3HE LYS 9 8.688 0.197 -7.275 70 HZ1 LYS 9 1HZ LYS 9 10.262 -0.936 -8.743 71 HZ2 LYS 9 2HZ LYS 9 9.440 0.312 -9.538 72 HZ3 LYS 9 3HZ LYS 9 9.006 -1.294 -9.826 73 H GLN 10 H GLN 10 4.599 -4.924 -5.523 74 HA GLN 10 HA GLN 10 2.613 -3.415 -6.833 75 HB2 GLN 10 2HB GLN 10 2.704 -6.373 -6.097 76 HB3 GLN 10 3HB GLN 10 1.420 -5.669 -7.073 77 HG2 GLN 10 2HG GLN 10 4.360 -5.747 -7.808 78 HG3 GLN 10 3HG GLN 10 3.092 -6.783 -8.469 79 HE21 GLN 10 1HE2 GLN 10 1.516 -5.843 -9.870 80 HE22 GLN 10 2HE2 GLN 10 1.812 -4.345 -10.682 81 H ALA 11 H ALA 11 2.618 -5.155 -3.718 82 HA ALA 11 HA ALA 11 -0.031 -4.755 -2.950 83 HB1 ALA 11 1HB ALA 11 1.499 -6.237 -1.753 84 HB2 ALA 11 2HB ALA 11 0.783 -5.068 -0.642 85 HB3 ALA 11 3HB ALA 11 2.446 -4.856 -1.200 86 H ALA 12 H ALA 12 2.829 -2.711 -2.360 87 HA ALA 12 HA ALA 12 1.699 -0.784 -0.709 88 HB1 ALA 12 1HB ALA 12 3.991 -0.423 -2.664 89 HB2 ALA 12 2HB ALA 12 4.119 -1.058 -1.025 90 HB3 ALA 12 3HB ALA 12 3.630 0.617 -1.275 91 H ILE 13 H ILE 13 2.205 -0.612 -4.241 92 HA ILE 13 HA ILE 13 1.139 1.975 -4.646 93 HB ILE 13 HB ILE 13 1.442 -0.314 -6.652 94 HG12 ILE 13 2HG1 ILE 13 3.373 1.982 -6.047 95 HG13 ILE 13 3HG1 ILE 13 3.575 0.329 -5.483 96 HG21 ILE 13 1HG2 ILE 13 -0.075 1.417 -7.533 97 HG22 ILE 13 2HG2 ILE 13 1.452 1.420 -8.416 98 HG23 ILE 13 3HG2 ILE 13 1.135 2.662 -7.204 99 HD11 ILE 13 1HD1 ILE 13 3.796 -0.432 -7.802 100 HD12 ILE 13 2HD1 ILE 13 5.005 0.777 -7.375 101 HD13 ILE 13 3HD1 ILE 13 3.618 1.234 -8.363 102 H ALA 14 H ALA 14 -0.341 -1.265 -4.798 103 HA ALA 14 HA ALA 14 -2.845 -0.510 -5.929 104 HB1 ALA 14 1HB ALA 14 -2.147 -2.956 -4.289 105 HB2 ALA 14 2HB ALA 14 -1.993 -2.798 -6.039 106 HB3 ALA 14 3HB ALA 14 -3.592 -2.754 -5.293 107 H ILE 15 H ILE 15 -1.692 -0.711 -2.599 108 HA ILE 15 HA ILE 15 -4.132 -0.395 -1.218 109 HB ILE 15 HB ILE 15 -1.249 0.272 -0.494 110 HG12 ILE 15 2HG1 ILE 15 -3.162 -1.885 0.522 111 HG13 ILE 15 3HG1 ILE 15 -1.889 -2.133 -0.661 112 HG21 ILE 15 1HG2 ILE 15 -2.608 1.888 0.769 113 HG22 ILE 15 2HG2 ILE 15 -1.904 0.682 1.848 114 HG23 ILE 15 3HG2 ILE 15 -3.605 0.574 1.397 115 HD11 ILE 15 1HD1 ILE 15 -1.511 -1.422 2.246 116 HD12 ILE 15 2HD1 ILE 15 -0.215 -1.606 1.062 117 HD13 ILE 15 3HD1 ILE 15 -1.224 -2.986 1.483 118 H PHE 16 H PHE 16 -1.922 1.979 -2.676 119 HA PHE 16 HA PHE 16 -3.390 4.311 -1.828 120 HB2 PHE 16 2HB PHE 16 -1.340 4.054 -4.069 121 HB3 PHE 16 3HB PHE 16 -1.900 5.564 -3.350 122 HD1 PHE 16 HD1 PHE 16 -1.786 5.333 -0.555 123 HD2 PHE 16 HD2 PHE 16 0.844 3.525 -3.403 124 HE1 PHE 16 HE1 PHE 16 -0.021 5.189 1.155 125 HE2 PHE 16 HE2 PHE 16 2.594 3.384 -1.685 126 HZ PHE 16 HZ PHE 16 2.161 4.215 0.590 127 H GLN 17 H GLN 17 -3.397 2.249 -4.688 128 HA GLN 17 HA GLN 17 -5.100 3.856 -6.320 129 HB2 GLN 17 2HB GLN 17 -4.447 0.892 -6.443 130 HB3 GLN 17 3HB GLN 17 -5.416 1.723 -7.656 131 HG2 GLN 17 2HG GLN 17 -3.500 3.187 -8.188 132 HG3 GLN 17 3HG GLN 17 -2.525 2.356 -6.977 133 HE21 GLN 17 1HE2 GLN 17 -1.789 0.236 -7.419 134 HE22 GLN 17 2HE2 GLN 17 -1.802 -0.427 -9.011 135 H LEU 18 H LEU 18 -5.743 1.622 -3.705 136 HA LEU 18 HA LEU 18 -8.620 1.661 -4.150 137 HB2 LEU 18 2HB LEU 18 -6.963 0.612 -1.830 138 HB3 LEU 18 3HB LEU 18 -8.720 0.587 -1.842 139 HG LEU 18 HG LEU 18 -6.883 -0.935 -3.731 140 HD11 LEU 18 1HD1 LEU 18 -7.805 -2.942 -2.686 141 HD12 LEU 18 2HD1 LEU 18 -8.791 -1.955 -1.602 142 HD13 LEU 18 3HD1 LEU 18 -7.030 -1.910 -1.485 143 HD21 LEU 18 1HD2 LEU 18 -8.854 -0.181 -4.974 144 HD22 LEU 18 2HD2 LEU 18 -9.922 -0.852 -3.739 145 HD23 LEU 18 3HD2 LEU 18 -8.912 -1.924 -4.713 146 H TRP 19 H TRP 19 -6.243 3.405 -2.133 147 HA TRP 19 HA TRP 19 -8.108 4.708 -0.462 148 HB2 TRP 19 2HB TRP 19 -5.250 5.374 -1.165 149 HB3 TRP 19 3HB TRP 19 -6.195 6.414 -0.105 150 HD1 TRP 19 HD1 TRP 19 -7.328 3.095 0.862 151 HE1 TRP 19 HE1 TRP 19 -6.005 2.210 2.878 152 HE3 TRP 19 HE3 TRP 19 -3.400 6.367 0.759 153 HZ2 TRP 19 HZ2 TRP 19 -3.616 2.818 4.255 154 HZ3 TRP 19 HZ3 TRP 19 -1.642 6.156 2.463 155 HH2 TRP 19 HH2 TRP 19 -1.748 4.421 4.174 156 H LYS 20 H LYS 20 -7.048 5.470 -3.684 157 HA LYS 20 HA LYS 20 -8.466 8.028 -3.769 158 HB2 LYS 20 2HB LYS 20 -7.734 8.092 -6.147 159 HB3 LYS 20 3HB LYS 20 -6.387 7.842 -5.040 160 HG2 LYS 20 2HG LYS 20 -6.301 5.479 -5.574 161 HG3 LYS 20 3HG LYS 20 -7.755 5.599 -6.561 162 HD2 LYS 20 2HD LYS 20 -5.132 7.011 -7.182 163 HD3 LYS 20 3HD LYS 20 -5.638 5.477 -7.889 164 HE2 LYS 20 2HE LYS 20 -7.599 6.581 -8.903 165 HE3 LYS 20 3HE LYS 20 -7.108 8.120 -8.189 166 HZ1 LYS 20 1HZ LYS 20 -5.552 6.550 -10.178 167 HZ2 LYS 20 2HZ LYS 20 -5.051 7.999 -9.474 168 HZ3 LYS 20 3HZ LYS 20 -6.402 7.981 -10.488 169 H ASN 21 H ASN 21 -9.077 4.655 -4.575 170 HA ASN 21 HA ASN 21 -11.856 5.157 -5.194 171 HB2 ASN 21 2HB ASN 21 -10.685 5.607 -7.400 172 HB3 ASN 21 3HB ASN 21 -10.106 3.944 -7.398 173 HD21 ASN 21 1HD2 ASN 21 -11.638 2.266 -7.757 174 HD22 ASN 21 2HD2 ASN 21 -13.186 2.584 -8.454 175 HA PRO 22 HA PRO 22 -11.021 1.233 -2.826 176 HB2 PRO 22 2HB PRO 22 -13.520 1.067 -1.624 177 HB3 PRO 22 3HB PRO 22 -12.212 2.106 -1.027 178 HG2 PRO 22 2HG PRO 22 -14.542 2.847 -2.768 179 HG3 PRO 22 3HG PRO 22 -13.889 3.693 -1.345 180 HD2 PRO 22 2HD PRO 22 -13.300 4.523 -3.834 181 HD3 PRO 22 3HD PRO 22 -12.084 4.592 -2.537 182 H THR 23 H THR 23 -13.401 1.868 -5.228 183 HA THR 23 HA THR 23 -14.284 -0.924 -5.452 184 HB THR 23 HB THR 23 -15.904 0.078 -7.157 185 HG1 THR 23 HG1 THR 23 -15.578 2.642 -6.205 186 HG21 THR 23 1HG2 THR 23 -17.366 1.168 -5.472 187 HG22 THR 23 2HG2 THR 23 -16.006 1.273 -4.353 188 HG23 THR 23 3HG2 THR 23 -16.639 -0.306 -4.821 189 H ASP 24 H ASP 24 -11.570 0.540 -6.439 190 HA ASP 24 HA ASP 24 -11.521 -0.032 -9.257 191 HB2 ASP 24 2HB ASP 24 -9.895 1.570 -8.259 192 HB3 ASP 24 3HB ASP 24 -9.140 0.252 -7.355 193 HA PRO 25 HA PRO 25 -11.649 -4.403 -8.408 194 HB2 PRO 25 2HB PRO 25 -11.725 -5.382 -10.957 195 HB3 PRO 25 3HB PRO 25 -13.086 -4.483 -10.252 196 HG2 PRO 25 2HG PRO 25 -10.949 -3.488 -12.111 197 HG3 PRO 25 3HG PRO 25 -12.705 -3.212 -12.169 198 HD2 PRO 25 2HD PRO 25 -10.963 -1.376 -11.128 199 HD3 PRO 25 3HD PRO 25 -12.635 -1.544 -10.546 200 H GLU 26 H GLU 26 -9.138 -3.075 -10.514 201 HA GLU 26 HA GLU 26 -7.568 -5.446 -10.764 202 HB2 GLU 26 2HB GLU 26 -6.882 -2.510 -11.236 203 HB3 GLU 26 3HB GLU 26 -5.835 -3.852 -11.684 204 HG2 GLU 26 2HG GLU 26 -8.632 -3.404 -12.777 205 HG3 GLU 26 3HG GLU 26 -7.144 -2.934 -13.591 206 H ALA 27 H ALA 27 -7.284 -2.508 -8.756 207 HA ALA 27 HA ALA 27 -4.816 -3.014 -7.549 208 HB1 ALA 27 1HB ALA 27 -7.152 -1.449 -6.411 209 HB2 ALA 27 2HB ALA 27 -5.935 -0.818 -7.516 210 HB3 ALA 27 3HB ALA 27 -5.465 -1.319 -5.890 211 H GLN 28 H GLN 28 -8.104 -3.699 -6.310 212 HA GLN 28 HA GLN 28 -7.166 -4.951 -3.908 213 HB2 GLN 28 2HB GLN 28 -9.547 -5.494 -3.494 214 HB3 GLN 28 3HB GLN 28 -9.299 -3.805 -3.918 215 HG2 GLN 28 2HG GLN 28 -10.020 -4.363 -6.267 216 HG3 GLN 28 3HG GLN 28 -10.451 -5.974 -5.699 217 HE21 GLN 28 1HE2 GLN 28 -11.245 -2.573 -5.559 218 HE22 GLN 28 2HE2 GLN 28 -12.819 -2.767 -4.872 219 H GLU 29 H GLU 29 -7.981 -6.194 -7.123 220 HA GLU 29 HA GLU 29 -8.328 -8.935 -6.331 221 HB2 GLU 29 2HB GLU 29 -9.295 -8.027 -8.433 222 HB3 GLU 29 3HB GLU 29 -7.677 -7.834 -9.100 223 HG2 GLU 29 2HG GLU 29 -7.340 -10.235 -9.172 224 HG3 GLU 29 3HG GLU 29 -8.811 -10.516 -8.241 225 H LEU 30 H LEU 30 -5.507 -7.062 -7.496 226 HA LEU 30 HA LEU 30 -3.749 -9.326 -7.546 227 HB2 LEU 30 2HB LEU 30 -1.939 -7.817 -7.929 228 HB3 LEU 30 3HB LEU 30 -3.314 -7.237 -8.834 229 HG LEU 30 HG LEU 30 -3.596 -5.603 -6.714 230 HD11 LEU 30 1HD1 LEU 30 -1.442 -4.840 -5.812 231 HD12 LEU 30 2HD1 LEU 30 -0.613 -6.152 -6.653 232 HD13 LEU 30 3HD1 LEU 30 -1.774 -6.514 -5.375 233 HD21 LEU 30 1HD2 LEU 30 -3.306 -4.810 -9.003 234 HD22 LEU 30 2HD2 LEU 30 -1.565 -5.086 -8.906 235 HD23 LEU 30 3HD2 LEU 30 -2.326 -3.864 -7.884 236 H LEU 31 H LEU 31 -4.680 -6.961 -5.081 237 HA LEU 31 HA LEU 31 -2.920 -7.772 -3.001 238 HB2 LEU 31 2HB LEU 31 -5.681 -6.494 -2.823 239 HB3 LEU 31 3HB LEU 31 -4.607 -6.701 -1.449 240 HG LEU 31 HG LEU 31 -4.102 -4.926 -3.863 241 HD11 LEU 31 1HD1 LEU 31 -5.770 -3.984 -2.351 242 HD12 LEU 31 2HD1 LEU 31 -4.274 -3.055 -2.288 243 HD13 LEU 31 3HD1 LEU 31 -4.671 -4.176 -0.980 244 HD21 LEU 31 1HD2 LEU 31 -2.087 -4.162 -2.722 245 HD22 LEU 31 2HD2 LEU 31 -2.003 -5.882 -3.091 246 HD23 LEU 31 3HD2 LEU 31 -2.345 -5.350 -1.443 247 H ASN 32 H ASN 32 -5.817 -9.206 -4.267 248 HA ASN 32 HA ASN 32 -6.470 -10.862 -2.008 249 HB2 ASN 32 2HB ASN 32 -8.116 -10.228 -3.796 250 HB3 ASN 32 3HB ASN 32 -7.236 -11.223 -4.948 251 HD21 ASN 32 1HD2 ASN 32 -9.356 -11.241 -2.161 252 HD22 ASN 32 2HD2 ASN 32 -9.780 -12.915 -2.252 253 H LYS 33 H LYS 33 -4.262 -11.078 -4.688 254 HA LYS 33 HA LYS 33 -3.917 -13.981 -4.506 255 HB2 LYS 33 2HB LYS 33 -2.725 -11.959 -6.456 256 HB3 LYS 33 3HB LYS 33 -2.597 -13.712 -6.583 257 HG2 LYS 33 2HG LYS 33 -5.051 -13.883 -6.862 258 HG3 LYS 33 3HG LYS 33 -5.182 -12.128 -6.716 259 HD2 LYS 33 2HD LYS 33 -5.294 -12.807 -9.078 260 HD3 LYS 33 3HD LYS 33 -3.844 -11.847 -8.779 261 HE2 LYS 33 2HE LYS 33 -2.491 -13.916 -8.700 262 HE3 LYS 33 3HE LYS 33 -3.943 -14.879 -8.980 263 HZ1 LYS 33 1HZ LYS 33 -4.201 -13.843 -11.126 264 HZ2 LYS 33 2HZ LYS 33 -2.660 -14.527 -11.003 265 HZ3 LYS 33 3HZ LYS 33 -2.854 -12.855 -10.858 266 H ILE 34 H ILE 34 -2.011 -10.982 -4.093 267 HA ILE 34 HA ILE 34 0.389 -12.524 -3.343 268 HB ILE 34 HB ILE 34 1.663 -10.468 -3.552 269 HG12 ILE 34 2HG1 ILE 34 -1.004 -9.028 -3.977 270 HG13 ILE 34 3HG1 ILE 34 0.055 -8.857 -2.588 271 HG21 ILE 34 1HG2 ILE 34 1.202 -11.690 -5.639 272 HG22 ILE 34 2HG2 ILE 34 1.319 -9.957 -5.943 273 HG23 ILE 34 3HG2 ILE 34 -0.263 -10.734 -5.891 274 HD11 ILE 34 1HD1 ILE 34 0.249 -6.955 -4.043 275 HD12 ILE 34 2HD1 ILE 34 0.678 -7.989 -5.405 276 HD13 ILE 34 3HD1 ILE 34 1.764 -7.853 -4.021 277 H LEU 35 H LEU 35 -2.130 -10.646 -1.879 278 HA LEU 35 HA LEU 35 -0.851 -10.965 0.791 279 HB2 LEU 35 2HB LEU 35 -2.887 -8.819 0.026 280 HB3 LEU 35 3HB LEU 35 -2.075 -8.985 1.570 281 HG LEU 35 HG LEU 35 -0.854 -8.063 -1.057 282 HD11 LEU 35 1HD1 LEU 35 -0.452 -5.964 0.104 283 HD12 LEU 35 2HD1 LEU 35 -1.176 -6.604 1.577 284 HD13 LEU 35 3HD1 LEU 35 -2.166 -6.366 0.136 285 HD21 LEU 35 1HD2 LEU 35 0.788 -9.456 0.077 286 HD22 LEU 35 2HD2 LEU 35 0.581 -8.533 1.564 287 HD23 LEU 35 3HD2 LEU 35 1.270 -7.762 0.131 288 H SER 36 H SER 36 -2.799 -10.770 2.480 289 HA SER 36 HA SER 36 -4.662 -12.888 2.020 290 HB2 SER 36 2HB SER 36 -4.573 -10.842 4.279 291 HB3 SER 36 3HB SER 36 -5.360 -12.421 4.316 292 HG SER 36 HG SER 36 -3.434 -12.746 5.275 293 HA PRO 37 HA PRO 37 -8.218 -10.474 0.392 294 HB2 PRO 37 2HB PRO 37 -9.859 -12.323 2.124 295 HB3 PRO 37 3HB PRO 37 -10.023 -11.956 0.391 296 HG2 PRO 37 2HG PRO 37 -8.989 -14.281 1.139 297 HG3 PRO 37 3HG PRO 37 -8.277 -13.389 -0.228 298 HD2 PRO 37 2HD PRO 37 -7.281 -13.592 2.615 299 HD3 PRO 37 3HD PRO 37 -6.367 -13.672 1.089 300 H ASP 38 H ASP 38 -7.620 -11.025 3.766 301 HA ASP 38 HA ASP 38 -9.404 -9.199 4.971 302 HB2 ASP 38 2HB ASP 38 -6.626 -10.018 5.942 303 HB3 ASP 38 3HB ASP 38 -7.915 -9.341 6.931 304 H VAL 39 H VAL 39 -6.157 -8.786 3.563 305 HA VAL 39 HA VAL 39 -5.554 -6.279 4.731 306 HB VAL 39 HB VAL 39 -4.391 -7.415 2.147 307 HG11 VAL 39 1HG1 VAL 39 -2.431 -5.924 2.716 308 HG12 VAL 39 2HG1 VAL 39 -3.413 -5.190 3.980 309 HG13 VAL 39 3HG1 VAL 39 -3.902 -5.050 2.290 310 HG21 VAL 39 1HG2 VAL 39 -2.537 -8.278 3.533 311 HG22 VAL 39 2HG2 VAL 39 -4.076 -8.986 4.028 312 HG23 VAL 39 3HG2 VAL 39 -3.348 -7.703 4.995 313 H LEU 40 H LEU 40 -6.735 -7.081 1.439 314 HA LEU 40 HA LEU 40 -6.972 -4.420 0.526 315 HB2 LEU 40 2HB LEU 40 -8.314 -5.342 -1.308 316 HB3 LEU 40 3HB LEU 40 -6.909 -6.335 -0.985 317 HG LEU 40 HG LEU 40 -8.711 -7.726 0.496 318 HD11 LEU 40 1HD1 LEU 40 -10.625 -6.306 0.028 319 HD12 LEU 40 2HD1 LEU 40 -10.869 -7.921 -0.627 320 HD13 LEU 40 3HD1 LEU 40 -10.448 -6.586 -1.706 321 HD21 LEU 40 1HD2 LEU 40 -7.299 -8.668 -1.261 322 HD22 LEU 40 2HD2 LEU 40 -8.433 -8.098 -2.486 323 HD23 LEU 40 3HD2 LEU 40 -8.939 -9.312 -1.308 324 H ASP 41 H ASP 41 -9.008 -6.363 2.538 325 HA ASP 41 HA ASP 41 -11.473 -4.947 2.155 326 HB2 ASP 41 2HB ASP 41 -11.435 -7.348 2.727 327 HB3 ASP 41 3HB ASP 41 -10.682 -6.989 4.275 328 H GLN 42 H GLN 42 -8.806 -4.684 4.472 329 HA GLN 42 HA GLN 42 -10.250 -2.737 6.103 330 HB2 GLN 42 2HB GLN 42 -8.220 -2.608 7.474 331 HB3 GLN 42 3HB GLN 42 -8.668 -4.284 7.202 332 HG2 GLN 42 2HG GLN 42 -6.906 -4.392 5.410 333 HG3 GLN 42 3HG GLN 42 -6.392 -2.777 5.882 334 HE21 GLN 42 1HE2 GLN 42 -4.842 -5.222 5.920 335 HE22 GLN 42 2HE2 GLN 42 -4.342 -5.467 7.550 336 H VAL 43 H VAL 43 -7.880 -2.765 3.505 337 HA VAL 43 HA VAL 43 -7.090 -0.040 3.569 338 HB VAL 43 HB VAL 43 -7.040 -2.097 1.314 339 HG11 VAL 43 1HG1 VAL 43 -5.760 0.662 1.285 340 HG12 VAL 43 2HG1 VAL 43 -7.113 0.136 0.282 341 HG13 VAL 43 3HG1 VAL 43 -5.526 -0.600 0.070 342 HG21 VAL 43 1HG2 VAL 43 -5.549 -2.577 3.235 343 HG22 VAL 43 2HG2 VAL 43 -4.788 -0.997 3.043 344 HG23 VAL 43 3HG2 VAL 43 -4.620 -2.217 1.777 345 H ARG 44 H ARG 44 -9.724 -1.727 1.839 346 HA ARG 44 HA ARG 44 -10.590 0.433 0.223 347 HB2 ARG 44 2HB ARG 44 -12.672 -0.839 -0.141 348 HB3 ARG 44 3HB ARG 44 -11.265 -1.886 -0.273 349 HG2 ARG 44 2HG ARG 44 -11.689 -2.890 1.858 350 HG3 ARG 44 3HG ARG 44 -12.919 -1.694 2.260 351 HD2 ARG 44 2HD ARG 44 -13.891 -3.880 1.663 352 HD3 ARG 44 3HD ARG 44 -14.407 -2.608 0.556 353 HE ARG 44 HE ARG 44 -12.359 -3.648 -0.806 354 HH11 ARG 44 1HH1 ARG 44 -14.979 -5.339 0.869 355 HH12 ARG 44 2HH1 ARG 44 -14.966 -6.679 -0.239 356 HH21 ARG 44 1HH2 ARG 44 -12.441 -5.376 -2.296 357 HH22 ARG 44 2HH2 ARG 44 -13.531 -6.698 -2.023 358 H GLU 45 H GLU 45 -11.131 -0.249 3.597 359 HA GLU 45 HA GLU 45 -13.382 1.542 3.958 360 HB2 GLU 45 2HB GLU 45 -11.524 0.282 6.014 361 HB3 GLU 45 3HB GLU 45 -13.038 1.110 6.375 362 HG2 GLU 45 2HG GLU 45 -14.313 -0.596 5.194 363 HG3 GLU 45 3HG GLU 45 -12.832 -1.400 4.678 364 H HIS 46 H HIS 46 -9.910 1.602 4.757 365 HA HIS 46 HA HIS 46 -9.762 4.239 5.785 366 HB2 HIS 46 2HB HIS 46 -7.631 2.412 4.608 367 HB3 HIS 46 3HB HIS 46 -7.254 4.000 5.270 368 HD1 HIS 46 HD1 HIS 46 -8.176 4.308 7.879 369 HD2 HIS 46 HD2 HIS 46 -7.493 0.441 6.513 370 HE1 HIS 46 HE1 HIS 46 -7.996 2.885 9.936 371 HE2 HIS 46 HE2 HIS 46 -7.766 0.542 9.069 372 H ALA 47 H ALA 47 -9.952 3.055 2.590 373 HA ALA 47 HA ALA 47 -8.978 5.051 0.983 374 HB1 ALA 47 1HB ALA 47 -9.883 2.920 0.182 375 HB2 ALA 47 2HB ALA 47 -10.620 4.281 -0.668 376 HB3 ALA 47 3HB ALA 47 -11.513 3.443 0.607 377 H ARG 48 H ARG 48 -12.306 4.842 2.317 378 HA ARG 48 HA ARG 48 -13.196 7.224 1.055 379 HB2 ARG 48 2HB ARG 48 -14.454 5.654 3.341 380 HB3 ARG 48 3HB ARG 48 -15.212 7.051 2.584 381 HG2 ARG 48 2HG ARG 48 -16.253 5.349 1.430 382 HG3 ARG 48 3HG ARG 48 -14.893 5.669 0.353 383 HD2 ARG 48 2HD ARG 48 -15.146 3.288 0.596 384 HD3 ARG 48 3HD ARG 48 -13.672 3.760 1.455 385 HE ARG 48 HE ARG 48 -15.408 3.829 3.455 386 HH11 ARG 48 1HH1 ARG 48 -15.106 1.321 0.989 387 HH12 ARG 48 2HH1 ARG 48 -15.706 0.074 2.033 388 HH21 ARG 48 1HH2 ARG 48 -16.167 2.193 4.792 389 HH22 ARG 48 2HH2 ARG 48 -16.308 0.567 4.190 390 H GLU 49 H GLU 49 -11.402 6.761 3.964 391 HA GLU 49 HA GLU 49 -12.210 9.091 5.389 392 HB2 GLU 49 2HB GLU 49 -9.418 7.864 5.534 393 HB3 GLU 49 3HB GLU 49 -10.262 8.771 6.783 394 HG2 GLU 49 2HG GLU 49 -10.810 5.955 5.841 395 HG3 GLU 49 3HG GLU 49 -10.251 6.470 7.426 396 H LEU 50 H LEU 50 -9.457 8.457 3.195 397 HA LEU 50 HA LEU 50 -8.535 11.202 3.165 398 HB2 LEU 50 2HB LEU 50 -7.700 8.874 1.384 399 HB3 LEU 50 3HB LEU 50 -6.828 10.387 1.585 400 HG LEU 50 HG LEU 50 -7.183 8.197 3.671 401 HD11 LEU 50 1HD1 LEU 50 -5.508 7.671 1.979 402 HD12 LEU 50 2HD1 LEU 50 -4.741 7.976 3.535 403 HD13 LEU 50 3HD1 LEU 50 -4.690 9.210 2.271 404 HD21 LEU 50 1HD2 LEU 50 -5.790 9.555 5.180 405 HD22 LEU 50 2HD2 LEU 50 -7.312 10.360 4.802 406 HD23 LEU 50 3HD2 LEU 50 -5.818 10.886 4.020 407 H GLN 51 H GLN 51 -10.470 9.119 1.113 408 HA GLN 51 HA GLN 51 -10.569 10.699 -1.248 409 HB2 GLN 51 2HB GLN 51 -11.112 8.308 -1.265 410 HB3 GLN 51 3HB GLN 51 -12.461 8.567 -0.167 411 HG2 GLN 51 2HG GLN 51 -13.629 9.859 -1.916 412 HG3 GLN 51 3HG GLN 51 -12.269 9.595 -3.009 413 HE21 GLN 51 1HE2 GLN 51 -11.937 7.521 -3.853 414 HE22 GLN 51 2HE2 GLN 51 -13.191 6.338 -3.865 415 H LYS 52 H LYS 52 -12.604 10.542 1.659 416 HA LYS 52 HA LYS 52 -14.688 12.299 0.857 417 HB2 LYS 52 2HB LYS 52 -14.915 10.799 2.789 418 HB3 LYS 52 3HB LYS 52 -13.620 11.638 3.636 419 HG2 LYS 52 2HG LYS 52 -14.996 13.647 3.820 420 HG3 LYS 52 3HG LYS 52 -16.273 12.892 2.863 421 HD2 LYS 52 2HD LYS 52 -16.537 11.156 4.642 422 HD3 LYS 52 3HD LYS 52 -15.314 11.992 5.608 423 HE2 LYS 52 2HE LYS 52 -17.594 12.555 6.347 424 HE3 LYS 52 3HE LYS 52 -16.759 13.980 5.727 425 HZ1 LYS 52 1HZ LYS 52 -17.946 13.728 3.645 426 HZ2 LYS 52 2HZ LYS 52 -19.041 13.844 4.924 427 HZ3 LYS 52 3HZ LYS 52 -18.729 12.343 4.212 428 H GLN 53 H GLN 53 -11.634 12.818 2.579 429 HA GLN 53 HA GLN 53 -11.812 15.633 2.916 430 HB2 GLN 53 2HB GLN 53 -9.370 13.818 2.732 431 HB3 GLN 53 3HB GLN 53 -9.328 15.496 3.266 432 HG2 GLN 53 2HG GLN 53 -10.707 14.951 5.214 433 HG3 GLN 53 3HG GLN 53 -10.859 13.281 4.664 434 HE21 GLN 53 1HE2 GLN 53 -9.051 11.894 4.842 435 HE22 GLN 53 2HE2 GLN 53 -7.689 12.281 5.834 436 H GLY 54 H GLY 54 -11.034 13.623 0.196 437 HA2 GLY 54 2HA GLY 54 -10.806 14.133 -2.032 438 HA3 GLY 54 3HA GLY 54 -10.983 15.839 -1.647 439 H ILE 55 H ILE 55 -8.651 13.648 -0.225 440 HA ILE 55 HA ILE 55 -6.430 15.355 -0.799 441 HB ILE 55 HB ILE 55 -6.521 12.560 0.433 442 HG12 ILE 55 2HG1 ILE 55 -6.222 15.316 1.717 443 HG13 ILE 55 3HG1 ILE 55 -7.645 14.287 1.800 444 HG21 ILE 55 1HG2 ILE 55 -4.165 14.476 0.273 445 HG22 ILE 55 2HG2 ILE 55 -4.310 12.936 -0.576 446 HG23 ILE 55 3HG2 ILE 55 -4.191 12.962 1.184 447 HD11 ILE 55 1HD1 ILE 55 -6.430 14.212 3.869 448 HD12 ILE 55 2HD1 ILE 55 -4.955 13.714 3.041 449 HD13 ILE 55 3HD1 ILE 55 -6.354 12.635 3.085 450 H HIS 56 H HIS 56 -5.684 15.477 -2.862 451 HA HIS 56 HA HIS 56 -5.478 13.077 -4.548 452 HB2 HIS 56 2HB HIS 56 -4.682 15.975 -5.111 453 HB3 HIS 56 3HB HIS 56 -4.612 14.666 -6.284 454 HD1 HIS 56 HD1 HIS 56 -6.210 16.823 -7.322 455 HD2 HIS 56 HD2 HIS 56 -7.912 14.120 -4.661 456 HE1 HIS 56 HE1 HIS 56 -8.690 17.016 -7.654 457 HE2 HIS 56 HE2 HIS 56 -9.674 15.265 -6.150 458 H PHE 57 H PHE 57 -3.820 11.778 -3.998 459 HA PHE 57 HA PHE 57 -1.220 12.935 -3.185 460 HB2 PHE 57 2HB PHE 57 -0.847 10.639 -2.076 461 HB3 PHE 57 3HB PHE 57 -2.010 11.710 -1.310 462 HD1 PHE 57 HD1 PHE 57 -1.639 8.613 -3.307 463 HD2 PHE 57 HD2 PHE 57 -4.368 11.123 -1.173 464 HE1 PHE 57 HE1 PHE 57 -3.359 6.860 -3.431 465 HE2 PHE 57 HE2 PHE 57 -6.085 9.356 -1.307 466 HZ PHE 57 HZ PHE 57 -5.574 7.235 -2.444 467 H GLU 58 H GLU 58 0.406 12.637 -4.531 468 HA GLU 58 HA GLU 58 0.113 10.733 -6.781 469 HB2 GLU 58 2HB GLU 58 0.122 13.177 -7.376 470 HB3 GLU 58 3HB GLU 58 1.732 13.320 -6.679 471 HG2 GLU 58 2HG GLU 58 1.838 13.167 -9.125 472 HG3 GLU 58 3HG GLU 58 2.618 11.773 -8.376 473 H VAL 59 H VAL 59 1.608 9.172 -6.984 474 HA VAL 59 HA VAL 59 3.579 8.694 -4.979 475 HB VAL 59 HB VAL 59 3.281 7.341 -7.711 476 HG11 VAL 59 1HG1 VAL 59 4.768 6.347 -5.243 477 HG12 VAL 59 2HG1 VAL 59 5.513 6.941 -6.727 478 HG13 VAL 59 3HG1 VAL 59 4.557 5.459 -6.756 479 HG21 VAL 59 1HG2 VAL 59 2.129 6.492 -5.021 480 HG22 VAL 59 2HG2 VAL 59 2.014 5.580 -6.529 481 HG23 VAL 59 3HG2 VAL 59 1.215 7.144 -6.385 482 H LYS 60 H LYS 60 5.284 9.961 -4.818 483 HA LYS 60 HA LYS 60 6.543 11.363 -7.004 484 HB2 LYS 60 2HB LYS 60 7.361 11.050 -4.081 485 HB3 LYS 60 3HB LYS 60 8.091 12.179 -5.215 486 HG2 LYS 60 2HG LYS 60 5.182 12.230 -4.373 487 HG3 LYS 60 3HG LYS 60 6.446 13.211 -3.640 488 HD2 LYS 60 2HD LYS 60 5.612 13.339 -6.563 489 HD3 LYS 60 3HD LYS 60 5.103 14.465 -5.304 490 HE2 LYS 60 2HE LYS 60 7.530 15.051 -4.940 491 HE3 LYS 60 3HE LYS 60 7.928 14.059 -6.345 492 HZ1 LYS 60 1HZ LYS 60 6.241 16.504 -6.307 493 HZ2 LYS 60 2HZ LYS 60 6.414 15.505 -7.652 494 HZ3 LYS 60 3HZ LYS 60 7.760 16.320 -7.035 495 H ARG 61 H ARG 61 7.352 8.653 -4.848 496 HA ARG 61 HA ARG 61 9.039 7.319 -6.718 497 HB2 ARG 61 2HB ARG 61 10.737 8.924 -6.208 498 HB3 ARG 61 3HB ARG 61 10.347 8.942 -4.498 499 HG2 ARG 61 2HG ARG 61 12.521 7.876 -4.950 500 HG3 ARG 61 3HG ARG 61 11.387 6.753 -4.201 501 HD2 ARG 61 2HD ARG 61 12.681 5.657 -5.966 502 HD3 ARG 61 3HD ARG 61 10.972 5.705 -6.395 503 HE ARG 61 HE ARG 61 12.174 7.936 -7.557 504 HH11 ARG 61 1HH1 ARG 61 12.446 4.425 -7.850 505 HH12 ARG 61 2HH1 ARG 61 12.944 4.490 -9.511 506 HH21 ARG 61 1HH2 ARG 61 12.817 7.987 -9.747 507 HH22 ARG 61 2HH2 ARG 61 13.155 6.505 -10.586 508 H VAL 62 H VAL 62 8.768 5.211 -6.268 509 HA VAL 62 HA VAL 62 8.186 4.335 -3.506 510 HB VAL 62 HB VAL 62 6.346 3.786 -4.954 511 HG11 VAL 62 1HG1 VAL 62 6.495 2.367 -6.962 512 HG12 VAL 62 2HG1 VAL 62 8.255 2.360 -6.828 513 HG13 VAL 62 3HG1 VAL 62 7.403 3.871 -7.151 514 HG21 VAL 62 1HG2 VAL 62 6.181 1.333 -4.685 515 HG22 VAL 62 2HG2 VAL 62 6.888 2.092 -3.256 516 HG23 VAL 62 3HG2 VAL 62 7.925 1.245 -4.404 517 H GLU 63 H GLU 63 9.980 3.696 -2.541 518 HA GLU 63 HA GLU 63 12.003 2.044 -3.926 519 HB2 GLU 63 2HB GLU 63 12.113 3.702 -1.374 520 HB3 GLU 63 3HB GLU 63 13.379 2.558 -1.795 521 HG2 GLU 63 2HG GLU 63 12.564 4.972 -3.440 522 HG3 GLU 63 3HG GLU 63 13.981 4.865 -2.395 523 H VAL 64 H VAL 64 12.532 0.045 -3.106 524 HA VAL 64 HA VAL 64 11.037 -1.071 -0.841 525 HB VAL 64 HB VAL 64 9.559 -1.606 -2.666 526 HG11 VAL 64 1HG1 VAL 64 11.900 -2.782 -4.201 527 HG12 VAL 64 2HG1 VAL 64 11.061 -1.276 -4.571 528 HG13 VAL 64 3HG1 VAL 64 10.206 -2.813 -4.705 529 HG21 VAL 64 1HG2 VAL 64 9.515 -4.069 -2.612 530 HG22 VAL 64 2HG2 VAL 64 9.869 -3.402 -1.018 531 HG23 VAL 64 3HG2 VAL 64 11.169 -4.096 -1.991 532 H THR 65 H THR 65 12.341 -2.258 0.409 533 HA THR 65 HA THR 65 14.747 -3.587 -0.648 534 HB THR 65 HB THR 65 15.640 -1.443 0.072 535 HG1 THR 65 HG1 THR 65 17.060 -2.169 1.741 536 HG21 THR 65 1HG2 THR 65 14.262 -1.871 2.753 537 HG22 THR 65 2HG2 THR 65 13.834 -0.650 1.552 538 HG23 THR 65 3HG2 THR 65 15.391 -0.566 2.381 539 H THR 66 H THR 66 15.255 -5.476 0.452 540 HA THR 66 HA THR 66 13.183 -6.543 2.237 541 HB THR 66 HB THR 66 14.429 -8.742 1.863 542 HG1 THR 66 HG1 THR 66 16.331 -7.155 0.969 543 HG21 THR 66 1HG2 THR 66 13.534 -7.281 -0.650 544 HG22 THR 66 2HG2 THR 66 12.469 -8.121 0.483 545 HG23 THR 66 3HG2 THR 66 13.657 -9.029 -0.456 546 H ASP 67 H ASP 67 13.735 -7.775 4.142 547 HA ASP 67 HA ASP 67 16.277 -7.537 5.478 548 HB2 ASP 67 2HB ASP 67 15.359 -5.247 5.889 549 HB3 ASP 67 3HB ASP 67 13.901 -5.946 6.577 550 H GLY 68 H GLY 68 15.982 -9.802 5.419 551 HA2 GLY 68 2HA GLY 68 15.575 -11.840 6.365 552 HA3 GLY 68 3HA GLY 68 14.944 -10.989 7.762 553 H ASN 69 H ASN 69 12.858 -11.411 8.229 554 HA ASN 69 HA ASN 69 11.097 -12.674 6.229 555 HB2 ASN 69 2HB ASN 69 9.630 -13.252 8.093 556 HB3 ASN 69 3HB ASN 69 11.278 -13.714 8.500 557 HD21 ASN 69 1HD2 ASN 69 12.390 -12.498 10.100 558 HD22 ASN 69 2HD2 ASN 69 11.545 -11.496 11.230 559 H THR 70 H THR 70 11.815 -9.626 6.636 560 HA THR 70 HA THR 70 9.063 -8.638 6.220 561 HB THR 70 HB THR 70 11.147 -7.225 7.961 562 HG1 THR 70 HG1 THR 70 9.053 -9.022 8.548 563 HG21 THR 70 1HG2 THR 70 8.200 -6.627 7.496 564 HG22 THR 70 2HG2 THR 70 9.552 -5.658 6.893 565 HG23 THR 70 3HG2 THR 70 9.255 -5.785 8.630 566 H VAL 71 H VAL 71 8.976 -6.685 4.917 567 HA VAL 71 HA VAL 71 11.426 -5.897 3.490 568 HB VAL 71 HB VAL 71 10.431 -7.546 2.029 569 HG11 VAL 71 1HG1 VAL 71 7.831 -6.054 2.115 570 HG12 VAL 71 2HG1 VAL 71 8.169 -7.598 2.900 571 HG13 VAL 71 3HG1 VAL 71 8.189 -7.482 1.138 572 HG21 VAL 71 1HG2 VAL 71 9.836 -4.792 0.920 573 HG22 VAL 71 2HG2 VAL 71 10.080 -6.258 -0.035 574 HG23 VAL 71 3HG2 VAL 71 11.411 -5.591 0.913 575 H ASN 72 H ASN 72 11.615 -3.792 3.561 576 HA ASN 72 HA ASN 72 9.437 -2.079 4.524 577 HB2 ASN 72 2HB ASN 72 12.397 -1.399 4.161 578 HB3 ASN 72 3HB ASN 72 11.205 -0.476 5.076 579 HD21 ASN 72 1HD2 ASN 72 13.765 -1.636 5.949 580 HD22 ASN 72 2HD2 ASN 72 13.383 -2.666 7.279 581 H VAL 73 H VAL 73 8.199 -1.307 2.867 582 HA VAL 73 HA VAL 73 9.485 -0.240 0.437 583 HB VAL 73 HB VAL 73 6.490 -0.507 1.024 584 HG11 VAL 73 1HG1 VAL 73 7.956 0.154 -1.565 585 HG12 VAL 73 2HG1 VAL 73 6.955 1.261 -0.622 586 HG13 VAL 73 3HG1 VAL 73 6.218 -0.126 -1.424 587 HG21 VAL 73 1HG2 VAL 73 8.289 -2.298 -0.647 588 HG22 VAL 73 2HG2 VAL 73 6.534 -2.452 -0.506 589 HG23 VAL 73 3HG2 VAL 73 7.563 -2.718 0.905 590 H THR 74 H THR 74 10.293 1.736 0.825 591 HA THR 74 HA THR 74 8.772 3.742 2.363 592 HB THR 74 HB THR 74 11.618 3.838 1.243 593 HG1 THR 74 HG1 THR 74 10.733 2.542 3.324 594 HG21 THR 74 1HG2 THR 74 11.908 5.844 2.687 595 HG22 THR 74 2HG2 THR 74 10.196 5.784 3.109 596 HG23 THR 74 3HG2 THR 74 10.682 6.117 1.445 597 H VAL 75 H VAL 75 7.233 4.529 1.044 598 HA VAL 75 HA VAL 75 7.920 5.422 -1.692 599 HB VAL 75 HB VAL 75 6.361 3.630 -1.925 600 HG11 VAL 75 1HG1 VAL 75 4.555 4.884 0.147 601 HG12 VAL 75 2HG1 VAL 75 5.556 3.448 0.372 602 HG13 VAL 75 3HG1 VAL 75 4.219 3.418 -0.780 603 HG21 VAL 75 1HG2 VAL 75 4.388 4.680 -2.972 604 HG22 VAL 75 2HG2 VAL 75 5.878 5.534 -3.385 605 HG23 VAL 75 3HG2 VAL 75 4.784 6.208 -2.177 606 H GLU 76 H GLU 76 8.168 7.514 -1.684 607 HA GLU 76 HA GLU 76 6.861 9.358 0.105 608 HB2 GLU 76 2HB GLU 76 9.191 9.690 -0.774 609 HB3 GLU 76 3HB GLU 76 8.530 9.875 -2.395 610 HG2 GLU 76 2HG GLU 76 7.253 11.874 -1.613 611 HG3 GLU 76 3HG GLU 76 8.016 11.706 -0.030 612 H LEU 77 H LEU 77 4.882 10.162 -0.242 613 HA LEU 77 HA LEU 77 3.847 10.482 -2.998 614 HB2 LEU 77 2HB LEU 77 2.210 10.142 -0.439 615 HB3 LEU 77 3HB LEU 77 1.557 10.479 -2.032 616 HG LEU 77 HG LEU 77 2.719 8.206 -2.730 617 HD11 LEU 77 1HD1 LEU 77 2.494 7.763 0.250 618 HD12 LEU 77 2HD1 LEU 77 3.986 7.838 -0.687 619 HD13 LEU 77 3HD1 LEU 77 2.841 6.528 -0.963 620 HD21 LEU 77 1HD2 LEU 77 0.694 6.956 -2.164 621 HD22 LEU 77 2HD2 LEU 77 0.304 8.574 -2.746 622 HD23 LEU 77 3HD2 LEU 77 0.223 8.215 -1.019 623 H GLU 78 H GLU 78 2.473 12.395 -3.269 624 HA GLU 78 HA GLU 78 3.056 14.615 -1.392 625 HB2 GLU 78 2HB GLU 78 4.224 14.741 -3.663 626 HB3 GLU 78 3HB GLU 78 2.633 14.873 -4.399 627 HG2 GLU 78 2HG GLU 78 2.240 16.969 -3.140 628 HG3 GLU 78 3HG GLU 78 3.849 16.834 -2.431 629 H GLU 79 H GLU 79 1.222 14.674 -0.259 630 HA GLU 79 HA GLU 79 -1.394 14.107 -1.398 631 HB2 GLU 79 2HB GLU 79 -0.573 14.829 1.457 632 HB3 GLU 79 3HB GLU 79 -2.171 14.296 0.952 633 HG2 GLU 79 2HG GLU 79 -1.022 12.132 0.143 634 HG3 GLU 79 3HG GLU 79 0.383 12.684 1.054 635 H THR 80 H THR 80 -3.020 15.613 -1.704 636 HA THR 80 HA THR 80 -2.407 18.467 -1.133 637 HB THR 80 HB THR 80 -4.136 17.436 -3.435 638 HG1 THR 80 HG1 THR 80 -1.745 16.910 -3.446 639 HG21 THR 80 1HG2 THR 80 -3.796 19.712 -4.353 640 HG22 THR 80 2HG2 THR 80 -2.855 20.157 -2.929 641 HG23 THR 80 3HG2 THR 80 -4.574 19.788 -2.770 642 H THR 81 H THR 81 -3.554 18.887 0.638 643 HA THR 81 HA THR 81 -6.331 17.896 0.929 644 HB THR 81 HB THR 81 -4.933 16.733 2.509 645 HG1 THR 81 HG1 THR 81 -6.207 18.790 4.001 646 HG21 THR 81 1HG2 THR 81 -3.558 17.826 4.237 647 HG22 THR 81 2HG2 THR 81 -3.915 19.404 3.533 648 HG23 THR 81 3HG2 THR 81 -2.976 18.226 2.616 649 H GLY 82 H GLY 82 -7.801 19.449 0.899 650 HA2 GLY 82 2HA GLY 82 -8.926 21.417 1.223 651 HA3 GLY 82 3HA GLY 82 -7.667 21.899 2.352 652 H GLY 83 H GLY 83 -5.981 23.172 1.639 653 HA2 GLY 83 2HA GLY 83 -5.806 23.977 -1.203 654 HA3 GLY 83 3HA GLY 83 -6.009 25.212 0.038 655 H THR 84 H THR 84 -4.217 22.460 0.967 656 HA THR 84 HA THR 84 -1.592 23.761 0.441 657 HB THR 84 HB THR 84 -0.795 22.625 2.581 658 HG1 THR 84 HG1 THR 84 -3.249 21.556 2.493 659 HG21 THR 84 1HG2 THR 84 -1.329 25.039 2.613 660 HG22 THR 84 2HG2 THR 84 -1.756 24.286 4.149 661 HG23 THR 84 3HG2 THR 84 -3.018 24.670 2.977 662 H THR 85 H THR 85 0.046 22.359 -0.209 663 HA THR 85 HA THR 85 -0.702 19.543 -0.759 664 HB THR 85 HB THR 85 1.302 21.250 -2.333 665 HG1 THR 85 HG1 THR 85 -0.931 21.980 -2.525 666 HG21 THR 85 1HG2 THR 85 1.686 18.804 -2.533 667 HG22 THR 85 2HG2 THR 85 1.089 19.474 -4.051 668 HG23 THR 85 3HG2 THR 85 -0.002 18.570 -2.999 669 H THR 86 H THR 86 0.199 18.439 0.862 670 HA THR 86 HA THR 86 2.847 19.111 1.965 671 HB THR 86 HB THR 86 0.716 17.195 3.060 672 HG1 THR 86 HG1 THR 86 0.957 19.963 3.191 673 HG21 THR 86 1HG2 THR 86 1.890 17.454 5.203 674 HG22 THR 86 2HG2 THR 86 3.078 18.518 4.451 675 HG23 THR 86 3HG2 THR 86 2.995 16.817 3.983 676 H ASN 87 H ASN 87 4.516 17.925 1.158 677 HA ASN 87 HA ASN 87 4.136 15.422 -0.232 678 HB2 ASN 87 2HB ASN 87 5.879 17.039 -0.933 679 HB3 ASN 87 3HB ASN 87 6.675 16.879 0.627 680 HD21 ASN 87 1HD2 ASN 87 5.964 15.260 -2.400 681 HD22 ASN 87 2HD2 ASN 87 7.189 14.054 -2.255 682 H THR 88 H THR 88 3.538 13.748 1.029 683 HA THR 88 HA THR 88 4.689 13.365 3.731 684 HB THR 88 HB THR 88 1.965 12.462 2.680 685 HG1 THR 88 HG1 THR 88 1.126 14.193 3.683 686 HG21 THR 88 1HG2 THR 88 2.800 10.978 4.460 687 HG22 THR 88 2HG2 THR 88 1.460 11.962 5.056 688 HG23 THR 88 3HG2 THR 88 3.120 12.375 5.493 689 H THR 89 H THR 89 5.934 11.603 3.933 690 HA THR 89 HA THR 89 6.016 9.538 1.882 691 HB THR 89 HB THR 89 7.668 9.797 4.442 692 HG1 THR 89 HG1 THR 89 8.015 11.600 3.123 693 HG21 THR 89 1HG2 THR 89 8.234 8.208 1.903 694 HG22 THR 89 2HG2 THR 89 7.738 7.513 3.449 695 HG23 THR 89 3HG2 THR 89 9.298 8.328 3.306 696 H TYR 90 H TYR 90 5.317 7.481 2.169 697 HA TYR 90 HA TYR 90 4.158 6.610 4.743 698 HB2 TYR 90 2HB TYR 90 3.248 6.088 1.881 699 HB3 TYR 90 3HB TYR 90 2.783 5.014 3.193 700 HD1 TYR 90 HD1 TYR 90 2.503 8.528 1.966 701 HD2 TYR 90 HD2 TYR 90 1.002 5.582 4.676 702 HE1 TYR 90 HE1 TYR 90 0.604 9.999 2.517 703 HE2 TYR 90 HE2 TYR 90 -0.890 7.046 5.224 704 HH TYR 90 HH TYR 90 -1.631 9.891 3.439 705 H GLU 91 H GLU 91 5.175 4.961 5.618 706 HA GLU 91 HA GLU 91 7.014 3.241 4.078 707 HB2 GLU 91 2HB GLU 91 6.800 3.620 7.104 708 HB3 GLU 91 3HB GLU 91 8.065 2.751 6.247 709 HG2 GLU 91 2HG GLU 91 8.869 4.841 5.244 710 HG3 GLU 91 3HG GLU 91 7.572 5.733 6.046 711 H LEU 92 H LEU 92 5.762 1.597 3.314 712 HA LEU 92 HA LEU 92 3.842 0.234 5.084 713 HB2 LEU 92 2HB LEU 92 4.269 0.038 2.073 714 HB3 LEU 92 3HB LEU 92 3.171 -0.993 2.975 715 HG LEU 92 HG LEU 92 1.903 1.108 3.689 716 HD11 LEU 92 1HD1 LEU 92 3.592 2.447 1.567 717 HD12 LEU 92 2HD1 LEU 92 3.618 2.786 3.299 718 HD13 LEU 92 3HD1 LEU 92 2.175 3.147 2.356 719 HD21 LEU 92 1HD2 LEU 92 1.069 -0.359 1.916 720 HD22 LEU 92 2HD2 LEU 92 1.993 0.546 0.717 721 HD23 LEU 92 3HD2 LEU 92 0.673 1.329 1.590 722 H ARG 93 H ARG 93 4.795 -1.200 6.300 723 HA ARG 93 HA ARG 93 7.184 -2.658 5.403 724 HB2 ARG 93 2HB ARG 93 7.138 -1.205 7.531 725 HB3 ARG 93 3HB ARG 93 6.084 -2.425 8.243 726 HG2 ARG 93 2HG ARG 93 7.837 -4.114 7.981 727 HG3 ARG 93 3HG ARG 93 8.877 -2.931 7.185 728 HD2 ARG 93 2HD ARG 93 7.968 -2.929 10.074 729 HD3 ARG 93 3HD ARG 93 9.607 -3.154 9.468 730 HE ARG 93 HE ARG 93 8.086 -0.637 9.545 731 HH11 ARG 93 1HH1 ARG 93 11.168 -2.239 8.962 732 HH12 ARG 93 2HH1 ARG 93 12.072 -0.757 8.969 733 HH21 ARG 93 1HH2 ARG 93 9.271 1.281 9.604 734 HH22 ARG 93 2HH2 ARG 93 10.987 1.251 9.335 735 H PHE 94 H PHE 94 6.702 -4.561 4.528 736 HA PHE 94 HA PHE 94 4.254 -6.025 5.247 737 HB2 PHE 94 2HB PHE 94 6.135 -6.277 2.857 738 HB3 PHE 94 3HB PHE 94 4.668 -7.214 3.088 739 HD1 PHE 94 HD1 PHE 94 6.047 -4.126 1.843 740 HD2 PHE 94 HD2 PHE 94 2.418 -6.005 3.125 741 HE1 PHE 94 HE1 PHE 94 4.716 -2.381 0.704 742 HE2 PHE 94 HE2 PHE 94 1.112 -4.262 1.978 743 HZ PHE 94 HZ PHE 94 2.259 -2.450 0.771 744 H GLU 95 H GLU 95 4.587 -7.514 6.805 745 HA GLU 95 HA GLU 95 7.067 -8.971 7.115 746 HB2 GLU 95 2HB GLU 95 4.373 -9.318 8.483 747 HB3 GLU 95 3HB GLU 95 5.819 -10.207 8.902 748 HG2 GLU 95 2HG GLU 95 5.501 -8.439 10.512 749 HG3 GLU 95 3HG GLU 95 6.926 -8.090 9.544 750 H VAL 96 H VAL 96 7.547 -10.534 5.707 751 HA VAL 96 HA VAL 96 5.554 -11.953 4.147 752 HB VAL 96 HB VAL 96 7.297 -12.725 2.773 753 HG11 VAL 96 1HG1 VAL 96 7.144 -10.308 2.588 754 HG12 VAL 96 2HG1 VAL 96 8.814 -10.805 2.351 755 HG13 VAL 96 3HG1 VAL 96 8.319 -10.088 3.885 756 HG21 VAL 96 1HG2 VAL 96 9.707 -12.857 3.347 757 HG22 VAL 96 2HG2 VAL 96 8.717 -13.869 4.396 758 HG23 VAL 96 3HG2 VAL 96 9.334 -12.332 4.993 759 H ASP 97 H ASP 97 5.087 -14.144 4.298 760 HA ASP 97 HA ASP 97 6.257 -15.778 6.451 761 HB2 ASP 97 2HB ASP 97 4.157 -14.539 7.266 762 HB3 ASP 97 3HB ASP 97 3.242 -15.450 6.076 763 H GLY 98 H GLY 98 6.843 -17.628 5.518 764 HA2 GLY 98 2HA GLY 98 6.852 -19.506 4.204 765 HA3 GLY 98 3HA GLY 98 5.238 -19.102 3.638 766 H ASP 99 H ASP 99 4.982 -17.946 1.777 767 HA ASP 99 HA ASP 99 7.385 -17.469 0.092 768 HB2 ASP 99 2HB ASP 99 4.696 -18.620 -0.789 769 HB3 ASP 99 3HB ASP 99 6.045 -18.265 -1.860 770 H THR 100 H THR 100 4.506 -16.175 1.398 771 HA THR 100 HA THR 100 4.660 -13.787 -0.316 772 HB THR 100 HB THR 100 2.872 -15.558 -1.128 773 HG1 THR 100 HG1 THR 100 1.398 -13.410 -1.187 774 HG21 THR 100 1HG2 THR 100 0.634 -15.329 -0.146 775 HG22 THR 100 2HG2 THR 100 1.251 -14.228 1.086 776 HG23 THR 100 3HG2 THR 100 1.754 -15.921 1.087 777 H ILE 101 H ILE 101 3.229 -12.000 0.599 778 HA ILE 101 HA ILE 101 3.982 -11.651 3.367 779 HB ILE 101 HB ILE 101 2.584 -9.778 1.412 780 HG12 ILE 101 2HG1 ILE 101 4.748 -8.422 1.681 781 HG13 ILE 101 3HG1 ILE 101 5.424 -9.809 2.515 782 HG21 ILE 101 1HG2 ILE 101 3.411 -9.158 4.270 783 HG22 ILE 101 2HG2 ILE 101 1.760 -9.235 3.653 784 HG23 ILE 101 3HG2 ILE 101 2.849 -7.966 3.095 785 HD11 ILE 101 1HD1 ILE 101 4.504 -9.733 -0.355 786 HD12 ILE 101 2HD1 ILE 101 5.196 -11.134 0.464 787 HD13 ILE 101 3HD1 ILE 101 6.172 -9.686 0.214 788 H ARG 102 H ARG 102 2.679 -11.697 5.120 789 HA ARG 102 HA ARG 102 -0.225 -12.243 4.830 790 HB2 ARG 102 2HB ARG 102 1.821 -13.552 6.659 791 HB3 ARG 102 3HB ARG 102 0.091 -13.692 6.944 792 HG2 ARG 102 2HG ARG 102 1.488 -14.611 4.409 793 HG3 ARG 102 3HG ARG 102 1.094 -15.656 5.776 794 HD2 ARG 102 2HD ARG 102 -0.907 -14.134 4.077 795 HD3 ARG 102 3HD ARG 102 -0.582 -15.870 4.003 796 HE ARG 102 HE ARG 102 -1.231 -15.299 6.644 797 HH11 ARG 102 1HH1 ARG 102 -2.914 -15.220 3.540 798 HH12 ARG 102 2HH1 ARG 102 -4.473 -15.496 4.262 799 HH21 ARG 102 1HH2 ARG 102 -3.287 -15.608 7.551 800 HH22 ARG 102 2HH2 ARG 102 -4.685 -15.714 6.517 801 H ARG 103 H ARG 103 1.831 -9.907 5.814 802 HA ARG 103 HA ARG 103 -0.120 -8.763 7.637 803 HB2 ARG 103 2HB ARG 103 1.610 -10.205 8.996 804 HB3 ARG 103 3HB ARG 103 2.749 -8.935 8.617 805 HG2 ARG 103 2HG ARG 103 1.885 -8.521 10.814 806 HG3 ARG 103 3HG ARG 103 1.240 -7.285 9.733 807 HD2 ARG 103 2HD ARG 103 -0.886 -8.604 9.575 808 HD3 ARG 103 3HD ARG 103 -0.224 -9.746 10.751 809 HE ARG 103 HE ARG 103 -0.052 -7.231 11.916 810 HH11 ARG 103 1HH1 ARG 103 -2.635 -9.338 10.779 811 HH12 ARG 103 2HH1 ARG 103 -3.801 -8.726 11.907 812 HH21 ARG 103 1HH2 ARG 103 -1.596 -6.434 13.392 813 HH22 ARG 103 2HH2 ARG 103 -3.207 -7.075 13.393 814 H VAL 104 H VAL 104 -0.267 -6.647 7.207 815 HA VAL 104 HA VAL 104 1.949 -5.187 5.869 816 HB VAL 104 HB VAL 104 -0.121 -5.270 4.513 817 HG11 VAL 104 1HG1 VAL 104 -1.799 -5.563 6.259 818 HG12 VAL 104 2HG1 VAL 104 -2.223 -4.194 5.230 819 HG13 VAL 104 3HG1 VAL 104 -1.533 -3.914 6.831 820 HG21 VAL 104 1HG2 VAL 104 1.272 -3.244 4.319 821 HG22 VAL 104 2HG2 VAL 104 0.345 -2.466 5.603 822 HG23 VAL 104 3HG2 VAL 104 -0.432 -2.860 4.067 823 H THR 105 H THR 105 2.585 -3.180 6.720 824 HA THR 105 HA THR 105 1.249 -2.157 9.164 825 HB THR 105 HB THR 105 4.264 -2.018 8.650 826 HG1 THR 105 HG1 THR 105 3.850 -4.160 9.049 827 HG21 THR 105 1HG2 THR 105 4.397 -1.412 11.047 828 HG22 THR 105 2HG2 THR 105 2.638 -1.463 11.166 829 HG23 THR 105 3HG2 THR 105 3.415 -0.247 10.152 830 H VAL 106 H VAL 106 0.215 -0.395 8.310 831 HA VAL 106 HA VAL 106 1.532 1.363 6.366 832 HB VAL 106 HB VAL 106 -1.227 1.636 7.668 833 HG11 VAL 106 1HG1 VAL 106 -0.049 3.118 5.284 834 HG12 VAL 106 2HG1 VAL 106 -0.362 3.802 6.881 835 HG13 VAL 106 3HG1 VAL 106 -1.706 3.268 5.872 836 HG21 VAL 106 1HG2 VAL 106 -1.100 -0.411 6.300 837 HG22 VAL 106 2HG2 VAL 106 -0.516 0.524 4.922 838 HG23 VAL 106 3HG2 VAL 106 -2.151 0.784 5.534 839 H THR 107 H THR 107 3.097 2.567 7.303 840 HA THR 107 HA THR 107 2.523 4.071 9.800 841 HB THR 107 HB THR 107 5.242 3.253 8.658 842 HG1 THR 107 HG1 THR 107 3.468 1.994 10.386 843 HG21 THR 107 1HG2 THR 107 5.393 5.309 10.028 844 HG22 THR 107 2HG2 THR 107 6.149 3.945 10.855 845 HG23 THR 107 3HG2 THR 107 4.547 4.496 11.349 846 H GLN 108 H GLN 108 1.803 6.042 9.083 847 HA GLN 108 HA GLN 108 2.813 7.366 6.737 848 HB2 GLN 108 2HB GLN 108 0.501 7.749 7.623 849 HB3 GLN 108 3HB GLN 108 1.186 8.511 9.055 850 HG2 GLN 108 2HG GLN 108 2.189 10.270 7.613 851 HG3 GLN 108 3HG GLN 108 1.446 9.522 6.202 852 HE21 GLN 108 1HE2 GLN 108 1.106 12.222 7.275 853 HE22 GLN 108 2HE2 GLN 108 -0.587 12.405 7.549 854 H ASN 109 H ASN 109 4.905 7.951 6.732 855 HA ASN 109 HA ASN 109 6.547 8.383 8.976 856 HB2 ASN 109 2HB ASN 109 7.360 7.658 6.739 857 HB3 ASN 109 3HB ASN 109 7.011 9.251 6.093 858 HD21 ASN 109 1HD2 ASN 109 9.109 7.393 8.166 859 HD22 ASN 109 2HD2 ASN 109 10.399 8.526 8.215 860 H GLY 110 H GLY 110 5.961 9.893 10.355 861 HA2 GLY 110 2HA GLY 110 6.489 12.540 10.374 862 HA3 GLY 110 3HA GLY 110 4.873 12.491 9.669 863 H GLY 111 H GLY 111 3.142 12.317 11.038 864 HA2 GLY 111 2HA GLY 111 1.889 11.779 12.920 865 HA3 GLY 111 3HA GLY 111 3.313 11.058 13.655 866 H SER 112 H SER 112 5.097 13.066 13.804 867 HA SER 112 HA SER 112 4.240 14.747 15.902 868 HB2 SER 112 2HB SER 112 6.753 14.947 14.184 869 HB3 SER 112 3HB SER 112 6.524 15.660 15.786 870 HG SER 112 HG SER 112 7.233 13.831 16.520 871 H LEU 113 H LEU 113 3.310 16.681 15.839 872 HA LEU 113 HA LEU 113 2.457 17.964 13.433 873 HB2 LEU 113 2HB LEU 113 2.312 18.844 16.342 874 HB3 LEU 113 3HB LEU 113 1.618 19.771 15.028 875 HG LEU 113 HG LEU 113 -0.176 18.581 16.087 876 HD11 LEU 113 1HD1 LEU 113 0.444 17.126 13.506 877 HD12 LEU 113 2HD1 LEU 113 -0.337 18.702 13.654 878 HD13 LEU 113 3HD1 LEU 113 -1.136 17.266 14.285 879 HD21 LEU 113 1HD2 LEU 113 -0.287 16.149 16.393 880 HD22 LEU 113 2HD2 LEU 113 1.092 16.828 17.255 881 HD23 LEU 113 3HD2 LEU 113 1.344 15.974 15.732 882 H GLU 114 H GLU 114 5.184 18.359 15.563 883 HA GLU 114 HA GLU 114 6.155 20.855 14.598 884 HB2 GLU 114 2HB GLU 114 7.667 18.537 15.874 885 HB3 GLU 114 3HB GLU 114 8.321 20.150 15.602 886 HG2 GLU 114 2HG GLU 114 6.563 21.083 17.115 887 HG3 GLU 114 3HG GLU 114 6.005 19.441 17.424 888 H HIS 115 H HIS 115 6.326 21.063 12.462 889 HA HIS 115 HA HIS 115 7.196 18.881 10.713 890 HB2 HIS 115 2HB HIS 115 5.119 20.142 10.210 891 HB3 HIS 115 3HB HIS 115 6.037 21.634 10.084 892 HD1 HIS 115 HD1 HIS 115 6.779 22.261 7.792 893 HD2 HIS 115 HD2 HIS 115 5.856 18.217 8.059 894 HE1 HIS 115 HE1 HIS 115 7.031 21.354 5.467 895 HE2 HIS 115 HE2 HIS 115 6.473 18.916 5.660 896 H HIS 116 H HIS 116 8.973 20.882 12.470 897 HA HIS 116 HA HIS 116 11.047 21.281 10.369 898 HB2 HIS 116 2HB HIS 116 10.776 22.797 13.013 899 HB3 HIS 116 3HB HIS 116 12.020 23.053 11.793 900 HD1 HIS 116 HD1 HIS 116 9.454 24.912 12.962 901 HD2 HIS 116 HD2 HIS 116 10.171 23.452 9.131 902 HE1 HIS 116 HE1 HIS 116 8.180 26.423 11.403 903 HE2 HIS 116 HE2 HIS 116 8.503 25.409 9.128 904 H HIS 117 H HIS 117 12.459 19.623 10.495 905 HA HIS 117 HA HIS 117 13.352 18.508 13.054 906 HB2 HIS 117 2HB HIS 117 14.290 17.957 10.191 907 HB3 HIS 117 3HB HIS 117 14.861 17.100 11.620 908 HD1 HIS 117 HD1 HIS 117 12.657 16.594 8.940 909 HD2 HIS 117 HD2 HIS 117 12.346 15.927 13.033 910 HE1 HIS 117 HE1 HIS 117 10.847 14.873 9.208 911 HE2 HIS 117 HE2 HIS 117 10.870 14.315 11.659 912 H HIS 118 H HIS 118 14.400 20.681 10.513 913 HA HIS 118 HA HIS 118 17.076 21.160 11.278 914 HB2 HIS 118 2HB HIS 118 16.250 21.737 9.044 915 HB3 HIS 118 3HB HIS 118 15.101 22.880 9.718 916 HD1 HIS 118 HD1 HIS 118 15.858 25.246 9.861 917 HD2 HIS 118 HD2 HIS 118 19.049 22.629 9.361 918 HE1 HIS 118 HE1 HIS 118 17.884 26.697 9.571 919 HE2 HIS 118 HE2 HIS 118 19.808 25.095 9.438 920 H HIS 119 H HIS 119 17.652 21.927 13.194 921 HA HIS 119 HA HIS 119 15.965 23.575 14.883 922 HB2 HIS 119 2HB HIS 119 18.839 22.621 15.291 923 HB3 HIS 119 3HB HIS 119 17.836 23.387 16.520 924 HD1 HIS 119 HD1 HIS 119 18.937 20.175 15.550 925 HD2 HIS 119 HD2 HIS 119 15.307 21.690 16.892 926 HE1 HIS 119 HE1 HIS 119 17.668 18.201 16.441 927 HE2 HIS 119 HE2 HIS 119 15.620 19.200 17.490 928 H HIS 120 H HIS 120 16.856 25.568 15.894 929 HA HIS 120 HA HIS 120 18.078 27.346 13.901 930 HB2 HIS 120 2HB HIS 120 16.017 28.118 15.037 931 HB3 HIS 120 3HB HIS 120 16.798 27.976 16.609 932 HD1 HIS 120 HD1 HIS 120 17.623 30.144 17.473 933 HD2 HIS 120 HD2 HIS 120 17.554 30.120 13.314 934 HE1 HIS 120 HE1 HIS 120 18.281 32.462 16.773 935 HE2 HIS 120 HE2 HIS 120 18.184 32.437 14.261 Start of MODEL 20 1 H1 MET 1 1H MET 1 4.521 -18.279 -8.836 2 H2 MET 1 2H MET 1 4.643 -17.682 -7.260 3 H3 MET 1 3H MET 1 5.721 -18.869 -7.806 4 HA MET 1 HA MET 1 6.702 -17.414 -9.352 5 HB2 MET 1 2HB MET 1 6.042 -15.062 -9.564 6 HB3 MET 1 3HB MET 1 4.682 -16.113 -9.916 7 HG2 MET 1 2HG MET 1 3.772 -15.663 -7.646 8 HG3 MET 1 3HG MET 1 5.111 -14.547 -7.353 9 HE1 MET 1 1HE MET 1 2.074 -12.084 -7.827 10 HE2 MET 1 2HE MET 1 3.412 -12.551 -6.780 11 HE3 MET 1 3HE MET 1 2.051 -13.650 -7.011 12 H GLN 2 H GLN 2 5.611 -16.764 -6.084 13 HA GLN 2 HA GLN 2 6.461 -15.925 -4.200 14 HB2 GLN 2 2HB GLN 2 8.396 -17.084 -3.321 15 HB3 GLN 2 3HB GLN 2 7.417 -18.199 -4.260 16 HG2 GLN 2 2HG GLN 2 9.042 -17.948 -6.151 17 HG3 GLN 2 3HG GLN 2 10.053 -16.953 -5.108 18 HE21 GLN 2 1HE2 GLN 2 11.063 -17.965 -3.273 19 HE22 GLN 2 2HE2 GLN 2 11.314 -19.674 -3.237 20 H ASP 3 H ASP 3 6.927 -14.172 -6.523 21 HA ASP 3 HA ASP 3 9.401 -12.746 -5.962 22 HB2 ASP 3 2HB ASP 3 7.043 -12.031 -7.772 23 HB3 ASP 3 3HB ASP 3 8.529 -11.089 -7.650 24 H ILE 4 H ILE 4 8.986 -12.448 -3.714 25 HA ILE 4 HA ILE 4 6.564 -11.288 -2.715 26 HB ILE 4 HB ILE 4 9.193 -11.765 -1.237 27 HG12 ILE 4 2HG1 ILE 4 8.337 -13.871 -2.199 28 HG13 ILE 4 3HG1 ILE 4 8.177 -13.892 -0.447 29 HG21 ILE 4 1HG2 ILE 4 6.392 -11.295 -0.136 30 HG22 ILE 4 2HG2 ILE 4 7.782 -10.223 0.027 31 HG23 ILE 4 3HG2 ILE 4 7.785 -11.791 0.828 32 HD11 ILE 4 1HD1 ILE 4 5.960 -13.358 -2.417 33 HD12 ILE 4 2HD1 ILE 4 5.796 -13.404 -0.656 34 HD13 ILE 4 3HD1 ILE 4 6.260 -14.855 -1.541 35 H VAL 5 H VAL 5 9.782 -10.041 -3.420 36 HA VAL 5 HA VAL 5 9.577 -7.564 -2.009 37 HB VAL 5 HB VAL 5 11.396 -8.244 -4.378 38 HG11 VAL 5 1HG1 VAL 5 11.758 -6.202 -2.149 39 HG12 VAL 5 2HG1 VAL 5 11.315 -5.823 -3.819 40 HG13 VAL 5 3HG1 VAL 5 12.898 -6.518 -3.463 41 HG21 VAL 5 1HG2 VAL 5 11.613 -9.943 -2.584 42 HG22 VAL 5 2HG2 VAL 5 11.923 -8.666 -1.405 43 HG23 VAL 5 3HG2 VAL 5 13.076 -8.962 -2.708 44 H GLU 6 H GLU 6 9.061 -8.572 -5.375 45 HA GLU 6 HA GLU 6 8.155 -6.050 -6.377 46 HB2 GLU 6 2HB GLU 6 9.074 -7.820 -7.871 47 HB3 GLU 6 3HB GLU 6 7.693 -8.849 -7.499 48 HG2 GLU 6 2HG GLU 6 6.170 -7.226 -8.545 49 HG3 GLU 6 3HG GLU 6 7.525 -6.144 -8.869 50 H ALA 7 H ALA 7 6.579 -8.876 -4.942 51 HA ALA 7 HA ALA 7 3.878 -8.202 -5.468 52 HB1 ALA 7 1HB ALA 7 4.559 -10.465 -4.764 53 HB2 ALA 7 2HB ALA 7 3.318 -9.818 -3.688 54 HB3 ALA 7 3HB ALA 7 5.008 -9.848 -3.172 55 H ALA 8 H ALA 8 6.078 -7.417 -2.821 56 HA ALA 8 HA ALA 8 4.195 -6.126 -1.112 57 HB1 ALA 8 1HB ALA 8 6.195 -5.350 0.105 58 HB2 ALA 8 2HB ALA 8 7.221 -5.912 -1.220 59 HB3 ALA 8 3HB ALA 8 6.291 -7.073 -0.272 60 H LYS 9 H LYS 9 6.412 -5.056 -3.637 61 HA LYS 9 HA LYS 9 6.138 -2.273 -3.342 62 HB2 LYS 9 2HB LYS 9 7.932 -3.296 -4.694 63 HB3 LYS 9 3HB LYS 9 6.744 -3.898 -5.851 64 HG2 LYS 9 2HG LYS 9 6.123 -1.544 -6.389 65 HG3 LYS 9 3HG LYS 9 7.359 -0.977 -5.274 66 HD2 LYS 9 2HD LYS 9 9.112 -2.014 -6.651 67 HD3 LYS 9 3HD LYS 9 7.890 -2.669 -7.747 68 HE2 LYS 9 2HE LYS 9 7.201 -0.342 -8.313 69 HE3 LYS 9 3HE LYS 9 8.486 0.274 -7.270 70 HZ1 LYS 9 1HZ LYS 9 8.828 -1.368 -9.720 71 HZ2 LYS 9 2HZ LYS 9 10.084 -0.914 -8.688 72 HZ3 LYS 9 3HZ LYS 9 9.220 0.270 -9.534 73 H GLN 10 H GLN 10 4.513 -4.494 -5.652 74 HA GLN 10 HA GLN 10 2.729 -2.545 -6.691 75 HB2 GLN 10 2HB GLN 10 1.649 -4.351 -7.889 76 HB3 GLN 10 3HB GLN 10 3.389 -4.604 -7.936 77 HG2 GLN 10 2HG GLN 10 3.179 -6.306 -6.146 78 HG3 GLN 10 3HG GLN 10 1.434 -6.074 -6.134 79 HE21 GLN 10 1HE2 GLN 10 0.204 -6.845 -7.919 80 HE22 GLN 10 2HE2 GLN 10 0.841 -8.023 -9.010 81 H ALA 11 H ALA 11 2.621 -4.605 -3.893 82 HA ALA 11 HA ALA 11 -0.155 -4.515 -3.352 83 HB1 ALA 11 1HB ALA 11 0.441 -5.156 -1.053 84 HB2 ALA 11 2HB ALA 11 2.142 -4.812 -1.387 85 HB3 ALA 11 3HB ALA 11 1.326 -6.126 -2.232 86 H ALA 12 H ALA 12 2.596 -2.544 -2.195 87 HA ALA 12 HA ALA 12 1.208 -0.703 -0.621 88 HB1 ALA 12 1HB ALA 12 3.659 -0.921 -0.607 89 HB2 ALA 12 2HB ALA 12 3.180 0.752 -0.902 90 HB3 ALA 12 3HB ALA 12 3.739 -0.254 -2.241 91 H ILE 13 H ILE 13 2.074 -0.574 -4.059 92 HA ILE 13 HA ILE 13 1.026 1.946 -4.732 93 HB ILE 13 HB ILE 13 1.459 -0.522 -6.487 94 HG12 ILE 13 2HG1 ILE 13 3.279 1.896 -6.017 95 HG13 ILE 13 3HG1 ILE 13 3.523 0.290 -5.342 96 HG21 ILE 13 1HG2 ILE 13 1.097 2.361 -7.381 97 HG22 ILE 13 2HG2 ILE 13 -0.073 1.062 -7.590 98 HG23 ILE 13 3HG2 ILE 13 1.472 0.989 -8.431 99 HD11 ILE 13 1HD1 ILE 13 4.999 0.646 -7.205 100 HD12 ILE 13 2HD1 ILE 13 3.644 1.028 -8.266 101 HD13 ILE 13 3HD1 ILE 13 3.827 -0.605 -7.615 102 H ALA 14 H ALA 14 -0.469 -1.291 -4.703 103 HA ALA 14 HA ALA 14 -2.939 -0.510 -5.957 104 HB1 ALA 14 1HB ALA 14 -2.091 -2.802 -6.142 105 HB2 ALA 14 2HB ALA 14 -3.699 -2.781 -5.414 106 HB3 ALA 14 3HB ALA 14 -2.273 -3.025 -4.401 107 H ILE 15 H ILE 15 -1.810 -0.779 -2.634 108 HA ILE 15 HA ILE 15 -4.282 -0.453 -1.278 109 HB ILE 15 HB ILE 15 -1.395 0.151 -0.482 110 HG12 ILE 15 2HG1 ILE 15 -3.343 -1.986 0.509 111 HG13 ILE 15 3HG1 ILE 15 -2.095 -2.249 -0.701 112 HG21 ILE 15 1HG2 ILE 15 -2.773 1.761 0.769 113 HG22 ILE 15 2HG2 ILE 15 -2.108 0.536 1.850 114 HG23 ILE 15 3HG2 ILE 15 -3.798 0.447 1.353 115 HD11 ILE 15 1HD1 ILE 15 -1.653 -1.570 2.207 116 HD12 ILE 15 2HD1 ILE 15 -0.378 -1.743 0.997 117 HD13 ILE 15 3HD1 ILE 15 -1.389 -3.125 1.418 118 H PHE 16 H PHE 16 -1.952 1.814 -2.695 119 HA PHE 16 HA PHE 16 -3.272 4.216 -1.839 120 HB2 PHE 16 2HB PHE 16 -1.286 3.829 -4.119 121 HB3 PHE 16 3HB PHE 16 -1.753 5.376 -3.413 122 HD1 PHE 16 HD1 PHE 16 -1.733 4.409 -0.458 123 HD2 PHE 16 HD2 PHE 16 1.075 3.999 -3.676 124 HE1 PHE 16 HE1 PHE 16 0.104 4.235 1.159 125 HE2 PHE 16 HE2 PHE 16 2.898 3.822 -2.042 126 HZ PHE 16 HZ PHE 16 2.414 3.940 0.369 127 H GLN 17 H GLN 17 -3.417 2.181 -4.748 128 HA GLN 17 HA GLN 17 -5.106 3.767 -6.363 129 HB2 GLN 17 2HB GLN 17 -4.790 0.745 -6.202 130 HB3 GLN 17 3HB GLN 17 -5.805 1.531 -7.409 131 HG2 GLN 17 2HG GLN 17 -3.891 2.631 -8.391 132 HG3 GLN 17 3HG GLN 17 -2.840 2.048 -7.098 133 HE21 GLN 17 1HE2 GLN 17 -1.496 1.064 -8.633 134 HE22 GLN 17 2HE2 GLN 17 -1.921 -0.413 -9.410 135 H LEU 18 H LEU 18 -5.804 1.447 -3.776 136 HA LEU 18 HA LEU 18 -8.651 1.676 -3.991 137 HB2 LEU 18 2HB LEU 18 -6.905 0.590 -1.757 138 HB3 LEU 18 3HB LEU 18 -8.662 0.574 -1.704 139 HG LEU 18 HG LEU 18 -6.900 -0.933 -3.681 140 HD11 LEU 18 1HD1 LEU 18 -6.963 -1.948 -1.463 141 HD12 LEU 18 2HD1 LEU 18 -7.799 -2.946 -2.647 142 HD13 LEU 18 3HD1 LEU 18 -8.730 -1.974 -1.504 143 HD21 LEU 18 1HD2 LEU 18 -8.962 -1.909 -4.598 144 HD22 LEU 18 2HD2 LEU 18 -8.915 -0.168 -4.845 145 HD23 LEU 18 3HD2 LEU 18 -9.937 -0.846 -3.574 146 H TRP 19 H TRP 19 -6.159 3.283 -1.993 147 HA TRP 19 HA TRP 19 -7.870 4.707 -0.271 148 HB2 TRP 19 2HB TRP 19 -5.025 5.210 -1.182 149 HB3 TRP 19 3HB TRP 19 -5.837 6.350 -0.118 150 HD1 TRP 19 HD1 TRP 19 -6.948 2.970 0.942 151 HE1 TRP 19 HE1 TRP 19 -5.587 2.183 2.979 152 HE3 TRP 19 HE3 TRP 19 -3.170 6.431 0.792 153 HZ2 TRP 19 HZ2 TRP 19 -3.242 2.931 4.349 154 HZ3 TRP 19 HZ3 TRP 19 -1.408 6.328 2.514 155 HH2 TRP 19 HH2 TRP 19 -1.447 4.614 4.255 156 H LYS 20 H LYS 20 -6.962 5.383 -3.587 157 HA LYS 20 HA LYS 20 -8.464 7.928 -3.563 158 HB2 LYS 20 2HB LYS 20 -7.462 8.378 -5.753 159 HB3 LYS 20 3HB LYS 20 -6.225 8.037 -4.549 160 HG2 LYS 20 2HG LYS 20 -6.064 5.702 -5.444 161 HG3 LYS 20 3HG LYS 20 -7.203 6.143 -6.714 162 HD2 LYS 20 2HD LYS 20 -4.534 7.548 -6.301 163 HD3 LYS 20 3HD LYS 20 -4.735 6.152 -7.357 164 HE2 LYS 20 2HE LYS 20 -4.795 8.129 -8.729 165 HE3 LYS 20 3HE LYS 20 -6.428 7.473 -8.676 166 HZ1 LYS 20 1HZ LYS 20 -7.044 9.173 -7.097 167 HZ2 LYS 20 2HZ LYS 20 -6.361 9.896 -8.461 168 HZ3 LYS 20 3HZ LYS 20 -5.461 9.759 -7.039 169 H ASN 21 H ASN 21 -8.849 4.621 -4.440 170 HA ASN 21 HA ASN 21 -11.578 5.100 -5.274 171 HB2 ASN 21 2HB ASN 21 -10.351 5.362 -7.451 172 HB3 ASN 21 3HB ASN 21 -9.716 3.729 -7.270 173 HD21 ASN 21 1HD2 ASN 21 -10.713 2.765 -8.962 174 HD22 ASN 21 2HD2 ASN 21 -12.418 2.651 -9.194 175 HA PRO 22 HA PRO 22 -10.954 1.246 -2.676 176 HB2 PRO 22 2HB PRO 22 -13.533 1.261 -1.618 177 HB3 PRO 22 3HB PRO 22 -12.196 2.224 -0.957 178 HG2 PRO 22 2HG PRO 22 -14.328 3.075 -2.908 179 HG3 PRO 22 3HG PRO 22 -13.781 3.894 -1.418 180 HD2 PRO 22 2HD PRO 22 -12.887 4.707 -3.795 181 HD3 PRO 22 3HD PRO 22 -11.758 4.618 -2.422 182 H THR 23 H THR 23 -13.323 2.021 -5.098 183 HA THR 23 HA THR 23 -14.350 -0.709 -5.337 184 HB THR 23 HB THR 23 -15.899 0.316 -7.020 185 HG1 THR 23 HG1 THR 23 -14.606 1.992 -7.795 186 HG21 THR 23 1HG2 THR 23 -17.205 1.721 -5.463 187 HG22 THR 23 2HG2 THR 23 -15.808 1.872 -4.395 188 HG23 THR 23 3HG2 THR 23 -16.581 0.301 -4.622 189 H ASP 24 H ASP 24 -11.517 0.489 -6.281 190 HA ASP 24 HA ASP 24 -11.437 -0.050 -9.096 191 HB2 ASP 24 2HB ASP 24 -9.773 1.428 -7.867 192 HB3 ASP 24 3HB ASP 24 -9.071 -0.031 -7.168 193 HA PRO 25 HA PRO 25 -11.850 -4.473 -8.255 194 HB2 PRO 25 2HB PRO 25 -11.819 -5.386 -10.867 195 HB3 PRO 25 3HB PRO 25 -13.228 -4.587 -10.135 196 HG2 PRO 25 2HG PRO 25 -11.104 -3.401 -11.906 197 HG3 PRO 25 3HG PRO 25 -12.873 -3.207 -11.987 198 HD2 PRO 25 2HD PRO 25 -11.317 -1.311 -10.853 199 HD3 PRO 25 3HD PRO 25 -12.929 -1.683 -10.204 200 H GLU 26 H GLU 26 -9.281 -3.256 -10.411 201 HA GLU 26 HA GLU 26 -7.826 -5.721 -10.578 202 HB2 GLU 26 2HB GLU 26 -6.942 -2.881 -11.252 203 HB3 GLU 26 3HB GLU 26 -6.055 -4.347 -11.674 204 HG2 GLU 26 2HG GLU 26 -8.008 -5.088 -13.039 205 HG3 GLU 26 3HG GLU 26 -8.802 -3.550 -12.687 206 H ALA 27 H ALA 27 -7.516 -2.796 -8.613 207 HA ALA 27 HA ALA 27 -4.981 -3.246 -7.473 208 HB1 ALA 27 1HB ALA 27 -6.122 -1.058 -7.427 209 HB2 ALA 27 2HB ALA 27 -5.648 -1.558 -5.801 210 HB3 ALA 27 3HB ALA 27 -7.333 -1.700 -6.315 211 H GLN 28 H GLN 28 -8.227 -3.799 -6.070 212 HA GLN 28 HA GLN 28 -7.325 -5.156 -3.736 213 HB2 GLN 28 2HB GLN 28 -9.763 -5.741 -3.437 214 HB3 GLN 28 3HB GLN 28 -9.456 -4.024 -3.692 215 HG2 GLN 28 2HG GLN 28 -10.035 -4.402 -6.147 216 HG3 GLN 28 3HG GLN 28 -10.595 -6.006 -5.682 217 HE21 GLN 28 1HE2 GLN 28 -11.175 -2.556 -5.340 218 HE22 GLN 28 2HE2 GLN 28 -12.809 -2.692 -4.792 219 H GLU 29 H GLU 29 -7.949 -6.264 -6.996 220 HA GLU 29 HA GLU 29 -8.408 -9.024 -6.426 221 HB2 GLU 29 2HB GLU 29 -9.075 -7.943 -8.569 222 HB3 GLU 29 3HB GLU 29 -7.378 -7.784 -9.017 223 HG2 GLU 29 2HG GLU 29 -7.145 -10.238 -9.042 224 HG3 GLU 29 3HG GLU 29 -8.826 -10.411 -8.533 225 H LEU 30 H LEU 30 -5.462 -7.219 -7.393 226 HA LEU 30 HA LEU 30 -3.789 -9.535 -7.352 227 HB2 LEU 30 2HB LEU 30 -1.912 -8.046 -7.686 228 HB3 LEU 30 3HB LEU 30 -3.235 -7.606 -8.738 229 HG LEU 30 HG LEU 30 -3.695 -5.743 -6.851 230 HD11 LEU 30 1HD1 LEU 30 -0.727 -6.259 -6.482 231 HD12 LEU 30 2HD1 LEU 30 -1.990 -6.460 -5.265 232 HD13 LEU 30 3HD1 LEU 30 -1.609 -4.854 -5.878 233 HD21 LEU 30 1HD2 LEU 30 -3.195 -5.233 -9.203 234 HD22 LEU 30 2HD2 LEU 30 -1.469 -5.443 -8.895 235 HD23 LEU 30 3HD2 LEU 30 -2.354 -4.126 -8.118 236 H LEU 31 H LEU 31 -4.767 -7.161 -4.957 237 HA LEU 31 HA LEU 31 -2.946 -7.841 -2.881 238 HB2 LEU 31 2HB LEU 31 -5.738 -6.642 -2.689 239 HB3 LEU 31 3HB LEU 31 -4.623 -6.773 -1.336 240 HG LEU 31 HG LEU 31 -4.237 -5.064 -3.821 241 HD11 LEU 31 1HD1 LEU 31 -5.862 -4.121 -2.271 242 HD12 LEU 31 2HD1 LEU 31 -4.382 -3.164 -2.285 243 HD13 LEU 31 3HD1 LEU 31 -4.708 -4.262 -0.940 244 HD21 LEU 31 1HD2 LEU 31 -2.083 -5.960 -3.090 245 HD22 LEU 31 2HD2 LEU 31 -2.382 -5.374 -1.452 246 HD23 LEU 31 3HD2 LEU 31 -2.194 -4.230 -2.782 247 H ASN 32 H ASN 32 -5.933 -9.340 -3.990 248 HA ASN 32 HA ASN 32 -6.391 -10.986 -1.680 249 HB2 ASN 32 2HB ASN 32 -8.093 -10.346 -3.498 250 HB3 ASN 32 3HB ASN 32 -7.329 -11.543 -4.531 251 HD21 ASN 32 1HD2 ASN 32 -10.075 -11.333 -3.431 252 HD22 ASN 32 2HD2 ASN 32 -10.374 -12.830 -2.625 253 H LYS 33 H LYS 33 -4.291 -11.158 -4.414 254 HA LYS 33 HA LYS 33 -3.784 -14.021 -4.281 255 HB2 LYS 33 2HB LYS 33 -2.503 -11.811 -5.952 256 HB3 LYS 33 3HB LYS 33 -2.208 -13.539 -6.156 257 HG2 LYS 33 2HG LYS 33 -4.559 -13.895 -6.783 258 HG3 LYS 33 3HG LYS 33 -4.909 -12.186 -6.511 259 HD2 LYS 33 2HD LYS 33 -4.643 -12.691 -8.912 260 HD3 LYS 33 3HD LYS 33 -3.420 -11.552 -8.345 261 HE2 LYS 33 2HE LYS 33 -2.470 -13.246 -9.874 262 HE3 LYS 33 3HE LYS 33 -1.746 -13.354 -8.271 263 HZ1 LYS 33 1HZ LYS 33 -2.283 -15.531 -9.212 264 HZ2 LYS 33 2HZ LYS 33 -3.919 -15.115 -9.289 265 HZ3 LYS 33 3HZ LYS 33 -3.153 -15.250 -7.789 266 H ILE 34 H ILE 34 -2.139 -11.004 -3.369 267 HA ILE 34 HA ILE 34 0.314 -12.499 -2.588 268 HB ILE 34 HB ILE 34 1.494 -10.337 -2.747 269 HG12 ILE 34 2HG1 ILE 34 -1.276 -9.210 -3.368 270 HG13 ILE 34 3HG1 ILE 34 -0.200 -8.744 -2.059 271 HG21 ILE 34 1HG2 ILE 34 1.347 -10.033 -5.196 272 HG22 ILE 34 2HG2 ILE 34 -0.183 -10.912 -5.229 273 HG23 ILE 34 3HG2 ILE 34 1.307 -11.745 -4.772 274 HD11 ILE 34 1HD1 ILE 34 1.332 -7.752 -3.687 275 HD12 ILE 34 2HD1 ILE 34 -0.280 -7.051 -3.762 276 HD13 ILE 34 3HD1 ILE 34 0.233 -8.200 -4.996 277 H LEU 35 H LEU 35 -2.329 -10.744 -1.258 278 HA LEU 35 HA LEU 35 -1.144 -10.895 1.469 279 HB2 LEU 35 2HB LEU 35 -3.174 -8.887 0.382 280 HB3 LEU 35 3HB LEU 35 -2.695 -9.000 2.067 281 HG LEU 35 HG LEU 35 -0.747 -8.291 -0.170 282 HD11 LEU 35 1HD1 LEU 35 -2.181 -6.367 1.690 283 HD12 LEU 35 2HD1 LEU 35 -2.511 -6.567 -0.030 284 HD13 LEU 35 3HD1 LEU 35 -0.945 -5.958 0.497 285 HD21 LEU 35 1HD2 LEU 35 0.293 -9.205 1.851 286 HD22 LEU 35 2HD2 LEU 35 -0.532 -7.998 2.843 287 HD23 LEU 35 3HD2 LEU 35 0.675 -7.498 1.655 288 H SER 36 H SER 36 -2.983 -11.073 3.145 289 HA SER 36 HA SER 36 -4.856 -13.119 2.536 290 HB2 SER 36 2HB SER 36 -4.858 -11.170 4.889 291 HB3 SER 36 3HB SER 36 -5.712 -12.712 4.809 292 HG SER 36 HG SER 36 -3.840 -13.075 5.909 293 HA PRO 37 HA PRO 37 -8.289 -10.748 0.630 294 HB2 PRO 37 2HB PRO 37 -9.977 -12.634 2.284 295 HB3 PRO 37 3HB PRO 37 -10.113 -12.214 0.560 296 HG2 PRO 37 2HG PRO 37 -9.062 -14.544 1.237 297 HG3 PRO 37 3HG PRO 37 -8.313 -13.589 -0.064 298 HD2 PRO 37 2HD PRO 37 -7.393 -13.942 2.782 299 HD3 PRO 37 3HD PRO 37 -6.433 -13.862 1.287 300 H ASP 38 H ASP 38 -7.982 -11.198 4.073 301 HA ASP 38 HA ASP 38 -9.961 -9.356 4.991 302 HB2 ASP 38 2HB ASP 38 -9.116 -11.176 6.408 303 HB3 ASP 38 3HB ASP 38 -7.487 -10.509 6.349 304 H VAL 39 H VAL 39 -6.560 -9.074 4.127 305 HA VAL 39 HA VAL 39 -5.950 -6.614 5.386 306 HB VAL 39 HB VAL 39 -4.589 -7.951 2.991 307 HG11 VAL 39 1HG1 VAL 39 -2.603 -6.568 3.600 308 HG12 VAL 39 2HG1 VAL 39 -3.580 -5.725 4.804 309 HG13 VAL 39 3HG1 VAL 39 -3.974 -5.578 3.091 310 HG21 VAL 39 1HG2 VAL 39 -3.907 -8.071 5.960 311 HG22 VAL 39 2HG2 VAL 39 -2.949 -8.794 4.664 312 HG23 VAL 39 3HG2 VAL 39 -4.578 -9.389 4.997 313 H LEU 40 H LEU 40 -7.079 -7.376 2.076 314 HA LEU 40 HA LEU 40 -6.963 -4.643 1.155 315 HB2 LEU 40 2HB LEU 40 -8.103 -5.488 -0.856 316 HB3 LEU 40 3HB LEU 40 -6.737 -6.484 -0.406 317 HG LEU 40 HG LEU 40 -8.699 -7.928 0.811 318 HD11 LEU 40 1HD1 LEU 40 -10.697 -8.100 -0.580 319 HD12 LEU 40 2HD1 LEU 40 -10.151 -6.735 -1.564 320 HD13 LEU 40 3HD1 LEU 40 -10.545 -6.502 0.141 321 HD21 LEU 40 1HD2 LEU 40 -8.029 -8.204 -2.120 322 HD22 LEU 40 2HD2 LEU 40 -8.683 -9.458 -1.060 323 HD23 LEU 40 3HD2 LEU 40 -7.071 -8.815 -0.769 324 H ASP 41 H ASP 41 -9.260 -6.567 2.847 325 HA ASP 41 HA ASP 41 -11.673 -5.255 2.060 326 HB2 ASP 41 2HB ASP 41 -11.566 -7.644 2.792 327 HB3 ASP 41 3HB ASP 41 -11.159 -7.125 4.426 328 H GLN 42 H GLN 42 -9.363 -4.795 4.662 329 HA GLN 42 HA GLN 42 -10.985 -2.806 6.048 330 HB2 GLN 42 2HB GLN 42 -9.022 -2.514 7.504 331 HB3 GLN 42 3HB GLN 42 -9.434 -4.217 7.342 332 HG2 GLN 42 2HG GLN 42 -7.601 -4.495 5.705 333 HG3 GLN 42 3HG GLN 42 -7.193 -2.790 5.880 334 HE21 GLN 42 1HE2 GLN 42 -5.117 -3.259 6.542 335 HE22 GLN 42 2HE2 GLN 42 -4.748 -3.931 8.089 336 H VAL 43 H VAL 43 -8.392 -2.872 3.655 337 HA VAL 43 HA VAL 43 -7.596 -0.157 3.766 338 HB VAL 43 HB VAL 43 -7.352 -2.233 1.538 339 HG11 VAL 43 1HG1 VAL 43 -5.729 -0.719 0.409 340 HG12 VAL 43 2HG1 VAL 43 -6.124 0.552 1.571 341 HG13 VAL 43 3HG1 VAL 43 -7.353 -0.028 0.446 342 HG21 VAL 43 1HG2 VAL 43 -5.260 -1.067 3.417 343 HG22 VAL 43 2HG2 VAL 43 -4.970 -2.306 2.192 344 HG23 VAL 43 3HG2 VAL 43 -6.007 -2.655 3.578 345 H ARG 44 H ARG 44 -10.123 -1.832 1.894 346 HA ARG 44 HA ARG 44 -10.816 0.371 0.219 347 HB2 ARG 44 2HB ARG 44 -12.826 -0.881 -0.392 348 HB3 ARG 44 3HB ARG 44 -11.424 -1.945 -0.406 349 HG2 ARG 44 2HG ARG 44 -12.094 -3.014 1.627 350 HG3 ARG 44 3HG ARG 44 -13.325 -1.793 1.949 351 HD2 ARG 44 2HD ARG 44 -14.294 -3.919 1.144 352 HD3 ARG 44 3HD ARG 44 -14.653 -2.566 0.075 353 HE ARG 44 HE ARG 44 -12.966 -3.417 -1.458 354 HH11 ARG 44 1HH1 ARG 44 -14.129 -5.714 0.962 355 HH12 ARG 44 2HH1 ARG 44 -13.676 -7.092 0.017 356 HH21 ARG 44 1HH2 ARG 44 -12.391 -5.245 -2.650 357 HH22 ARG 44 2HH2 ARG 44 -12.697 -6.827 -2.016 358 H GLU 45 H GLU 45 -11.669 -0.445 3.510 359 HA GLU 45 HA GLU 45 -14.023 1.242 3.694 360 HB2 GLU 45 2HB GLU 45 -12.339 -0.065 5.881 361 HB3 GLU 45 3HB GLU 45 -13.914 0.699 6.123 362 HG2 GLU 45 2HG GLU 45 -14.976 -0.989 4.679 363 HG3 GLU 45 3HG GLU 45 -13.407 -1.741 4.378 364 H HIS 46 H HIS 46 -10.676 1.356 4.884 365 HA HIS 46 HA HIS 46 -10.649 3.930 6.047 366 HB2 HIS 46 2HB HIS 46 -8.957 2.127 6.441 367 HB3 HIS 46 3HB HIS 46 -8.368 2.326 4.798 368 HD1 HIS 46 HD1 HIS 46 -6.028 2.935 5.525 369 HD2 HIS 46 HD2 HIS 46 -8.903 5.454 7.140 370 HE1 HIS 46 HE1 HIS 46 -4.752 4.779 6.626 371 HE2 HIS 46 HE2 HIS 46 -6.514 6.356 7.470 372 H ALA 47 H ALA 47 -10.359 2.816 2.798 373 HA ALA 47 HA ALA 47 -9.159 4.982 1.477 374 HB1 ALA 47 1HB ALA 47 -11.103 2.881 0.482 375 HB2 ALA 47 2HB ALA 47 -9.341 2.747 0.523 376 HB3 ALA 47 3HB ALA 47 -10.114 3.926 -0.537 377 H ARG 48 H ARG 48 -12.506 4.327 2.391 378 HA ARG 48 HA ARG 48 -13.816 6.089 0.590 379 HB2 ARG 48 2HB ARG 48 -14.788 5.060 3.294 380 HB3 ARG 48 3HB ARG 48 -15.809 5.742 2.025 381 HG2 ARG 48 2HG ARG 48 -15.398 3.878 0.570 382 HG3 ARG 48 3HG ARG 48 -14.112 3.268 1.611 383 HD2 ARG 48 2HD ARG 48 -15.867 2.924 3.407 384 HD3 ARG 48 3HD ARG 48 -17.089 3.291 2.179 385 HE ARG 48 HE ARG 48 -15.545 1.333 1.042 386 HH11 ARG 48 1HH1 ARG 48 -17.399 1.546 4.026 387 HH12 ARG 48 2HH1 ARG 48 -17.726 -0.153 4.085 388 HH21 ARG 48 1HH2 ARG 48 -15.964 -0.892 1.139 389 HH22 ARG 48 2HH2 ARG 48 -16.907 -1.539 2.442 390 H GLU 49 H GLU 49 -12.289 6.563 3.676 391 HA GLU 49 HA GLU 49 -13.468 9.084 4.371 392 HB2 GLU 49 2HB GLU 49 -10.873 7.801 5.339 393 HB3 GLU 49 3HB GLU 49 -11.707 9.154 6.109 394 HG2 GLU 49 2HG GLU 49 -13.634 7.707 6.608 395 HG3 GLU 49 3HG GLU 49 -12.847 6.355 5.791 396 H LEU 50 H LEU 50 -10.347 8.057 2.973 397 HA LEU 50 HA LEU 50 -9.259 10.663 2.568 398 HB2 LEU 50 2HB LEU 50 -8.508 8.086 1.122 399 HB3 LEU 50 3HB LEU 50 -7.514 9.531 1.275 400 HG LEU 50 HG LEU 50 -8.290 7.626 3.524 401 HD11 LEU 50 1HD1 LEU 50 -5.902 7.117 3.633 402 HD12 LEU 50 2HD1 LEU 50 -5.599 8.177 2.253 403 HD13 LEU 50 3HD1 LEU 50 -6.580 6.721 2.056 404 HD21 LEU 50 1HD2 LEU 50 -6.836 8.971 4.990 405 HD22 LEU 50 2HD2 LEU 50 -8.219 9.895 4.419 406 HD23 LEU 50 3HD2 LEU 50 -6.629 10.165 3.701 407 H GLN 51 H GLN 51 -11.252 8.533 0.682 408 HA GLN 51 HA GLN 51 -11.239 9.804 -1.852 409 HB2 GLN 51 2HB GLN 51 -12.081 7.483 -1.456 410 HB3 GLN 51 3HB GLN 51 -13.391 8.124 -0.476 411 HG2 GLN 51 2HG GLN 51 -14.361 7.612 -2.576 412 HG3 GLN 51 3HG GLN 51 -14.192 9.366 -2.558 413 HE21 GLN 51 1HE2 GLN 51 -13.177 6.425 -4.021 414 HE22 GLN 51 2HE2 GLN 51 -12.233 7.113 -5.291 415 H LYS 52 H LYS 52 -13.351 10.034 0.996 416 HA LYS 52 HA LYS 52 -15.215 11.916 -0.014 417 HB2 LYS 52 2HB LYS 52 -15.560 10.330 1.924 418 HB3 LYS 52 3HB LYS 52 -14.500 11.346 2.895 419 HG2 LYS 52 2HG LYS 52 -16.108 13.224 2.686 420 HG3 LYS 52 3HG LYS 52 -17.143 12.218 1.669 421 HD2 LYS 52 2HD LYS 52 -18.018 12.270 3.950 422 HD3 LYS 52 3HD LYS 52 -17.471 10.639 3.556 423 HE2 LYS 52 2HE LYS 52 -16.814 11.286 5.844 424 HE3 LYS 52 3HE LYS 52 -15.386 11.030 4.837 425 HZ1 LYS 52 1HZ LYS 52 -16.595 13.673 5.451 426 HZ2 LYS 52 2HZ LYS 52 -15.188 13.404 4.556 427 HZ3 LYS 52 3HZ LYS 52 -15.227 13.030 6.202 428 H GLN 53 H GLN 53 -12.142 12.239 1.662 429 HA GLN 53 HA GLN 53 -12.265 15.115 1.992 430 HB2 GLN 53 2HB GLN 53 -9.929 13.171 2.240 431 HB3 GLN 53 3HB GLN 53 -9.863 14.878 2.678 432 HG2 GLN 53 2HG GLN 53 -11.479 14.533 4.460 433 HG3 GLN 53 3HG GLN 53 -11.711 12.852 3.977 434 HE21 GLN 53 1HE2 GLN 53 -10.001 11.359 4.338 435 HE22 GLN 53 2HE2 GLN 53 -8.769 11.669 5.509 436 H GLY 54 H GLY 54 -11.228 12.877 -0.481 437 HA2 GLY 54 2HA GLY 54 -10.542 13.177 -2.640 438 HA3 GLY 54 3HA GLY 54 -10.911 14.886 -2.473 439 H ILE 55 H ILE 55 -8.599 12.905 -0.657 440 HA ILE 55 HA ILE 55 -6.492 14.848 -0.912 441 HB ILE 55 HB ILE 55 -6.386 12.006 0.223 442 HG12 ILE 55 2HG1 ILE 55 -6.734 14.652 1.708 443 HG13 ILE 55 3HG1 ILE 55 -8.052 13.550 1.329 444 HG21 ILE 55 1HG2 ILE 55 -4.341 12.767 1.424 445 HG22 ILE 55 2HG2 ILE 55 -4.427 14.316 0.584 446 HG23 ILE 55 3HG2 ILE 55 -4.126 12.833 -0.327 447 HD11 ILE 55 1HD1 ILE 55 -5.708 12.952 3.121 448 HD12 ILE 55 2HD1 ILE 55 -7.018 11.836 2.724 449 HD13 ILE 55 3HD1 ILE 55 -7.361 13.316 3.616 450 H HIS 56 H HIS 56 -5.431 15.056 -2.817 451 HA HIS 56 HA HIS 56 -5.053 12.760 -4.623 452 HB2 HIS 56 2HB HIS 56 -4.437 15.726 -5.055 453 HB3 HIS 56 3HB HIS 56 -4.433 14.469 -6.294 454 HD1 HIS 56 HD1 HIS 56 -6.495 17.089 -5.119 455 HD2 HIS 56 HD2 HIS 56 -7.193 13.203 -6.355 456 HE1 HIS 56 HE1 HIS 56 -8.939 16.990 -5.676 457 HE2 HIS 56 HE2 HIS 56 -9.297 14.661 -6.560 458 H PHE 57 H PHE 57 -3.296 11.598 -4.087 459 HA PHE 57 HA PHE 57 -0.775 12.957 -3.308 460 HB2 PHE 57 2HB PHE 57 -0.223 10.605 -2.311 461 HB3 PHE 57 3HB PHE 57 -1.351 11.638 -1.450 462 HD1 PHE 57 HD1 PHE 57 -1.168 8.670 -3.725 463 HD2 PHE 57 HD2 PHE 57 -3.574 10.919 -0.983 464 HE1 PHE 57 HE1 PHE 57 -2.858 6.883 -3.726 465 HE2 PHE 57 HE2 PHE 57 -5.252 9.118 -0.994 466 HZ PHE 57 HZ PHE 57 -4.893 7.103 -2.362 467 H GLU 58 H GLU 58 1.101 12.407 -4.352 468 HA GLU 58 HA GLU 58 0.936 10.505 -6.615 469 HB2 GLU 58 2HB GLU 58 0.742 12.832 -7.476 470 HB3 GLU 58 3HB GLU 58 2.253 13.262 -6.685 471 HG2 GLU 58 2HG GLU 58 2.552 12.870 -9.111 472 HG3 GLU 58 3HG GLU 58 3.500 11.736 -8.143 473 H VAL 59 H VAL 59 2.511 9.079 -6.642 474 HA VAL 59 HA VAL 59 4.558 8.981 -4.643 475 HB VAL 59 HB VAL 59 4.111 7.257 -7.128 476 HG11 VAL 59 1HG1 VAL 59 5.622 5.589 -6.071 477 HG12 VAL 59 2HG1 VAL 59 5.982 6.737 -4.781 478 HG13 VAL 59 3HG1 VAL 59 6.468 7.093 -6.438 479 HG21 VAL 59 1HG2 VAL 59 2.252 7.120 -5.514 480 HG22 VAL 59 2HG2 VAL 59 3.385 6.723 -4.219 481 HG23 VAL 59 3HG2 VAL 59 3.151 5.602 -5.562 482 H LYS 60 H LYS 60 6.040 10.541 -4.786 483 HA LYS 60 HA LYS 60 7.287 11.366 -7.309 484 HB2 LYS 60 2HB LYS 60 7.759 12.395 -4.471 485 HB3 LYS 60 3HB LYS 60 8.324 13.148 -5.959 486 HG2 LYS 60 2HG LYS 60 5.426 12.852 -5.099 487 HG3 LYS 60 3HG LYS 60 6.382 14.332 -5.022 488 HD2 LYS 60 2HD LYS 60 5.709 12.855 -7.600 489 HD3 LYS 60 3HD LYS 60 4.791 14.219 -6.961 490 HE2 LYS 60 2HE LYS 60 7.736 14.339 -7.705 491 HE3 LYS 60 3HE LYS 60 6.411 14.869 -8.740 492 HZ1 LYS 60 1HZ LYS 60 7.002 15.995 -6.049 493 HZ2 LYS 60 2HZ LYS 60 5.808 16.524 -7.124 494 HZ3 LYS 60 3HZ LYS 60 7.442 16.705 -7.525 495 H ARG 61 H ARG 61 7.949 9.490 -4.463 496 HA ARG 61 HA ARG 61 10.393 8.416 -5.670 497 HB2 ARG 61 2HB ARG 61 11.127 10.234 -4.081 498 HB3 ARG 61 3HB ARG 61 10.273 9.423 -2.778 499 HG2 ARG 61 2HG ARG 61 12.654 8.951 -2.614 500 HG3 ARG 61 3HG ARG 61 11.787 7.466 -3.013 501 HD2 ARG 61 2HD ARG 61 13.890 7.713 -4.310 502 HD3 ARG 61 3HD ARG 61 12.465 7.660 -5.357 503 HE ARG 61 HE ARG 61 13.744 10.216 -4.569 504 HH11 ARG 61 1HH1 ARG 61 12.550 8.098 -7.125 505 HH12 ARG 61 2HH1 ARG 61 12.787 9.275 -8.371 506 HH21 ARG 61 1HH2 ARG 61 13.986 11.765 -6.204 507 HH22 ARG 61 2HH2 ARG 61 13.605 11.355 -7.846 508 H VAL 62 H VAL 62 10.687 6.260 -5.125 509 HA VAL 62 HA VAL 62 9.179 5.025 -2.967 510 HB VAL 62 HB VAL 62 7.555 4.751 -4.740 511 HG11 VAL 62 1HG1 VAL 62 8.020 3.652 -6.899 512 HG12 VAL 62 2HG1 VAL 62 9.735 3.568 -6.486 513 HG13 VAL 62 3HG1 VAL 62 8.956 5.136 -6.703 514 HG21 VAL 62 1HG2 VAL 62 9.034 2.123 -4.330 515 HG22 VAL 62 2HG2 VAL 62 7.365 2.278 -4.887 516 HG23 VAL 62 3HG2 VAL 62 7.808 2.813 -3.264 517 H GLU 63 H GLU 63 10.602 3.891 -1.892 518 HA GLU 63 HA GLU 63 12.853 2.502 -3.236 519 HB2 GLU 63 2HB GLU 63 12.810 3.856 -0.491 520 HB3 GLU 63 3HB GLU 63 14.148 2.880 -1.102 521 HG2 GLU 63 2HG GLU 63 14.489 4.499 -2.938 522 HG3 GLU 63 3HG GLU 63 13.147 5.473 -2.330 523 H VAL 64 H VAL 64 12.156 0.473 -3.269 524 HA VAL 64 HA VAL 64 10.821 -0.752 -0.939 525 HB VAL 64 HB VAL 64 11.140 -1.742 -3.832 526 HG11 VAL 64 1HG1 VAL 64 9.540 -3.531 -3.231 527 HG12 VAL 64 2HG1 VAL 64 9.553 -2.986 -1.552 528 HG13 VAL 64 3HG1 VAL 64 11.019 -3.654 -2.274 529 HG21 VAL 64 1HG2 VAL 64 8.708 -0.646 -2.382 530 HG22 VAL 64 2HG2 VAL 64 8.737 -1.266 -4.030 531 HG23 VAL 64 3HG2 VAL 64 9.634 0.196 -3.628 532 H THR 65 H THR 65 12.237 -1.613 0.478 533 HA THR 65 HA THR 65 14.777 -2.785 -0.512 534 HB THR 65 HB THR 65 15.347 -0.620 0.435 535 HG1 THR 65 HG1 THR 65 16.755 -2.370 0.899 536 HG21 THR 65 1HG2 THR 65 14.916 0.016 2.779 537 HG22 THR 65 2HG2 THR 65 13.994 -1.468 3.029 538 HG23 THR 65 3HG2 THR 65 13.393 -0.234 1.919 539 H THR 66 H THR 66 15.094 -4.781 0.142 540 HA THR 66 HA THR 66 13.212 -6.028 1.973 541 HB THR 66 HB THR 66 15.443 -7.511 0.556 542 HG1 THR 66 HG1 THR 66 14.079 -7.628 -1.289 543 HG21 THR 66 1HG2 THR 66 13.986 -8.788 2.076 544 HG22 THR 66 2HG2 THR 66 13.704 -9.274 0.401 545 HG23 THR 66 3HG2 THR 66 12.563 -8.200 1.208 546 H ASP 67 H ASP 67 13.728 -6.061 4.021 547 HA ASP 67 HA ASP 67 16.516 -5.941 5.001 548 HB2 ASP 67 2HB ASP 67 15.059 -3.949 5.509 549 HB3 ASP 67 3HB ASP 67 13.929 -5.005 6.351 550 H GLY 68 H GLY 68 16.879 -8.124 5.047 551 HA2 GLY 68 2HA GLY 68 16.978 -10.235 5.887 552 HA3 GLY 68 3HA GLY 68 15.930 -9.714 7.202 553 H ASN 69 H ASN 69 13.910 -10.499 7.231 554 HA ASN 69 HA ASN 69 12.792 -11.824 4.810 555 HB2 ASN 69 2HB ASN 69 12.309 -12.441 7.760 556 HB3 ASN 69 3HB ASN 69 11.472 -13.228 6.426 557 HD21 ASN 69 1HD2 ASN 69 13.067 -14.471 8.469 558 HD22 ASN 69 2HD2 ASN 69 14.367 -15.287 7.673 559 H THR 70 H THR 70 12.619 -8.957 5.774 560 HA THR 70 HA THR 70 9.676 -8.706 5.546 561 HB THR 70 HB THR 70 11.437 -7.030 7.396 562 HG1 THR 70 HG1 THR 70 10.136 -9.382 7.797 563 HG21 THR 70 1HG2 THR 70 9.579 -5.718 6.451 564 HG22 THR 70 2HG2 THR 70 9.301 -6.047 8.161 565 HG23 THR 70 3HG2 THR 70 8.433 -6.972 6.937 566 H VAL 71 H VAL 71 9.209 -7.546 3.754 567 HA VAL 71 HA VAL 71 11.196 -5.823 2.476 568 HB VAL 71 HB VAL 71 8.341 -6.394 1.548 569 HG11 VAL 71 1HG1 VAL 71 9.334 -4.390 0.530 570 HG12 VAL 71 2HG1 VAL 71 9.188 -5.674 -0.673 571 HG13 VAL 71 3HG1 VAL 71 10.760 -5.314 0.046 572 HG21 VAL 71 1HG2 VAL 71 9.586 -8.515 1.730 573 HG22 VAL 71 2HG2 VAL 71 10.883 -7.842 0.741 574 HG23 VAL 71 3HG2 VAL 71 9.284 -8.098 0.041 575 H ASN 72 H ASN 72 11.341 -3.822 3.226 576 HA ASN 72 HA ASN 72 9.032 -2.376 4.367 577 HB2 ASN 72 2HB ASN 72 12.031 -1.792 4.481 578 HB3 ASN 72 3HB ASN 72 10.789 -0.785 5.225 579 HD21 ASN 72 1HD2 ASN 72 12.356 -3.944 5.334 580 HD22 ASN 72 2HD2 ASN 72 11.889 -4.325 6.952 581 H VAL 73 H VAL 73 7.908 -1.440 2.724 582 HA VAL 73 HA VAL 73 9.248 -0.142 0.467 583 HB VAL 73 HB VAL 73 6.260 -0.400 1.097 584 HG11 VAL 73 1HG1 VAL 73 7.635 0.552 -1.452 585 HG12 VAL 73 2HG1 VAL 73 6.669 1.542 -0.355 586 HG13 VAL 73 3HG1 VAL 73 5.903 0.252 -1.285 587 HG21 VAL 73 1HG2 VAL 73 6.242 -2.169 -0.639 588 HG22 VAL 73 2HG2 VAL 73 7.311 -2.594 0.699 589 HG23 VAL 73 3HG2 VAL 73 7.992 -2.008 -0.821 590 H THR 74 H THR 74 10.155 1.730 1.086 591 HA THR 74 HA THR 74 8.725 3.702 2.743 592 HB THR 74 HB THR 74 11.596 3.698 1.702 593 HG1 THR 74 HG1 THR 74 10.485 2.160 3.529 594 HG21 THR 74 1HG2 THR 74 10.307 5.358 3.914 595 HG22 THR 74 2HG2 THR 74 10.807 5.969 2.334 596 HG23 THR 74 3HG2 THR 74 12.014 5.376 3.477 597 H VAL 75 H VAL 75 7.376 4.875 1.489 598 HA VAL 75 HA VAL 75 8.205 5.707 -1.228 599 HB VAL 75 HB VAL 75 6.691 3.866 -1.536 600 HG11 VAL 75 1HG1 VAL 75 5.673 3.757 0.686 601 HG12 VAL 75 2HG1 VAL 75 4.440 3.702 -0.573 602 HG13 VAL 75 3HG1 VAL 75 4.707 5.193 0.333 603 HG21 VAL 75 1HG2 VAL 75 6.335 5.716 -3.089 604 HG22 VAL 75 2HG2 VAL 75 5.145 6.435 -2.003 605 HG23 VAL 75 3HG2 VAL 75 4.811 4.883 -2.774 606 H GLU 76 H GLU 76 7.995 7.770 -1.630 607 HA GLU 76 HA GLU 76 6.935 9.652 0.335 608 HB2 GLU 76 2HB GLU 76 9.248 9.882 -0.606 609 HB3 GLU 76 3HB GLU 76 8.565 10.046 -2.216 610 HG2 GLU 76 2HG GLU 76 9.108 12.239 -1.536 611 HG3 GLU 76 3HG GLU 76 7.358 12.122 -1.373 612 H LEU 77 H LEU 77 4.802 10.126 0.060 613 HA LEU 77 HA LEU 77 3.689 10.486 -2.672 614 HB2 LEU 77 2HB LEU 77 2.187 10.013 -0.056 615 HB3 LEU 77 3HB LEU 77 1.446 10.282 -1.624 616 HG LEU 77 HG LEU 77 2.652 8.094 -2.375 617 HD11 LEU 77 1HD1 LEU 77 4.205 7.889 -0.498 618 HD12 LEU 77 2HD1 LEU 77 3.169 6.472 -0.644 619 HD13 LEU 77 3HD1 LEU 77 2.848 7.670 0.608 620 HD21 LEU 77 1HD2 LEU 77 0.837 6.689 -1.513 621 HD22 LEU 77 2HD2 LEU 77 0.233 8.251 -2.055 622 HD23 LEU 77 3HD2 LEU 77 0.418 7.933 -0.329 623 H GLU 78 H GLU 78 3.531 12.568 -3.253 624 HA GLU 78 HA GLU 78 3.533 14.721 -1.277 625 HB2 GLU 78 2HB GLU 78 4.904 14.675 -3.481 626 HB3 GLU 78 3HB GLU 78 3.389 15.008 -4.310 627 HG2 GLU 78 2HG GLU 78 3.182 17.141 -3.146 628 HG3 GLU 78 3HG GLU 78 4.610 16.782 -2.174 629 H GLU 79 H GLU 79 1.601 14.961 -0.364 630 HA GLU 79 HA GLU 79 -0.891 14.275 -1.723 631 HB2 GLU 79 2HB GLU 79 -0.468 15.016 1.209 632 HB3 GLU 79 3HB GLU 79 -1.891 14.259 0.493 633 HG2 GLU 79 2HG GLU 79 -0.391 12.294 -0.119 634 HG3 GLU 79 3HG GLU 79 0.854 13.031 0.889 635 H THR 80 H THR 80 -2.522 15.666 -2.090 636 HA THR 80 HA THR 80 -2.206 18.534 -1.464 637 HB THR 80 HB THR 80 -3.430 17.411 -4.040 638 HG1 THR 80 HG1 THR 80 -1.081 17.080 -3.802 639 HG21 THR 80 1HG2 THR 80 -2.577 20.249 -3.291 640 HG22 THR 80 2HG2 THR 80 -4.244 19.679 -3.391 641 HG23 THR 80 3HG2 THR 80 -3.246 19.753 -4.846 642 H THR 81 H THR 81 -3.733 18.939 0.005 643 HA THR 81 HA THR 81 -6.502 17.981 -0.390 644 HB THR 81 HB THR 81 -5.580 16.547 1.351 645 HG1 THR 81 HG1 THR 81 -7.742 17.490 1.592 646 HG21 THR 81 1HG2 THR 81 -3.697 17.931 2.144 647 HG22 THR 81 2HG2 THR 81 -4.703 17.407 3.495 648 HG23 THR 81 3HG2 THR 81 -4.832 19.060 2.891 649 H GLY 82 H GLY 82 -8.005 19.577 -0.166 650 HA2 GLY 82 2HA GLY 82 -8.908 21.683 0.019 651 HA3 GLY 82 3HA GLY 82 -7.631 22.092 1.156 652 H GLY 83 H GLY 83 -5.572 22.726 0.307 653 HA2 GLY 83 2HA GLY 83 -5.096 23.040 -2.536 654 HA3 GLY 83 3HA GLY 83 -5.284 24.563 -1.671 655 H THR 84 H THR 84 -4.011 22.110 0.276 656 HA THR 84 HA THR 84 -1.346 23.369 0.275 657 HB THR 84 HB THR 84 -1.108 22.256 2.508 658 HG1 THR 84 HG1 THR 84 -2.488 20.467 2.166 659 HG21 THR 84 1HG2 THR 84 -2.787 23.593 3.752 660 HG22 THR 84 2HG2 THR 84 -3.677 23.870 2.252 661 HG23 THR 84 3HG2 THR 84 -2.056 24.535 2.450 662 H THR 85 H THR 85 0.371 22.259 -0.508 663 HA THR 85 HA THR 85 0.115 19.377 -1.163 664 HB THR 85 HB THR 85 1.725 21.510 -2.652 665 HG1 THR 85 HG1 THR 85 -0.655 20.156 -3.450 666 HG21 THR 85 1HG2 THR 85 1.175 18.598 -3.366 667 HG22 THR 85 2HG2 THR 85 2.740 19.275 -2.898 668 HG23 THR 85 3HG2 THR 85 1.975 19.776 -4.407 669 H THR 86 H THR 86 1.278 18.260 0.308 670 HA THR 86 HA THR 86 4.022 19.109 1.048 671 HB THR 86 HB THR 86 1.892 18.011 2.957 672 HG1 THR 86 HG1 THR 86 3.208 20.542 2.810 673 HG21 THR 86 1HG2 THR 86 4.112 17.109 3.568 674 HG22 THR 86 2HG2 THR 86 3.578 18.300 4.753 675 HG23 THR 86 3HG2 THR 86 4.789 18.744 3.552 676 H ASN 87 H ASN 87 5.518 17.474 1.038 677 HA ASN 87 HA ASN 87 4.837 14.826 0.103 678 HB2 ASN 87 2HB ASN 87 7.455 16.114 0.976 679 HB3 ASN 87 3HB ASN 87 7.353 14.424 0.513 680 HD21 ASN 87 1HD2 ASN 87 6.838 13.905 -1.679 681 HD22 ASN 87 2HD2 ASN 87 7.088 15.057 -2.942 682 H THR 88 H THR 88 4.025 13.359 1.419 683 HA THR 88 HA THR 88 4.874 13.131 4.241 684 HB THR 88 HB THR 88 2.245 12.132 3.045 685 HG1 THR 88 HG1 THR 88 1.557 14.080 3.214 686 HG21 THR 88 1HG2 THR 88 1.505 11.988 5.388 687 HG22 THR 88 2HG2 THR 88 3.086 12.548 5.939 688 HG23 THR 88 3HG2 THR 88 2.936 10.986 5.129 689 H THR 89 H THR 89 6.071 11.352 4.631 690 HA THR 89 HA THR 89 6.403 9.343 2.543 691 HB THR 89 HB THR 89 7.894 9.574 5.196 692 HG1 THR 89 HG1 THR 89 8.011 11.130 2.964 693 HG21 THR 89 1HG2 THR 89 9.643 8.261 4.056 694 HG22 THR 89 2HG2 THR 89 8.673 8.195 2.586 695 HG23 THR 89 3HG2 THR 89 8.121 7.364 4.045 696 H TYR 90 H TYR 90 5.238 7.485 2.613 697 HA TYR 90 HA TYR 90 4.286 6.411 5.204 698 HB2 TYR 90 2HB TYR 90 3.337 5.906 2.343 699 HB3 TYR 90 3HB TYR 90 2.763 4.989 3.733 700 HD1 TYR 90 HD1 TYR 90 1.048 5.872 5.165 701 HD2 TYR 90 HD2 TYR 90 2.860 8.422 2.248 702 HE1 TYR 90 HE1 TYR 90 -0.653 7.596 5.602 703 HE2 TYR 90 HE2 TYR 90 1.166 10.132 2.678 704 HH TYR 90 HH TYR 90 -1.061 10.342 3.586 705 H GLU 91 H GLU 91 5.355 4.674 5.999 706 HA GLU 91 HA GLU 91 7.025 3.000 4.208 707 HB2 GLU 91 2HB GLU 91 7.122 3.341 7.243 708 HB3 GLU 91 3HB GLU 91 8.192 2.297 6.304 709 HG2 GLU 91 2HG GLU 91 9.143 4.270 5.174 710 HG3 GLU 91 3HG GLU 91 8.042 5.326 6.067 711 H LEU 92 H LEU 92 5.675 1.442 3.504 712 HA LEU 92 HA LEU 92 3.816 0.076 5.324 713 HB2 LEU 92 2HB LEU 92 4.179 -0.169 2.303 714 HB3 LEU 92 3HB LEU 92 3.005 -1.062 3.255 715 HG LEU 92 HG LEU 92 2.026 1.241 3.928 716 HD11 LEU 92 1HD1 LEU 92 2.377 3.106 2.390 717 HD12 LEU 92 2HD1 LEU 92 3.631 2.190 1.547 718 HD13 LEU 92 3HD1 LEU 92 3.864 2.672 3.230 719 HD21 LEU 92 1HD2 LEU 92 0.870 -0.282 2.411 720 HD22 LEU 92 2HD2 LEU 92 1.771 0.373 1.041 721 HD23 LEU 92 3HD2 LEU 92 0.638 1.397 1.928 722 H ARG 93 H ARG 93 4.782 -1.434 6.472 723 HA ARG 93 HA ARG 93 7.170 -2.855 5.566 724 HB2 ARG 93 2HB ARG 93 7.254 -1.767 7.754 725 HB3 ARG 93 3HB ARG 93 5.785 -2.586 8.270 726 HG2 ARG 93 2HG ARG 93 6.947 -4.744 8.243 727 HG3 ARG 93 3HG ARG 93 8.410 -3.960 7.644 728 HD2 ARG 93 2HD ARG 93 7.107 -3.368 10.315 729 HD3 ARG 93 3HD ARG 93 8.477 -4.459 10.078 730 HE ARG 93 HE ARG 93 9.055 -1.919 8.970 731 HH11 ARG 93 1HH1 ARG 93 8.799 -3.534 12.095 732 HH12 ARG 93 2HH1 ARG 93 9.905 -2.444 12.863 733 HH21 ARG 93 1HH2 ARG 93 10.481 -0.522 10.018 734 HH22 ARG 93 2HH2 ARG 93 10.851 -0.746 11.696 735 H PHE 94 H PHE 94 6.515 -4.487 4.244 736 HA PHE 94 HA PHE 94 4.302 -6.275 4.917 737 HB2 PHE 94 2HB PHE 94 6.167 -6.132 2.502 738 HB3 PHE 94 3HB PHE 94 4.840 -7.276 2.662 739 HD1 PHE 94 HD1 PHE 94 5.721 -3.734 2.076 740 HD2 PHE 94 HD2 PHE 94 2.507 -6.544 2.418 741 HE1 PHE 94 HE1 PHE 94 4.182 -2.108 1.069 742 HE2 PHE 94 HE2 PHE 94 0.980 -4.902 1.414 743 HZ PHE 94 HZ PHE 94 1.814 -2.685 0.737 744 H GLU 95 H GLU 95 4.815 -7.819 6.410 745 HA GLU 95 HA GLU 95 7.448 -9.085 6.497 746 HB2 GLU 95 2HB GLU 95 6.334 -8.572 8.629 747 HB3 GLU 95 3HB GLU 95 4.934 -9.535 8.163 748 HG2 GLU 95 2HG GLU 95 6.394 -11.572 8.131 749 HG3 GLU 95 3HG GLU 95 7.738 -10.581 8.707 750 H VAL 96 H VAL 96 7.880 -11.119 5.750 751 HA VAL 96 HA VAL 96 6.007 -12.249 3.819 752 HB VAL 96 HB VAL 96 7.817 -13.389 2.831 753 HG11 VAL 96 1HG1 VAL 96 9.642 -11.746 2.584 754 HG12 VAL 96 2HG1 VAL 96 9.073 -10.884 4.016 755 HG13 VAL 96 3HG1 VAL 96 8.061 -10.961 2.573 756 HG21 VAL 96 1HG2 VAL 96 8.704 -14.619 4.750 757 HG22 VAL 96 2HG2 VAL 96 9.424 -13.149 5.409 758 HG23 VAL 96 3HG2 VAL 96 10.030 -13.830 3.897 759 H ASP 97 H ASP 97 5.257 -14.386 3.857 760 HA ASP 97 HA ASP 97 5.957 -16.258 5.958 761 HB2 ASP 97 2HB ASP 97 4.147 -14.919 7.026 762 HB3 ASP 97 3HB ASP 97 3.091 -15.242 5.657 763 H GLY 98 H GLY 98 6.545 -17.848 4.573 764 HA2 GLY 98 2HA GLY 98 6.299 -19.615 3.118 765 HA3 GLY 98 3HA GLY 98 4.608 -19.178 2.899 766 H ASP 99 H ASP 99 4.145 -18.614 0.863 767 HA ASP 99 HA ASP 99 6.114 -17.092 -0.777 768 HB2 ASP 99 2HB ASP 99 5.207 -18.127 -2.760 769 HB3 ASP 99 3HB ASP 99 5.577 -19.414 -1.620 770 H THR 100 H THR 100 3.937 -16.296 1.187 771 HA THR 100 HA THR 100 2.669 -14.207 -0.477 772 HB THR 100 HB THR 100 0.935 -15.977 -0.200 773 HG1 THR 100 HG1 THR 100 -0.592 -14.534 0.256 774 HG21 THR 100 1HG2 THR 100 1.721 -16.995 1.912 775 HG22 THR 100 2HG2 THR 100 0.020 -16.537 2.012 776 HG23 THR 100 3HG2 THR 100 1.245 -15.537 2.796 777 H ILE 101 H ILE 101 1.736 -12.496 0.995 778 HA ILE 101 HA ILE 101 3.489 -11.993 3.337 779 HB ILE 101 HB ILE 101 1.944 -10.007 1.603 780 HG12 ILE 101 2HG1 ILE 101 4.962 -10.469 1.667 781 HG13 ILE 101 3HG1 ILE 101 3.891 -11.128 0.435 782 HG21 ILE 101 1HG2 ILE 101 3.180 -8.250 2.805 783 HG22 ILE 101 2HG2 ILE 101 3.954 -9.468 3.818 784 HG23 ILE 101 3HG2 ILE 101 2.210 -9.214 3.920 785 HD11 ILE 101 1HD1 ILE 101 4.375 -8.194 0.956 786 HD12 ILE 101 2HD1 ILE 101 3.304 -8.867 -0.277 787 HD13 ILE 101 3HD1 ILE 101 5.040 -9.158 -0.362 788 H ARG 102 H ARG 102 2.510 -11.865 5.307 789 HA ARG 102 HA ARG 102 -0.461 -11.997 5.443 790 HB2 ARG 102 2HB ARG 102 1.631 -13.358 7.189 791 HB3 ARG 102 3HB ARG 102 -0.094 -13.358 7.545 792 HG2 ARG 102 2HG ARG 102 1.205 -14.566 5.082 793 HG3 ARG 102 3HG ARG 102 0.622 -15.458 6.494 794 HD2 ARG 102 2HD ARG 102 -1.678 -14.576 6.024 795 HD3 ARG 102 3HD ARG 102 -1.039 -13.828 4.553 796 HE ARG 102 HE ARG 102 -0.479 -16.628 4.677 797 HH11 ARG 102 1HH1 ARG 102 -3.003 -14.305 3.862 798 HH12 ARG 102 2HH1 ARG 102 -3.809 -15.394 2.784 799 HH21 ARG 102 1HH2 ARG 102 -1.555 -18.032 3.281 800 HH22 ARG 102 2HH2 ARG 102 -2.992 -17.508 2.455 801 H ARG 103 H ARG 103 1.890 -9.816 5.972 802 HA ARG 103 HA ARG 103 0.279 -8.388 7.918 803 HB2 ARG 103 2HB ARG 103 1.853 -9.747 9.330 804 HB3 ARG 103 3HB ARG 103 3.213 -8.953 8.551 805 HG2 ARG 103 2HG ARG 103 2.575 -6.800 9.481 806 HG3 ARG 103 3HG ARG 103 1.065 -7.467 10.104 807 HD2 ARG 103 2HD ARG 103 2.652 -7.204 11.923 808 HD3 ARG 103 3HD ARG 103 2.354 -8.917 11.643 809 HE ARG 103 HE ARG 103 4.533 -9.189 10.988 810 HH11 ARG 103 1HH1 ARG 103 3.928 -5.723 11.347 811 HH12 ARG 103 2HH1 ARG 103 5.608 -5.317 11.263 812 HH21 ARG 103 1HH2 ARG 103 6.719 -8.623 10.968 813 HH22 ARG 103 2HH2 ARG 103 7.191 -6.956 11.052 814 H VAL 104 H VAL 104 0.261 -6.291 7.476 815 HA VAL 104 HA VAL 104 2.593 -4.978 6.228 816 HB VAL 104 HB VAL 104 0.979 -5.203 4.405 817 HG11 VAL 104 1HG1 VAL 104 -1.281 -4.246 4.449 818 HG12 VAL 104 2HG1 VAL 104 -1.073 -3.799 6.144 819 HG13 VAL 104 3HG1 VAL 104 -1.099 -5.500 5.678 820 HG21 VAL 104 1HG2 VAL 104 2.282 -3.110 4.483 821 HG22 VAL 104 2HG2 VAL 104 1.009 -2.331 5.426 822 HG23 VAL 104 3HG2 VAL 104 0.694 -2.830 3.762 823 H THR 105 H THR 105 3.243 -3.248 7.377 824 HA THR 105 HA THR 105 1.387 -1.988 9.327 825 HB THR 105 HB THR 105 4.443 -2.043 9.495 826 HG1 THR 105 HG1 THR 105 2.660 -3.650 11.022 827 HG21 THR 105 1HG2 THR 105 4.072 -1.392 11.843 828 HG22 THR 105 2HG2 THR 105 2.328 -1.378 11.580 829 HG23 THR 105 3HG2 THR 105 3.355 -0.201 10.753 830 H VAL 106 H VAL 106 0.651 -0.204 8.274 831 HA VAL 106 HA VAL 106 2.319 1.335 6.439 832 HB VAL 106 HB VAL 106 -0.580 1.846 7.277 833 HG11 VAL 106 1HG1 VAL 106 0.999 2.899 4.896 834 HG12 VAL 106 2HG1 VAL 106 0.519 3.834 6.314 835 HG13 VAL 106 3HG1 VAL 106 -0.711 3.210 5.214 836 HG21 VAL 106 1HG2 VAL 106 -1.250 0.725 5.173 837 HG22 VAL 106 2HG2 VAL 106 -0.385 -0.388 6.235 838 HG23 VAL 106 3HG2 VAL 106 0.436 0.321 4.843 839 H THR 107 H THR 107 3.515 3.002 7.158 840 HA THR 107 HA THR 107 2.958 4.139 9.842 841 HB THR 107 HB THR 107 5.723 3.829 8.579 842 HG1 THR 107 HG1 THR 107 4.926 1.741 8.792 843 HG21 THR 107 1HG2 THR 107 6.500 4.012 10.916 844 HG22 THR 107 2HG2 THR 107 4.832 4.174 11.467 845 HG23 THR 107 3HG2 THR 107 5.552 5.433 10.459 846 H GLN 108 H GLN 108 2.095 6.127 9.425 847 HA GLN 108 HA GLN 108 2.889 7.807 7.208 848 HB2 GLN 108 2HB GLN 108 0.560 7.814 8.086 849 HB3 GLN 108 3HB GLN 108 1.139 8.410 9.640 850 HG2 GLN 108 2HG GLN 108 1.969 10.472 8.463 851 HG3 GLN 108 3HG GLN 108 1.213 9.875 6.984 852 HE21 GLN 108 1HE2 GLN 108 0.663 12.323 8.479 853 HE22 GLN 108 2HE2 GLN 108 -1.015 12.262 8.877 854 H ASN 109 H ASN 109 4.586 9.182 7.237 855 HA ASN 109 HA ASN 109 5.940 9.904 9.782 856 HB2 ASN 109 2HB ASN 109 7.106 9.550 6.979 857 HB3 ASN 109 3HB ASN 109 8.013 10.124 8.375 858 HD21 ASN 109 1HD2 ASN 109 6.409 7.315 6.964 859 HD22 ASN 109 2HD2 ASN 109 7.220 6.150 7.948 860 H GLY 110 H GLY 110 6.546 12.036 10.074 861 HA2 GLY 110 2HA GLY 110 6.459 14.113 8.161 862 HA3 GLY 110 3HA GLY 110 4.920 14.063 9.022 863 H GLY 111 H GLY 111 4.874 15.537 10.613 864 HA2 GLY 111 2HA GLY 111 5.438 16.755 12.483 865 HA3 GLY 111 3HA GLY 111 6.794 15.662 12.736 866 H SER 112 H SER 112 8.802 16.365 12.257 867 HA SER 112 HA SER 112 9.214 18.800 10.613 868 HB2 SER 112 2HB SER 112 9.490 19.263 13.069 869 HB3 SER 112 3HB SER 112 10.782 18.065 13.119 870 HG SER 112 HG SER 112 10.720 20.588 11.867 871 H LEU 113 H LEU 113 9.508 15.643 10.536 872 HA LEU 113 HA LEU 113 10.782 14.056 9.644 873 HB2 LEU 113 2HB LEU 113 11.700 16.357 7.881 874 HB3 LEU 113 3HB LEU 113 12.140 14.688 7.579 875 HG LEU 113 HG LEU 113 10.343 15.155 6.087 876 HD11 LEU 113 1HD1 LEU 113 10.144 12.967 7.154 877 HD12 LEU 113 2HD1 LEU 113 8.567 13.618 6.723 878 HD13 LEU 113 3HD1 LEU 113 9.098 13.650 8.407 879 HD21 LEU 113 1HD2 LEU 113 8.717 16.295 8.381 880 HD22 LEU 113 2HD2 LEU 113 8.170 16.110 6.711 881 HD23 LEU 113 3HD2 LEU 113 9.490 17.215 7.087 882 H GLU 114 H GLU 114 11.711 14.200 11.866 883 HA GLU 114 HA GLU 114 14.392 15.060 12.291 884 HB2 GLU 114 2HB GLU 114 12.663 13.029 13.764 885 HB3 GLU 114 3HB GLU 114 14.246 13.553 14.329 886 HG2 GLU 114 2HG GLU 114 11.844 15.370 13.937 887 HG3 GLU 114 3HG GLU 114 12.370 14.697 15.479 888 H HIS 115 H HIS 115 15.486 14.232 10.396 889 HA HIS 115 HA HIS 115 16.556 11.515 10.795 890 HB2 HIS 115 2HB HIS 115 15.407 12.515 8.138 891 HB3 HIS 115 3HB HIS 115 16.447 11.102 8.280 892 HD1 HIS 115 HD1 HIS 115 15.428 8.973 9.363 893 HD2 HIS 115 HD2 HIS 115 12.731 12.105 8.950 894 HE1 HIS 115 HE1 HIS 115 13.171 7.976 9.757 895 HE2 HIS 115 HE2 HIS 115 11.582 9.923 9.686 896 H HIS 116 H HIS 116 18.621 11.228 9.923 897 HA HIS 116 HA HIS 116 19.968 13.265 8.363 898 HB2 HIS 116 2HB HIS 116 21.865 13.553 9.954 899 HB3 HIS 116 3HB HIS 116 20.360 14.130 10.661 900 HD1 HIS 116 HD1 HIS 116 22.783 11.222 10.877 901 HD2 HIS 116 HD2 HIS 116 19.676 12.898 13.065 902 HE1 HIS 116 HE1 HIS 116 22.750 9.981 13.055 903 HE2 HIS 116 HE2 HIS 116 20.989 11.145 14.420 904 H HIS 117 H HIS 117 19.060 10.500 8.114 905 HA HIS 117 HA HIS 117 21.205 8.641 8.410 906 HB2 HIS 117 2HB HIS 117 18.798 7.942 8.361 907 HB3 HIS 117 3HB HIS 117 18.701 8.418 6.668 908 HD1 HIS 117 HD1 HIS 117 20.299 5.835 8.910 909 HD2 HIS 117 HD2 HIS 117 19.661 6.508 4.863 910 HE1 HIS 117 HE1 HIS 117 20.993 3.724 7.756 911 HE2 HIS 117 HE2 HIS 117 20.434 4.099 5.334 912 H HIS 118 H HIS 118 23.007 9.229 7.387 913 HA HIS 118 HA HIS 118 22.982 10.029 4.553 914 HB2 HIS 118 2HB HIS 118 25.319 10.741 4.922 915 HB3 HIS 118 3HB HIS 118 24.235 11.497 6.079 916 HD1 HIS 118 HD1 HIS 118 27.421 9.898 5.932 917 HD2 HIS 118 HD2 HIS 118 24.332 9.980 8.711 918 HE1 HIS 118 HE1 HIS 118 28.425 9.106 8.089 919 HE2 HIS 118 HE2 HIS 118 26.530 9.146 9.745 920 H HIS 119 H HIS 119 23.367 8.558 3.067 921 HA HIS 119 HA HIS 119 25.255 6.385 3.414 922 HB2 HIS 119 2HB HIS 119 23.225 5.346 4.364 923 HB3 HIS 119 3HB HIS 119 22.278 5.817 2.955 924 HD1 HIS 119 HD1 HIS 119 24.980 3.384 4.022 925 HD2 HIS 119 HD2 HIS 119 22.463 4.055 0.783 926 HE1 HIS 119 HE1 HIS 119 25.199 1.359 2.554 927 HE2 HIS 119 HE2 HIS 119 23.507 1.710 0.742 928 H HIS 120 H HIS 120 26.439 6.997 1.654 929 HA HIS 120 HA HIS 120 25.284 7.652 -0.895 930 HB2 HIS 120 2HB HIS 120 27.562 7.643 -1.780 931 HB3 HIS 120 3HB HIS 120 27.558 8.466 -0.225 932 HD1 HIS 120 HD1 HIS 120 28.712 5.269 -1.876 933 HD2 HIS 120 HD2 HIS 120 29.200 7.284 1.716 934 HE1 HIS 120 HE1 HIS 120 30.522 4.036 -0.658 935 HE2 HIS 120 HE2 HIS 120 30.625 5.150 1.601
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