NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1827 | 1azh | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 2H THR 1 -3.638 -6.639 -7.966 2 2H THR 1 3H THR 1 -3.622 -6.346 -9.600 3 3H THR 1 1H THR 1 -2.485 -5.741 -8.587 4 HA THR 1 HA THR 1 -3.869 -4.334 -7.447 5 HB THR 1 HB THR 1 -4.436 -3.831 -10.396 6 HG1 THR 1 HG1 THR 1 -2.343 -2.703 -10.088 7 1HG2 THR 1 2HG2 THR 1 -5.493 -2.193 -8.799 8 2HG2 THR 1 3HG2 THR 1 -3.900 -1.925 -8.065 9 3HG2 THR 1 1HG2 THR 1 -4.193 -1.467 -9.748 10 H GLN 2 H GLN 2 -6.085 -5.484 -10.129 11 HA GLN 2 HA GLN 2 -8.406 -4.716 -8.550 12 1HB GLN 2 2HB GLN 2 -8.289 -4.316 -10.969 13 2HB GLN 2 1HB GLN 2 -8.139 -6.046 -11.277 14 1HG GLN 2 1HG GLN 2 -10.429 -5.238 -11.696 15 2HG GLN 2 2HG GLN 2 -10.423 -6.451 -10.430 16 1HE2 GLN 2 2HE2 GLN 2 -11.559 -4.140 -7.951 17 2HE2 GLN 2 1HE2 GLN 2 -10.743 -5.694 -8.138 18 H SER 3 H SER 3 -7.212 -7.855 -9.851 19 HA SER 3 HA SER 3 -9.094 -9.487 -8.324 20 1HB SER 3 1HB SER 3 -7.609 -11.330 -9.252 21 2HB SER 3 2HB SER 3 -8.417 -10.310 -10.454 22 HG SER 3 HG SER 3 -6.112 -10.671 -10.858 23 H HIS 4 H HIS 4 -5.576 -9.754 -8.386 24 HA HIS 4 HA HIS 4 -5.261 -10.260 -5.524 25 1HB HIS 4 1HB HIS 4 -3.609 -11.101 -7.080 26 2HB HIS 4 2HB HIS 4 -3.235 -9.470 -7.653 27 HD2 HIS 4 HD2 HIS 4 -2.309 -11.924 -4.848 28 HE1 HIS 4 HE1 HIS 4 -0.549 -8.203 -3.834 29 HE2 HIS 4 HE2 HIS 4 -0.602 -10.692 -3.267 30 H ALA 5 H ALA 5 -5.921 -8.649 -4.123 31 HA ALA 5 HA ALA 5 -6.036 -5.890 -4.678 32 1HB ALA 5 2HB ALA 5 -7.394 -6.958 -2.958 33 2HB ALA 5 3HB ALA 5 -5.942 -7.337 -2.001 34 3HB ALA 5 1HB ALA 5 -6.439 -5.648 -2.235 35 H GLY 6 H GLY 6 -4.782 -4.133 -4.246 36 1HA GLY 6 1HA GLY 6 -1.874 -4.489 -3.924 37 2HA GLY 6 2HA GLY 6 -2.719 -2.998 -4.266 38 H GLN 7 H GLN 7 -3.991 -2.099 -2.335 39 HA GLN 7 HA GLN 7 -2.091 -1.344 -0.410 40 1HB GLN 7 1HB GLN 7 -3.737 0.133 -1.271 41 2HB GLN 7 2HB GLN 7 -5.063 -0.842 -0.625 42 1HG GLN 7 2HG GLN 7 -4.460 -0.337 1.665 43 2HG GLN 7 1HG GLN 7 -2.981 0.487 1.169 44 1HE2 GLN 7 2HE2 GLN 7 -6.031 2.791 1.720 45 2HE2 GLN 7 1HE2 GLN 7 -5.547 1.379 2.678 46 H CYS 8 H CYS 8 -1.364 -2.602 1.269 47 HA CYS 8 HA CYS 8 -3.274 -3.464 3.392 48 1HB CYS 8 1HB CYS 8 -1.268 -3.945 4.709 49 2HB CYS 8 2HB CYS 8 -1.276 -4.791 3.165 50 H GLY 9 H GLY 9 -0.753 -0.928 3.021 51 1HA GLY 9 2HA GLY 9 -0.691 1.276 3.646 52 2HA GLY 9 1HA GLY 9 -2.374 1.212 4.173 53 H GLY 10 H GLY 10 -0.666 2.789 5.596 54 1HA GLY 10 1HA GLY 10 -0.283 1.357 8.202 55 2HA GLY 10 2HA GLY 10 0.998 2.331 7.517 56 H ILE 11 H ILE 11 1.074 4.363 8.326 57 HA ILE 11 HA ILE 11 -0.463 5.037 10.598 58 HB ILE 11 HB ILE 11 1.393 6.856 9.063 59 1HG1 ILE 11 2HG1 ILE 11 1.969 5.019 11.434 60 2HG1 ILE 11 1HG1 ILE 11 2.464 4.686 9.774 61 1HG2 ILE 11 2HG2 ILE 11 -0.035 8.103 10.694 62 2HG2 ILE 11 3HG2 ILE 11 0.514 7.004 11.973 63 3HG2 ILE 11 1HG2 ILE 11 1.648 8.100 11.161 64 1HD1 ILE 11 2HD1 ILE 11 3.809 6.820 9.783 65 2HD1 ILE 11 3HD1 ILE 11 3.480 6.957 11.527 66 3HD1 ILE 11 1HD1 ILE 11 4.373 5.572 10.908 67 H GLY 12 H GLY 12 -2.621 4.978 9.927 68 1HA GLY 12 1HA GLY 12 -4.633 6.208 9.921 69 2HA GLY 12 2HA GLY 12 -3.819 7.622 9.262 70 H TYR 13 H TYR 13 -3.501 4.405 7.790 71 HA TYR 13 HA TYR 13 -4.892 5.392 5.339 72 1HB TYR 13 1HB TYR 13 -2.790 3.295 5.851 73 2HB TYR 13 2HB TYR 13 -3.752 3.256 4.388 74 HD1 TYR 13 HD2 TYR 13 -1.910 5.956 6.351 75 HD2 TYR 13 HD1 TYR 13 -2.851 4.232 2.497 76 HE1 TYR 13 HE2 TYR 13 -0.906 7.914 5.200 77 HE2 TYR 13 HE1 TYR 13 -1.619 6.082 1.385 78 HH TYR 13 HH TYR 13 -0.414 7.943 1.677 79 H SER 14 H SER 14 -6.339 4.255 4.184 80 HA SER 14 HA SER 14 -7.460 1.702 4.707 81 1HB SER 14 2HB SER 14 -8.432 2.481 6.738 82 2HB SER 14 1HB SER 14 -8.975 3.995 6.007 83 HG SER 14 HG SER 14 -9.946 1.379 5.389 84 H GLY 15 H GLY 15 -8.692 4.941 3.707 85 1HA GLY 15 2HA GLY 15 -10.168 4.276 1.448 86 2HA GLY 15 1HA GLY 15 -9.234 5.766 1.612 87 HA PRO 16 HA PRO 16 -7.451 2.485 -1.431 88 1HB PRO 16 2HB PRO 16 -8.625 2.873 -3.854 89 2HB PRO 16 1HB PRO 16 -9.475 2.046 -2.522 90 1HG PRO 16 1HG PRO 16 -9.646 5.002 -3.223 91 2HG PRO 16 2HG PRO 16 -11.001 3.838 -3.109 92 1HD PRO 16 2HD PRO 16 -10.352 5.371 -0.967 93 2HD PRO 16 1HD PRO 16 -10.739 3.636 -0.740 94 H THR 17 H THR 17 -5.730 4.140 -0.726 95 HA THR 17 HA THR 17 -4.773 6.101 -2.723 96 HB THR 17 HB THR 17 -2.803 6.273 -1.240 97 HG1 THR 17 HG1 THR 17 -4.008 4.021 -0.034 98 1HG2 THR 17 2HG2 THR 17 -4.847 7.581 -0.725 99 2HG2 THR 17 3HG2 THR 17 -5.416 6.279 0.337 100 3HG2 THR 17 1HG2 THR 17 -3.926 7.151 0.732 101 H VAL 18 H VAL 18 -5.195 3.817 -4.076 102 HA VAL 18 HA VAL 18 -3.302 1.791 -3.530 103 HB VAL 18 HB VAL 18 -5.587 1.359 -3.853 104 1HG1 VAL 18 2HG1 VAL 18 -6.111 2.941 -5.736 105 2HG1 VAL 18 3HG1 VAL 18 -5.313 1.826 -6.855 106 3HG1 VAL 18 1HG1 VAL 18 -6.739 1.306 -5.953 107 1HG2 VAL 18 3HG2 VAL 18 -3.943 -0.455 -4.207 108 2HG2 VAL 18 1HG2 VAL 18 -5.415 -0.683 -5.169 109 3HG2 VAL 18 2HG2 VAL 18 -3.932 -0.113 -5.949 110 H CYS 19 H CYS 19 -1.186 2.344 -4.057 111 HA CYS 19 HA CYS 19 -0.287 1.994 -6.831 112 1HB CYS 19 1HB CYS 19 1.273 2.888 -5.155 113 2HB CYS 19 2HB CYS 19 1.116 1.402 -4.213 114 H ALA 20 H ALA 20 0.595 -0.025 -7.631 115 HA ALA 20 HA ALA 20 -1.184 -2.133 -7.721 116 1HB ALA 20 2HB ALA 20 0.392 -1.448 -9.473 117 2HB ALA 20 3HB ALA 20 1.753 -2.041 -8.505 118 3HB ALA 20 1HB ALA 20 0.555 -3.174 -9.162 119 H SER 21 H SER 21 -0.257 -4.449 -7.779 120 HA SER 21 HA SER 21 -0.677 -5.739 -5.359 121 1HB SER 21 1HB SER 21 0.616 -6.569 -7.972 122 2HB SER 21 2HB SER 21 0.319 -7.731 -6.698 123 HG SER 21 HG SER 21 -1.818 -7.362 -6.713 124 H GLY 22 H GLY 22 0.741 -4.839 -3.689 125 1HA GLY 22 1HA GLY 22 3.603 -5.397 -3.671 126 2HA GLY 22 2HA GLY 22 2.619 -4.899 -2.301 127 H THR 23 H THR 23 0.786 -7.011 -2.271 128 HA THR 23 HA THR 23 0.310 -8.943 -1.358 129 HB THR 23 HB THR 23 1.740 -9.833 -3.427 130 HG1 THR 23 HG1 THR 23 0.899 -11.541 -1.323 131 1HG2 THR 23 2HG2 THR 23 3.133 -11.184 -1.061 132 2HG2 THR 23 3HG2 THR 23 3.217 -11.665 -2.756 133 3HG2 THR 23 1HG2 THR 23 3.919 -10.121 -2.255 134 H THR 24 H THR 24 3.731 -8.324 -0.720 135 HA THR 24 HA THR 24 3.243 -8.630 2.213 136 HB THR 24 HB THR 24 5.577 -8.537 2.584 137 HG1 THR 24 HG1 THR 24 5.979 -8.146 -0.198 138 1HG2 THR 24 2HG2 THR 24 4.687 -10.749 1.782 139 2HG2 THR 24 3HG2 THR 24 5.255 -10.343 0.151 140 3HG2 THR 24 1HG2 THR 24 6.418 -10.499 1.475 141 H CYS 25 H CYS 25 4.538 -6.814 3.427 142 HA CYS 25 HA CYS 25 3.211 -4.258 2.567 143 1HB CYS 25 1HB CYS 25 1.947 -5.883 4.099 144 2HB CYS 25 2HB CYS 25 3.163 -5.537 5.322 145 H GLN 26 H GLN 26 5.282 -3.355 1.980 146 HA GLN 26 HA GLN 26 7.134 -2.769 4.255 147 1HB GLN 26 1HB GLN 26 7.967 -4.104 2.276 148 2HB GLN 26 2HB GLN 26 7.944 -2.594 1.356 149 1HG GLN 26 2HG GLN 26 9.345 -1.593 3.296 150 2HG GLN 26 1HG GLN 26 9.463 -3.226 3.961 151 1HE2 GLN 26 1HE2 GLN 26 11.560 -4.157 1.036 152 2HE2 GLN 26 2HE2 GLN 26 10.016 -4.780 1.631 153 H VAL 27 H VAL 27 7.496 -0.609 1.499 154 HA VAL 27 HA VAL 27 5.730 1.428 2.408 155 HB VAL 27 HB VAL 27 7.423 1.433 4.314 156 1HG1 VAL 27 3HG2 VAL 27 9.450 1.071 2.900 157 2HG1 VAL 27 1HG2 VAL 27 9.273 2.719 2.262 158 3HG1 VAL 27 2HG2 VAL 27 9.584 2.466 3.979 159 1HG2 VAL 27 2HG1 VAL 27 5.926 3.366 3.833 160 2HG2 VAL 27 3HG1 VAL 27 7.483 3.824 4.528 161 3HG2 VAL 27 1HG1 VAL 27 7.202 4.045 2.800 162 H LEU 28 H LEU 28 5.542 3.163 1.003 163 HA LEU 28 HA LEU 28 7.701 3.661 -1.048 164 1HB LEU 28 1HB LEU 28 5.136 5.273 -0.989 165 2HB LEU 28 2HB LEU 28 6.321 5.043 -2.251 166 HG LEU 28 HG LEU 28 5.426 2.660 -2.505 167 1HD1 LEU 28 3HD1 LEU 28 3.540 3.784 -0.395 168 2HD1 LEU 28 1HD1 LEU 28 2.954 2.580 -1.562 169 3HD1 LEU 28 2HD1 LEU 28 4.257 2.187 -0.455 170 1HD2 LEU 28 2HD2 LEU 28 3.533 5.055 -2.839 171 2HD2 LEU 28 3HD2 LEU 28 4.782 4.544 -3.991 172 3HD2 LEU 28 1HD2 LEU 28 3.379 3.511 -3.692 173 H ASN 29 H ASN 29 5.540 5.429 1.082 174 HA ASN 29 HA ASN 29 7.658 7.279 2.050 175 1HB ASN 29 1HB ASN 29 4.786 8.071 1.411 176 2HB ASN 29 2HB ASN 29 6.085 9.143 1.937 177 1HD2 ASN 29 1HD2 ASN 29 7.624 8.625 -1.470 178 2HD2 ASN 29 2HD2 ASN 29 8.198 8.110 0.114 179 HA PRO 30 HA PRO 30 7.144 5.715 6.003 180 1HB PRO 30 2HB PRO 30 6.156 8.482 6.798 181 2HB PRO 30 1HB PRO 30 7.154 7.352 7.761 182 1HG PRO 30 1HG PRO 30 8.365 9.249 6.247 183 2HG PRO 30 2HG PRO 30 8.998 7.581 6.236 184 1HD PRO 30 2HD PRO 30 7.391 8.987 4.129 185 2HD PRO 30 1HD PRO 30 8.644 7.727 3.959 186 H TYR 31 H TYR 31 4.150 7.761 5.688 187 HA TYR 31 HA TYR 31 2.633 6.069 7.424 188 1HB TYR 31 1HB TYR 31 1.616 7.974 5.268 189 2HB TYR 31 2HB TYR 31 0.681 7.208 6.562 190 HD1 TYR 31 HD2 TYR 31 3.820 8.409 7.950 191 HD2 TYR 31 HD1 TYR 31 -0.168 9.584 6.720 192 HE1 TYR 31 HE2 TYR 31 3.893 10.333 9.491 193 HE2 TYR 31 HE1 TYR 31 -0.085 11.477 8.315 194 HH TYR 31 HH TYR 31 1.127 12.536 9.882 195 H TYR 32 H TYR 32 3.162 5.814 3.942 196 HA TYR 32 HA TYR 32 0.875 3.977 3.614 197 1HB TYR 32 2HB TYR 32 1.169 5.945 2.112 198 2HB TYR 32 1HB TYR 32 2.677 5.262 1.543 199 HD1 TYR 32 HD1 TYR 32 -0.385 3.123 2.148 200 HD2 TYR 32 HD2 TYR 32 1.834 5.409 -0.779 201 HE1 TYR 32 HE1 TYR 32 -1.368 1.777 0.344 202 HE2 TYR 32 HE2 TYR 32 0.770 4.072 -2.594 203 HH TYR 32 HH TYR 32 -1.780 1.843 -1.952 204 H SER 33 H SER 33 1.821 2.186 4.752 205 HA SER 33 HA SER 33 4.314 1.117 4.295 206 1HB SER 33 1HB SER 33 2.850 0.741 6.315 207 2HB SER 33 2HB SER 33 1.895 -0.418 5.388 208 HG SER 33 HG SER 33 4.506 -1.095 5.207 209 H GLN 34 H GLN 34 3.753 1.111 1.620 210 HA GLN 34 HA GLN 34 2.898 -1.680 0.842 211 1HB GLN 34 1HB GLN 34 1.081 -0.032 1.054 212 2HB GLN 34 2HB GLN 34 1.905 1.077 -0.028 213 1HG GLN 34 1HG GLN 34 0.043 -0.068 -1.116 214 2HG GLN 34 2HG GLN 34 1.550 -0.463 -1.904 215 1HE2 GLN 34 2HE2 GLN 34 0.287 -3.757 -1.642 216 2HE2 GLN 34 1HE2 GLN 34 1.003 -2.553 -2.742 217 H CYS 35 H CYS 35 3.078 -2.119 -1.519 218 HA CYS 35 HA CYS 35 4.003 -2.051 -3.615 219 1HB CYS 35 1HB CYS 35 2.621 -0.260 -3.709 220 2HB CYS 35 2HB CYS 35 3.622 0.767 -2.683 221 H LEU 36 H LEU 36 5.828 -3.143 -3.731 222 HA LEU 36 HA LEU 36 8.476 -1.966 -3.123 223 1HB LEU 36 1HB LEU 36 8.019 -4.933 -3.358 224 2HB LEU 36 2HB LEU 36 9.204 -4.019 -2.445 225 HG LEU 36 HG LEU 36 7.195 -3.367 -0.883 226 1HD1 LEU 36 1HD2 LEU 36 6.036 -5.782 -2.384 227 2HD1 LEU 36 2HD2 LEU 36 5.469 -5.279 -0.787 228 3HD1 LEU 36 3HD2 LEU 36 5.246 -4.214 -2.162 229 1HD2 LEU 36 2HD1 LEU 36 9.057 -4.919 -0.296 230 2HD2 LEU 36 3HD1 LEU 36 7.517 -5.431 0.419 231 3HD2 LEU 36 1HD1 LEU 36 8.151 -6.268 -1.007 No H/Q in entry = 231 Start of MODEL 2 1 1H THR 1 1H THR 1 -7.907 -6.987 -9.405 2 2H THR 1 2H THR 1 -8.112 -5.379 -9.650 3 3H THR 1 3H THR 1 -7.372 -6.279 -10.814 4 HA THR 1 HA THR 1 -5.437 -6.515 -9.461 5 HB THR 1 HB THR 1 -4.848 -4.140 -9.076 6 HG1 THR 1 HG1 THR 1 -6.494 -2.590 -9.403 7 1HG2 THR 1 2HG2 THR 1 -4.815 -4.982 -11.452 8 2HG2 THR 1 3HG2 THR 1 -6.484 -4.392 -11.657 9 3HG2 THR 1 1HG2 THR 1 -5.177 -3.259 -11.334 10 H GLN 2 H GLN 2 -4.319 -6.258 -7.353 11 HA GLN 2 HA GLN 2 -6.283 -6.749 -5.162 12 1HB GLN 2 2HB GLN 2 -4.997 -8.618 -5.931 13 2HB GLN 2 1HB GLN 2 -3.473 -7.754 -5.686 14 1HG GLN 2 1HG GLN 2 -3.978 -9.394 -3.874 15 2HG GLN 2 2HG GLN 2 -3.772 -7.754 -3.268 16 1HE2 GLN 2 2HE2 GLN 2 -6.940 -7.905 -1.716 17 2HE2 GLN 2 1HE2 GLN 2 -5.329 -7.200 -1.697 18 H SER 3 H SER 3 -6.613 -4.976 -3.917 19 HA SER 3 HA SER 3 -4.790 -2.942 -3.139 20 1HB SER 3 1HB SER 3 -6.497 -2.355 -1.489 21 2HB SER 3 2HB SER 3 -7.211 -2.702 -3.076 22 HG SER 3 HG SER 3 -7.081 -4.506 -0.872 23 H HIS 4 H HIS 4 -2.918 -4.106 -2.632 24 HA HIS 4 HA HIS 4 -2.389 -4.545 0.197 25 1HB HIS 4 1HB HIS 4 -3.469 -6.694 -0.589 26 2HB HIS 4 2HB HIS 4 -2.131 -6.928 -1.687 27 HD2 HIS 4 HD2 HIS 4 -3.216 -8.491 1.297 28 HE1 HIS 4 HE1 HIS 4 0.917 -8.031 2.050 29 HE2 HIS 4 HE2 HIS 4 -1.166 -9.293 2.744 30 H ALA 5 H ALA 5 -1.144 -5.382 -3.010 31 HA ALA 5 HA ALA 5 1.280 -3.664 -2.842 32 1HB ALA 5 3HB ALA 5 -0.022 -5.173 -5.158 33 2HB ALA 5 1HB ALA 5 1.485 -4.247 -5.253 34 3HB ALA 5 2HB ALA 5 1.406 -5.690 -4.249 35 H GLY 6 H GLY 6 1.096 -1.460 -3.283 36 1HA GLY 6 1HA GLY 6 0.091 0.577 -3.927 37 2HA GLY 6 2HA GLY 6 -1.320 -0.257 -4.560 38 H GLN 7 H GLN 7 0.309 0.812 -1.661 39 HA GLN 7 HA GLN 7 -0.197 0.602 0.549 40 1HB GLN 7 1HB GLN 7 -0.439 2.888 -0.411 41 2HB GLN 7 2HB GLN 7 -2.165 2.745 -0.274 42 1HG GLN 7 1HG GLN 7 -0.278 2.344 2.111 43 2HG GLN 7 2HG GLN 7 -0.788 3.942 1.582 44 1HE2 GLN 7 2HE2 GLN 7 -4.267 2.483 2.675 45 2HE2 GLN 7 1HE2 GLN 7 -3.590 2.148 1.096 46 H CYS 8 H CYS 8 -0.985 -1.392 1.078 47 HA CYS 8 HA CYS 8 -3.506 -2.425 1.427 48 1HB CYS 8 1HB CYS 8 -2.521 -3.394 3.589 49 2HB CYS 8 2HB CYS 8 -1.643 -3.663 2.092 50 H GLY 9 H GLY 9 -2.154 -0.514 4.172 51 1HA GLY 9 1HA GLY 9 -4.267 1.263 4.665 52 2HA GLY 9 2HA GLY 9 -4.728 -0.245 5.450 53 H GLY 10 H GLY 10 -2.198 2.241 5.319 54 1HA GLY 10 1HA GLY 10 -1.057 1.466 7.981 55 2HA GLY 10 2HA GLY 10 -0.325 2.506 6.770 56 H ILE 11 H ILE 11 -0.248 4.611 7.462 57 HA ILE 11 HA ILE 11 -2.210 5.528 9.547 58 HB ILE 11 HB ILE 11 0.564 6.564 9.011 59 1HG1 ILE 11 2HG1 ILE 11 -0.548 4.783 11.244 60 2HG1 ILE 11 1HG1 ILE 11 0.512 4.228 9.950 61 1HG2 ILE 11 2HG2 ILE 11 -0.942 8.303 9.900 62 2HG2 ILE 11 3HG2 ILE 11 -1.408 7.223 11.231 63 3HG2 ILE 11 1HG2 ILE 11 0.255 7.836 11.089 64 1HD1 ILE 11 2HD1 ILE 11 2.314 5.752 10.766 65 2HD1 ILE 11 3HD1 ILE 11 1.288 6.162 12.161 66 3HD1 ILE 11 1HD1 ILE 11 1.834 4.502 11.923 67 H GLY 12 H GLY 12 -3.695 6.941 9.017 68 1HA GLY 12 2HA GLY 12 -4.747 8.803 8.054 69 2HA GLY 12 1HA GLY 12 -3.345 9.114 7.039 70 H TYR 13 H TYR 13 -4.913 5.954 7.172 71 HA TYR 13 HA TYR 13 -6.554 6.294 4.784 72 1HB TYR 13 1HB TYR 13 -3.771 5.466 4.549 73 2HB TYR 13 2HB TYR 13 -4.741 4.061 4.251 74 HD1 TYR 13 HD1 TYR 13 -6.318 3.998 2.293 75 HD2 TYR 13 HD2 TYR 13 -3.720 7.363 3.022 76 HE1 TYR 13 HE1 TYR 13 -6.863 4.903 0.044 77 HE2 TYR 13 HE2 TYR 13 -4.148 8.178 0.701 78 HH TYR 13 HH TYR 13 -6.420 6.510 -1.479 79 H SER 14 H SER 14 -7.252 3.968 4.064 80 HA SER 14 HA SER 14 -7.281 1.711 5.653 81 1HB SER 14 2HB SER 14 -8.465 2.733 7.472 82 2HB SER 14 1HB SER 14 -9.658 3.462 6.390 83 HG SER 14 HG SER 14 -9.269 0.662 6.819 84 H GLY 15 H GLY 15 -9.645 3.616 3.739 85 1HA GLY 15 1HA GLY 15 -10.739 1.478 2.222 86 2HA GLY 15 2HA GLY 15 -10.658 3.162 1.702 87 HA PRO 16 HA PRO 16 -7.379 0.190 -0.282 88 1HB PRO 16 2HB PRO 16 -8.596 -0.873 -2.525 89 2HB PRO 16 1HB PRO 16 -8.790 -1.565 -0.891 90 1HG PRO 16 1HG PRO 16 -10.611 0.419 -2.292 91 2HG PRO 16 2HG PRO 16 -11.068 -1.151 -1.569 92 1HD PRO 16 2HD PRO 16 -11.361 1.147 -0.173 93 2HD PRO 16 1HD PRO 16 -10.719 -0.308 0.653 94 H THR 17 H THR 17 -5.854 0.949 -1.732 95 HA THR 17 HA THR 17 -6.639 2.688 -4.029 96 HB THR 17 HB THR 17 -6.190 4.217 -2.254 97 HG1 THR 17 HG1 THR 17 -4.291 5.229 -3.367 98 1HG2 THR 17 3HG2 THR 17 -4.587 2.860 -0.892 99 2HG2 THR 17 1HG2 THR 17 -3.339 3.141 -2.123 100 3HG2 THR 17 2HG2 THR 17 -4.006 4.501 -1.216 101 H VAL 18 H VAL 18 -6.325 0.686 -5.059 102 HA VAL 18 HA VAL 18 -3.857 -0.757 -4.832 103 HB VAL 18 HB VAL 18 -6.125 -1.722 -4.933 104 1HG1 VAL 18 2HG1 VAL 18 -7.058 -0.285 -6.806 105 2HG1 VAL 18 3HG1 VAL 18 -6.063 -1.204 -7.942 106 3HG1 VAL 18 1HG1 VAL 18 -7.332 -2.019 -7.007 107 1HG2 VAL 18 3HG2 VAL 18 -4.044 -3.034 -5.445 108 2HG2 VAL 18 1HG2 VAL 18 -5.555 -3.649 -6.169 109 3HG2 VAL 18 2HG2 VAL 18 -4.370 -2.813 -7.170 110 H CYS 19 H CYS 19 -2.318 -1.405 -6.331 111 HA CYS 19 HA CYS 19 -2.175 0.058 -8.958 112 1HB CYS 19 1HB CYS 19 0.126 -0.522 -9.064 113 2HB CYS 19 2HB CYS 19 -0.220 0.311 -7.558 114 H ALA 20 H ALA 20 -0.331 -2.504 -9.630 115 HA ALA 20 HA ALA 20 -2.419 -3.849 -11.220 116 1HB ALA 20 2HB ALA 20 -0.320 -3.233 -12.276 117 2HB ALA 20 3HB ALA 20 0.600 -4.202 -11.114 118 3HB ALA 20 1HB ALA 20 -0.505 -4.994 -12.258 119 H SER 21 H SER 21 0.213 -5.193 -9.198 120 HA SER 21 HA SER 21 -1.298 -6.718 -7.403 121 1HB SER 21 1HB SER 21 -1.829 -8.078 -9.531 122 2HB SER 21 2HB SER 21 -0.104 -8.474 -9.601 123 HG SER 21 HG SER 21 -1.187 -10.083 -8.407 124 H GLY 22 H GLY 22 0.243 -8.709 -6.673 125 1HA GLY 22 2HA GLY 22 2.844 -9.014 -6.430 126 2HA GLY 22 1HA GLY 22 2.790 -7.394 -5.744 127 H THR 23 H THR 23 0.261 -7.806 -4.395 128 HA THR 23 HA THR 23 -0.316 -7.948 -2.240 129 HB THR 23 HB THR 23 -1.070 -10.137 -2.759 130 HG1 THR 23 HG1 THR 23 0.219 -10.098 -0.259 131 1HG2 THR 23 3HG2 THR 23 1.662 -11.192 -1.879 132 2HG2 THR 23 1HG2 THR 23 0.183 -12.161 -2.049 133 3HG2 THR 23 2HG2 THR 23 0.893 -11.390 -3.468 134 H THR 24 H THR 24 1.761 -6.506 -2.421 135 HA THR 24 HA THR 24 3.726 -7.169 -0.292 136 HB THR 24 HB THR 24 5.107 -5.508 -1.497 137 HG1 THR 24 HG1 THR 24 4.113 -5.330 -3.817 138 1HG2 THR 24 2HG2 THR 24 5.239 -7.973 -1.950 139 2HG2 THR 24 3HG2 THR 24 4.113 -7.748 -3.297 140 3HG2 THR 24 1HG2 THR 24 5.696 -6.981 -3.344 141 H CYS 25 H CYS 25 1.824 -6.410 1.163 142 HA CYS 25 HA CYS 25 1.726 -3.595 1.833 143 1HB CYS 25 1HB CYS 25 0.098 -5.284 2.602 144 2HB CYS 25 2HB CYS 25 1.330 -6.020 3.625 145 H GLN 26 H GLN 26 4.066 -3.295 1.309 146 HA GLN 26 HA GLN 26 6.063 -3.999 3.355 147 1HB GLN 26 1HB GLN 26 6.143 -3.715 0.578 148 2HB GLN 26 2HB GLN 26 6.768 -2.165 1.101 149 1HG GLN 26 2HG GLN 26 8.650 -3.565 0.828 150 2HG GLN 26 1HG GLN 26 8.439 -3.527 2.577 151 1HE2 GLN 26 2HE2 GLN 26 6.952 -7.052 1.851 152 2HE2 GLN 26 1HE2 GLN 26 5.998 -5.573 2.029 153 H VAL 27 H VAL 27 7.745 -1.725 3.250 154 HA VAL 27 HA VAL 27 6.176 0.586 4.138 155 HB VAL 27 HB VAL 27 6.432 -0.675 6.200 156 1HG1 VAL 27 3HG2 VAL 27 8.608 -1.824 5.722 157 2HG1 VAL 27 1HG2 VAL 27 9.452 -0.281 5.979 158 3HG1 VAL 27 2HG2 VAL 27 8.540 -1.031 7.301 159 1HG2 VAL 27 2HG1 VAL 27 6.323 1.794 6.261 160 2HG2 VAL 27 3HG1 VAL 27 7.306 1.154 7.583 161 3HG2 VAL 27 1HG1 VAL 27 8.094 1.889 6.182 162 H LEU 28 H LEU 28 7.004 2.437 3.497 163 HA LEU 28 HA LEU 28 9.876 2.629 2.519 164 1HB LEU 28 1HB LEU 28 7.367 4.169 1.747 165 2HB LEU 28 2HB LEU 28 9.003 4.725 1.395 166 HG LEU 28 HG LEU 28 9.455 2.686 0.068 167 1HD1 LEU 28 1HD2 LEU 28 6.503 2.092 0.580 168 2HD1 LEU 28 2HD2 LEU 28 7.443 1.376 -0.747 169 3HD1 LEU 28 3HD2 LEU 28 7.892 1.033 0.915 170 1HD2 LEU 28 1HD1 LEU 28 7.038 4.371 -0.724 171 2HD2 LEU 28 2HD1 LEU 28 8.742 4.788 -0.980 172 3HD2 LEU 28 3HD1 LEU 28 8.036 3.424 -1.851 173 H ASN 29 H ASN 29 7.402 4.703 3.956 174 HA ASN 29 HA ASN 29 9.236 5.468 6.154 175 1HB ASN 29 1HB ASN 29 8.334 7.738 6.236 176 2HB ASN 29 2HB ASN 29 9.032 7.438 4.658 177 1HD2 ASN 29 1HD2 ASN 29 5.940 8.035 3.022 178 2HD2 ASN 29 2HD2 ASN 29 7.676 7.770 2.850 179 HA PRO 30 HA PRO 30 6.550 3.792 9.005 180 1HB PRO 30 2HB PRO 30 5.843 6.509 10.165 181 2HB PRO 30 1HB PRO 30 6.236 4.996 11.032 182 1HG PRO 30 2HG PRO 30 8.178 6.842 10.679 183 2HG PRO 30 1HG PRO 30 8.548 5.132 10.310 184 1HD PRO 30 2HD PRO 30 7.776 7.341 8.387 185 2HD PRO 30 1HD PRO 30 9.120 6.168 8.253 186 H TYR 31 H TYR 31 4.834 6.562 7.504 187 HA TYR 31 HA TYR 31 2.190 5.551 8.132 188 1HB TYR 31 1HB TYR 31 3.148 7.598 6.079 189 2HB TYR 31 2HB TYR 31 1.461 7.255 6.455 190 HD1 TYR 31 HD2 TYR 31 3.418 7.396 9.549 191 HD2 TYR 31 HD1 TYR 31 1.466 9.774 6.502 192 HE1 TYR 31 HE2 TYR 31 3.231 9.294 11.127 193 HE2 TYR 31 HE1 TYR 31 1.326 11.676 8.096 194 HH TYR 31 HH TYR 31 1.772 12.398 10.170 195 H TYR 32 H TYR 32 4.420 4.697 5.653 196 HA TYR 32 HA TYR 32 2.309 4.524 3.576 197 1HB TYR 32 2HB TYR 32 4.076 6.436 3.831 198 2HB TYR 32 1HB TYR 32 5.226 5.289 3.185 199 HD1 TYR 32 HD2 TYR 32 4.738 4.268 0.817 200 HD2 TYR 32 HD1 TYR 32 2.595 7.656 2.454 201 HE1 TYR 32 HE2 TYR 32 4.033 4.951 -1.468 202 HE2 TYR 32 HE1 TYR 32 2.051 8.412 0.143 203 HH TYR 32 HH TYR 32 2.879 6.449 -2.705 204 H SER 33 H SER 33 2.095 2.847 2.272 205 HA SER 33 HA SER 33 4.449 1.181 1.494 206 1HB SER 33 1HB SER 33 3.007 -0.253 2.831 207 2HB SER 33 2HB SER 33 1.630 0.109 1.785 208 HG SER 33 HG SER 33 2.715 -1.804 1.015 209 H GLN 34 H GLN 34 4.621 0.683 -0.665 210 HA GLN 34 HA GLN 34 3.118 2.495 -2.526 211 1HB GLN 34 1HB GLN 34 5.642 2.802 -1.887 212 2HB GLN 34 2HB GLN 34 5.946 1.506 -3.019 213 1HG GLN 34 1HG GLN 34 4.168 3.697 -4.068 214 2HG GLN 34 2HG GLN 34 5.735 4.275 -3.531 215 1HE2 GLN 34 2HE2 GLN 34 7.468 2.819 -6.257 216 2HE2 GLN 34 1HE2 GLN 34 7.683 3.525 -4.652 217 H CYS 35 H CYS 35 4.567 1.018 -4.822 218 HA CYS 35 HA CYS 35 2.975 -1.517 -4.921 219 1HB CYS 35 1HB CYS 35 2.328 0.350 -6.527 220 2HB CYS 35 2HB CYS 35 3.926 0.185 -7.242 221 H LEU 36 H LEU 36 4.421 -3.085 -4.301 222 HA LEU 36 HA LEU 36 7.115 -3.263 -5.587 223 1HB LEU 36 1HB LEU 36 6.304 -4.460 -2.927 224 2HB LEU 36 2HB LEU 36 7.886 -4.437 -3.657 225 HG LEU 36 HG LEU 36 7.933 -2.961 -1.849 226 1HD1 LEU 36 1HD1 LEU 36 9.056 -2.148 -3.914 227 2HD1 LEU 36 2HD1 LEU 36 7.631 -1.160 -4.285 228 3HD1 LEU 36 3HD1 LEU 36 8.578 -0.835 -2.824 229 1HD2 LEU 36 3HD2 LEU 36 5.466 -2.630 -1.574 230 2HD2 LEU 36 1HD2 LEU 36 6.439 -1.171 -1.326 231 3HD2 LEU 36 2HD2 LEU 36 5.528 -1.368 -2.812 No H/Q in entry = 231 Start of MODEL 3 1 1H THR 1 1H THR 1 -5.208 -3.267 -6.318 2 2H THR 1 2H THR 1 -3.878 -4.198 -6.619 3 3H THR 1 3H THR 1 -4.318 -3.088 -7.684 4 HA THR 1 HA THR 1 -6.335 -4.269 -8.274 5 HB THR 1 HB THR 1 -5.370 -6.384 -9.207 6 HG1 THR 1 HG1 THR 1 -3.329 -6.939 -8.571 7 1HG2 THR 1 3HG2 THR 1 -3.761 -3.826 -9.553 8 2HG2 THR 1 1HG2 THR 1 -3.518 -5.297 -10.519 9 3HG2 THR 1 2HG2 THR 1 -5.067 -4.435 -10.570 10 H GLN 2 H GLN 2 -4.940 -7.238 -7.019 11 HA GLN 2 HA GLN 2 -7.338 -8.490 -7.019 12 1HB GLN 2 1HB GLN 2 -4.729 -9.155 -5.684 13 2HB GLN 2 2HB GLN 2 -6.113 -10.214 -5.428 14 1HG GLN 2 1HG GLN 2 -4.637 -10.941 -7.288 15 2HG GLN 2 2HG GLN 2 -6.333 -10.768 -7.709 16 1HE2 GLN 2 2HE2 GLN 2 -5.561 -8.645 -10.400 17 2HE2 GLN 2 1HE2 GLN 2 -6.775 -9.621 -9.575 18 H SER 3 H SER 3 -6.011 -8.445 -3.713 19 HA SER 3 HA SER 3 -8.770 -8.104 -2.615 20 1HB SER 3 1HB SER 3 -6.183 -8.819 -1.156 21 2HB SER 3 2HB SER 3 -7.827 -8.787 -0.487 22 HG SER 3 HG SER 3 -7.335 -10.900 -1.138 23 H HIS 4 H HIS 4 -5.701 -6.867 -1.324 24 HA HIS 4 HA HIS 4 -6.306 -4.188 -2.365 25 1HB HIS 4 1HB HIS 4 -6.906 -4.282 0.140 26 2HB HIS 4 2HB HIS 4 -5.178 -4.441 0.451 27 HD2 HIS 4 HD2 HIS 4 -6.217 -1.936 1.786 28 HE1 HIS 4 HE1 HIS 4 -5.538 0.315 -1.730 29 HE2 HIS 4 HE2 HIS 4 -6.092 0.471 0.753 30 H ALA 5 H ALA 5 -4.824 -6.267 -3.430 31 HA ALA 5 HA ALA 5 -2.069 -6.319 -2.793 32 1HB ALA 5 2HB ALA 5 -3.175 -8.091 -4.076 33 2HB ALA 5 3HB ALA 5 -3.411 -6.974 -5.441 34 3HB ALA 5 1HB ALA 5 -1.779 -7.456 -4.956 35 H GLY 6 H GLY 6 -0.554 -4.812 -3.037 36 1HA GLY 6 1HA GLY 6 0.605 -3.028 -4.372 37 2HA GLY 6 2HA GLY 6 -1.019 -2.418 -4.758 38 H GLN 7 H GLN 7 -1.035 -0.504 -3.641 39 HA GLN 7 HA GLN 7 0.122 0.024 -1.099 40 1HB GLN 7 1HB GLN 7 -0.328 1.616 -2.995 41 2HB GLN 7 2HB GLN 7 -2.018 1.640 -2.473 42 1HG GLN 7 1HG GLN 7 -1.208 2.435 -0.194 43 2HG GLN 7 2HG GLN 7 0.440 2.386 -0.824 44 1HE2 GLN 7 2HE2 GLN 7 -0.659 5.890 -0.996 45 2HE2 GLN 7 1HE2 GLN 7 -0.573 4.738 0.345 46 H CYS 8 H CYS 8 -0.716 -1.895 -0.104 47 HA CYS 8 HA CYS 8 -3.100 -2.723 0.718 48 1HB CYS 8 1HB CYS 8 -1.886 -3.774 2.660 49 2HB CYS 8 2HB CYS 8 -1.038 -3.921 1.121 50 H GLY 9 H GLY 9 -2.262 0.371 1.876 51 1HA GLY 9 1HA GLY 9 -3.277 1.705 3.534 52 2HA GLY 9 2HA GLY 9 -4.318 0.353 3.952 53 H GLY 10 H GLY 10 -1.108 1.741 4.508 54 1HA GLY 10 1HA GLY 10 -0.331 -0.074 6.665 55 2HA GLY 10 2HA GLY 10 0.503 1.387 6.169 56 H ILE 11 H ILE 11 -0.191 3.452 7.065 57 HA ILE 11 HA ILE 11 -1.875 3.340 9.536 58 HB ILE 11 HB ILE 11 0.727 4.895 9.307 59 1HG1 ILE 11 2HG1 ILE 11 0.184 2.255 10.747 60 2HG1 ILE 11 1HG1 ILE 11 1.264 2.500 9.367 61 1HG2 ILE 11 2HG2 ILE 11 -1.063 5.832 10.832 62 2HG2 ILE 11 3HG2 ILE 11 -1.063 4.292 11.708 63 3HG2 ILE 11 1HG2 ILE 11 0.376 5.331 11.705 64 1HD1 ILE 11 2HD1 ILE 11 2.679 4.020 10.754 65 2HD1 ILE 11 3HD1 ILE 11 1.691 3.583 12.170 66 3HD1 ILE 11 1HD1 ILE 11 2.619 2.343 11.322 67 H GLY 12 H GLY 12 -3.409 4.911 9.632 68 1HA GLY 12 2HA GLY 12 -4.668 6.775 9.112 69 2HA GLY 12 1HA GLY 12 -3.299 7.498 8.276 70 H TYR 13 H TYR 13 -2.755 6.001 6.202 71 HA TYR 13 HA TYR 13 -4.936 6.076 4.303 72 1HB TYR 13 1HB TYR 13 -2.037 5.342 4.332 73 2HB TYR 13 2HB TYR 13 -2.970 4.395 3.216 74 HD1 TYR 13 HD2 TYR 13 -4.921 6.065 1.960 75 HD2 TYR 13 HD1 TYR 13 -0.864 7.047 3.113 76 HE1 TYR 13 HE2 TYR 13 -4.553 7.210 -0.219 77 HE2 TYR 13 HE1 TYR 13 -0.509 8.100 0.879 78 HH TYR 13 HH TYR 13 -2.762 7.331 -1.726 79 H SER 14 H SER 14 -6.385 4.544 3.689 80 HA SER 14 HA SER 14 -6.016 1.671 4.394 81 1HB SER 14 1HB SER 14 -8.456 3.191 5.382 82 2HB SER 14 2HB SER 14 -8.118 1.460 5.555 83 HG SER 14 HG SER 14 -6.003 2.447 6.536 84 H GLY 15 H GLY 15 -8.367 3.904 2.821 85 1HA GLY 15 2HA GLY 15 -9.775 1.936 1.378 86 2HA GLY 15 1HA GLY 15 -9.707 3.659 0.988 87 HA PRO 16 HA PRO 16 -8.160 0.927 -2.513 88 1HB PRO 16 2HB PRO 16 -9.959 2.794 -4.061 89 2HB PRO 16 1HB PRO 16 -9.726 1.043 -4.270 90 1HG PRO 16 2HG PRO 16 -11.916 1.970 -2.990 91 2HG PRO 16 1HG PRO 16 -11.016 0.609 -2.260 92 1HD PRO 16 2HD PRO 16 -10.769 3.572 -1.598 93 2HD PRO 16 1HD PRO 16 -11.053 2.205 -0.495 94 H THR 17 H THR 17 -6.468 3.177 -1.611 95 HA THR 17 HA THR 17 -5.664 4.871 -3.828 96 HB THR 17 HB THR 17 -5.277 5.470 -1.503 97 HG1 THR 17 HG1 THR 17 -2.796 5.087 -2.815 98 1HG2 THR 17 3HG2 THR 17 -3.346 3.117 -1.400 99 2HG2 THR 17 1HG2 THR 17 -3.386 4.424 -0.218 100 3HG2 THR 17 2HG2 THR 17 -4.772 3.357 -0.403 101 H VAL 18 H VAL 18 -5.782 2.277 -4.941 102 HA VAL 18 HA VAL 18 -3.221 0.970 -4.435 103 HB VAL 18 HB VAL 18 -5.499 -0.069 -4.096 104 1HG1 VAL 18 3HG2 VAL 18 -6.506 0.523 -6.313 105 2HG1 VAL 18 1HG2 VAL 18 -5.385 -0.609 -7.094 106 3HG1 VAL 18 2HG2 VAL 18 -6.579 -1.207 -5.933 107 1HG2 VAL 18 2HG1 VAL 18 -3.364 -1.312 -4.004 108 2HG2 VAL 18 3HG1 VAL 18 -4.692 -2.290 -4.617 109 3HG2 VAL 18 1HG1 VAL 18 -3.477 -1.633 -5.744 110 H CYS 19 H CYS 19 -1.746 0.240 -5.808 111 HA CYS 19 HA CYS 19 -1.535 1.273 -8.549 112 1HB CYS 19 1HB CYS 19 0.706 0.412 -8.422 113 2HB CYS 19 2HB CYS 19 0.358 1.125 -6.861 114 H ALA 20 H ALA 20 -0.144 -0.888 -9.686 115 HA ALA 20 HA ALA 20 -2.018 -2.796 -10.730 116 1HB ALA 20 2HB ALA 20 0.032 -2.004 -11.879 117 2HB ALA 20 3HB ALA 20 1.028 -2.828 -10.662 118 3HB ALA 20 1HB ALA 20 -0.019 -3.760 -11.759 119 H SER 21 H SER 21 -0.031 -5.103 -10.253 120 HA SER 21 HA SER 21 -1.240 -6.056 -7.678 121 1HB SER 21 1HB SER 21 -1.639 -7.336 -9.873 122 2HB SER 21 2HB SER 21 0.059 -7.817 -9.773 123 HG SER 21 HG SER 21 -2.013 -8.870 -8.439 124 H GLY 22 H GLY 22 0.432 -8.124 -7.163 125 1HA GLY 22 1HA GLY 22 2.944 -8.313 -6.684 126 2HA GLY 22 2HA GLY 22 2.820 -6.726 -5.918 127 H THR 23 H THR 23 1.046 -6.595 -4.230 128 HA THR 23 HA THR 23 -0.066 -7.287 -2.320 129 HB THR 23 HB THR 23 0.924 -10.148 -2.435 130 HG1 THR 23 HG1 THR 23 0.089 -9.623 -4.444 131 1HG2 THR 23 3HG2 THR 23 -1.687 -8.847 -1.500 132 2HG2 THR 23 1HG2 THR 23 -1.310 -10.579 -1.444 133 3HG2 THR 23 2HG2 THR 23 -0.399 -9.452 -0.438 134 H THR 24 H THR 24 2.440 -6.106 -2.414 135 HA THR 24 HA THR 24 4.117 -7.260 -0.267 136 HB THR 24 HB THR 24 5.802 -5.695 -1.402 137 HG1 THR 24 HG1 THR 24 4.978 -5.449 -3.721 138 1HG2 THR 24 2HG2 THR 24 5.745 -8.151 -1.782 139 2HG2 THR 24 3HG2 THR 24 4.568 -7.919 -3.088 140 3HG2 THR 24 1HG2 THR 24 6.202 -7.266 -3.239 141 H CYS 25 H CYS 25 2.889 -6.446 1.510 142 HA CYS 25 HA CYS 25 2.584 -3.584 1.897 143 1HB CYS 25 1HB CYS 25 1.209 -5.629 2.859 144 2HB CYS 25 2HB CYS 25 2.387 -5.570 4.164 145 H GLN 26 H GLN 26 3.750 -2.178 3.213 146 HA GLN 26 HA GLN 26 6.577 -2.839 3.878 147 1HB GLN 26 1HB GLN 26 6.456 -2.690 1.481 148 2HB GLN 26 2HB GLN 26 5.413 -1.275 1.534 149 1HG GLN 26 2HG GLN 26 7.543 -0.572 0.714 150 2HG GLN 26 1HG GLN 26 7.306 0.141 2.275 151 1HE2 GLN 26 2HE2 GLN 26 9.922 -2.814 2.878 152 2HE2 GLN 26 1HE2 GLN 26 8.201 -3.184 2.693 153 H VAL 27 H VAL 27 7.866 -0.777 4.340 154 HA VAL 27 HA VAL 27 6.266 1.560 5.237 155 HB VAL 27 HB VAL 27 6.761 0.394 7.269 156 1HG1 VAL 27 3HG2 VAL 27 8.765 -0.946 6.583 157 2HG1 VAL 27 1HG2 VAL 27 9.748 0.525 6.661 158 3HG1 VAL 27 2HG2 VAL 27 8.978 -0.096 8.116 159 1HG2 VAL 27 2HG1 VAL 27 6.914 2.900 7.168 160 2HG2 VAL 27 3HG1 VAL 27 7.845 2.166 8.498 161 3HG2 VAL 27 1HG1 VAL 27 8.681 2.751 7.044 162 H LEU 28 H LEU 28 6.803 3.167 3.821 163 HA LEU 28 HA LEU 28 9.697 3.659 3.143 164 1HB LEU 28 1HB LEU 28 7.070 4.851 2.188 165 2HB LEU 28 2HB LEU 28 8.591 5.719 2.002 166 HG LEU 28 HG LEU 28 9.577 3.921 0.711 167 1HD1 LEU 28 3HD1 LEU 28 6.914 2.487 1.072 168 2HD1 LEU 28 1HD1 LEU 28 8.110 2.065 -0.170 169 3HD1 LEU 28 2HD1 LEU 28 8.541 1.922 1.532 170 1HD2 LEU 28 3HD2 LEU 28 8.349 5.703 -0.462 171 2HD2 LEU 28 1HD2 LEU 28 8.196 4.164 -1.321 172 3HD2 LEU 28 2HD2 LEU 28 6.846 4.766 -0.344 173 H ASN 29 H ASN 29 7.526 6.305 3.884 174 HA ASN 29 HA ASN 29 8.690 6.758 6.586 175 1HB ASN 29 1HB ASN 29 7.152 8.683 6.669 176 2HB ASN 29 2HB ASN 29 8.153 8.733 5.224 177 1HD2 ASN 29 1HD2 ASN 29 4.228 8.791 4.678 178 2HD2 ASN 29 2HD2 ASN 29 4.965 9.202 6.226 179 HA PRO 30 HA PRO 30 5.777 4.108 8.767 180 1HB PRO 30 2HB PRO 30 4.592 5.885 10.621 181 2HB PRO 30 1HB PRO 30 6.120 4.994 10.818 182 1HG PRO 30 1HG PRO 30 5.741 7.818 9.782 183 2HG PRO 30 2HG PRO 30 6.901 7.247 11.014 184 1HD PRO 30 2HD PRO 30 7.779 7.600 8.538 185 2HD PRO 30 1HD PRO 30 8.186 6.060 9.329 186 H TYR 31 H TYR 31 4.374 7.259 7.829 187 HA TYR 31 HA TYR 31 1.708 6.095 7.433 188 1HB TYR 31 1HB TYR 31 2.678 8.906 6.869 189 2HB TYR 31 2HB TYR 31 1.011 8.351 6.925 190 HD1 TYR 31 HD2 TYR 31 -0.032 7.604 9.105 191 HD2 TYR 31 HD1 TYR 31 3.904 9.381 8.927 192 HE1 TYR 31 HE2 TYR 31 -0.129 8.085 11.548 193 HE2 TYR 31 HE1 TYR 31 3.807 9.819 11.381 194 HH TYR 31 HH TYR 31 0.949 8.959 13.320 195 H TYR 32 H TYR 32 4.102 5.333 5.490 196 HA TYR 32 HA TYR 32 2.173 5.108 3.276 197 1HB TYR 32 1HB TYR 32 3.745 7.176 3.013 198 2HB TYR 32 2HB TYR 32 4.901 6.001 2.418 199 HD1 TYR 32 HD2 TYR 32 3.343 4.173 0.704 200 HD2 TYR 32 HD1 TYR 32 2.900 8.441 1.287 201 HE1 TYR 32 HE2 TYR 32 2.513 4.430 -1.636 202 HE2 TYR 32 HE1 TYR 32 2.077 8.660 -1.042 203 HH TYR 32 HH TYR 32 1.612 7.600 -2.967 204 H SER 33 H SER 33 1.913 3.036 3.549 205 HA SER 33 HA SER 33 4.095 1.068 3.014 206 1HB SER 33 1HB SER 33 2.501 0.623 4.866 207 2HB SER 33 2HB SER 33 1.145 0.641 3.707 208 HG SER 33 HG SER 33 2.349 -1.444 4.297 209 H GLN 34 H GLN 34 4.436 0.480 0.931 210 HA GLN 34 HA GLN 34 2.662 1.717 -1.110 211 1HB GLN 34 1HB GLN 34 4.849 2.715 -0.524 212 2HB GLN 34 2HB GLN 34 5.643 1.264 -1.096 213 1HG GLN 34 1HG GLN 34 3.817 2.222 -3.184 214 2HG GLN 34 2HG GLN 34 4.680 3.616 -2.563 215 1HE2 GLN 34 2HE2 GLN 34 6.577 2.064 -5.385 216 2HE2 GLN 34 1HE2 GLN 34 4.944 2.711 -5.254 217 H CYS 35 H CYS 35 5.098 -0.030 -2.700 218 HA CYS 35 HA CYS 35 3.338 -2.172 -3.689 219 1HB CYS 35 1HB CYS 35 2.111 -0.209 -4.467 220 2HB CYS 35 2HB CYS 35 3.576 0.482 -5.164 221 H LEU 36 H LEU 36 5.067 -3.557 -3.690 222 HA LEU 36 HA LEU 36 7.545 -2.895 -5.221 223 1HB LEU 36 1HB LEU 36 7.396 -4.773 -2.845 224 2HB LEU 36 2HB LEU 36 8.800 -4.080 -3.628 225 HG LEU 36 HG LEU 36 8.660 -3.052 -1.559 226 1HD1 LEU 36 2HD1 LEU 36 9.132 -1.456 -3.363 227 2HD1 LEU 36 3HD1 LEU 36 7.430 -0.972 -3.388 228 3HD1 LEU 36 1HD1 LEU 36 8.398 -0.696 -1.941 229 1HD2 LEU 36 2HD2 LEU 36 5.653 -2.732 -1.882 230 2HD2 LEU 36 3HD2 LEU 36 6.589 -3.603 -0.680 231 3HD2 LEU 36 1HD2 LEU 36 6.592 -1.836 -0.724 No H/Q in entry = 231 Start of MODEL 4 1 1H THR 1 2H THR 1 -3.516 -6.688 -14.198 2 2H THR 1 3H THR 1 -2.500 -6.043 -13.081 3 3H THR 1 1H THR 1 -1.881 -6.912 -14.332 4 HA THR 1 HA THR 1 -2.805 -8.937 -13.407 5 HB THR 1 HB THR 1 -1.586 -8.959 -11.179 6 HG1 THR 1 HG1 THR 1 -0.502 -6.916 -10.706 7 1HG2 THR 1 2HG2 THR 1 -0.261 -9.250 -13.305 8 2HG2 THR 1 3HG2 THR 1 0.034 -7.495 -13.329 9 3HG2 THR 1 1HG2 THR 1 0.644 -8.482 -11.998 10 H GLN 2 H GLN 2 -4.042 -10.050 -11.648 11 HA GLN 2 HA GLN 2 -6.362 -8.672 -10.619 12 1HB GLN 2 2HB GLN 2 -6.480 -11.006 -11.055 13 2HB GLN 2 1HB GLN 2 -5.058 -11.367 -10.071 14 1HG GLN 2 1HG GLN 2 -7.189 -12.006 -8.970 15 2HG GLN 2 2HG GLN 2 -6.248 -10.884 -8.004 16 1HE2 GLN 2 2HE2 GLN 2 -9.043 -8.724 -7.819 17 2HE2 GLN 2 1HE2 GLN 2 -7.520 -9.174 -7.071 18 H SER 3 H SER 3 -6.239 -7.110 -9.058 19 HA SER 3 HA SER 3 -3.954 -6.780 -7.332 20 1HB SER 3 1HB SER 3 -5.374 -4.931 -8.229 21 2HB SER 3 2HB SER 3 -6.598 -5.351 -7.009 22 HG SER 3 HG SER 3 -4.806 -3.728 -6.431 23 H HIS 4 H HIS 4 -3.482 -8.019 -5.647 24 HA HIS 4 HA HIS 4 -5.571 -9.249 -3.908 25 1HB HIS 4 1HB HIS 4 -3.862 -10.694 -4.795 26 2HB HIS 4 2HB HIS 4 -2.574 -9.661 -4.193 27 HD2 HIS 4 HD2 HIS 4 -4.885 -12.511 -2.982 28 HE1 HIS 4 HE1 HIS 4 -2.541 -11.249 0.315 29 HE2 HIS 4 HE2 HIS 4 -4.167 -13.029 -0.496 30 H ALA 5 H ALA 5 -2.416 -7.770 -3.132 31 HA ALA 5 HA ALA 5 -3.775 -5.601 -1.615 32 1HB ALA 5 2HB ALA 5 -3.078 -7.327 0.047 33 2HB ALA 5 3HB ALA 5 -1.389 -7.041 -0.423 34 3HB ALA 5 1HB ALA 5 -2.341 -5.728 0.268 35 H GLY 6 H GLY 6 -3.349 -4.028 -3.045 36 1HA GLY 6 1HA GLY 6 -0.550 -3.189 -3.692 37 2HA GLY 6 2HA GLY 6 -2.060 -2.393 -4.142 38 H GLN 7 H GLN 7 -1.626 -0.337 -3.188 39 HA GLN 7 HA GLN 7 -0.540 0.226 -0.684 40 1HB GLN 7 1HB GLN 7 -0.814 1.822 -2.507 41 2HB GLN 7 2HB GLN 7 -2.558 1.874 -2.207 42 1HG GLN 7 1HG GLN 7 -2.044 2.712 0.151 43 2HG GLN 7 2HG GLN 7 -0.339 2.702 -0.268 44 1HE2 GLN 7 2HE2 GLN 7 -1.827 6.128 -0.758 45 2HE2 GLN 7 1HE2 GLN 7 -1.823 5.041 0.633 46 H CYS 8 H CYS 8 -1.431 -1.475 0.628 47 HA CYS 8 HA CYS 8 -3.861 -1.469 2.052 48 1HB CYS 8 1HB CYS 8 -2.459 -2.335 3.938 49 2HB CYS 8 2HB CYS 8 -2.114 -3.137 2.405 50 H GLY 9 H GLY 9 -1.072 0.690 2.472 51 1HA GLY 9 2HA GLY 9 -1.040 2.779 3.499 52 2HA GLY 9 1HA GLY 9 -2.531 2.472 4.365 53 H GLY 10 H GLY 10 -0.169 3.486 5.550 54 1HA GLY 10 1HA GLY 10 0.726 1.316 7.455 55 2HA GLY 10 2HA GLY 10 1.723 2.681 6.978 56 H ILE 11 H ILE 11 1.803 4.169 8.664 57 HA ILE 11 HA ILE 11 -0.314 4.333 10.679 58 HB ILE 11 HB ILE 11 1.972 6.266 10.232 59 1HG1 ILE 11 2HG1 ILE 11 1.856 3.854 12.109 60 2HG1 ILE 11 1HG1 ILE 11 2.792 3.926 10.611 61 1HG2 ILE 11 2HG2 ILE 11 0.066 7.114 11.662 62 2HG2 ILE 11 3HG2 ILE 11 0.231 5.681 12.687 63 3HG2 ILE 11 1HG2 ILE 11 1.523 6.890 12.608 64 1HD1 ILE 11 2HD1 ILE 11 4.058 5.893 11.522 65 2HD1 ILE 11 3HD1 ILE 11 3.267 5.620 13.089 66 3HD1 ILE 11 1HD1 ILE 11 4.307 4.372 12.401 67 H GLY 12 H GLY 12 -2.060 5.685 10.741 68 1HA GLY 12 2HA GLY 12 -3.535 7.386 10.301 69 2HA GLY 12 1HA GLY 12 -2.186 8.290 9.628 70 H TYR 13 H TYR 13 -2.717 5.454 7.781 71 HA TYR 13 HA TYR 13 -4.480 6.877 5.813 72 1HB TYR 13 1HB TYR 13 -1.790 6.896 5.585 73 2HB TYR 13 2HB TYR 13 -2.080 5.347 4.837 74 HD1 TYR 13 HD2 TYR 13 -4.711 6.024 3.320 75 HD2 TYR 13 HD1 TYR 13 -1.046 8.268 3.832 76 HE1 TYR 13 HE2 TYR 13 -4.857 6.845 0.991 77 HE2 TYR 13 HE1 TYR 13 -1.152 8.945 1.433 78 HH TYR 13 HH TYR 13 -3.537 7.485 -0.789 79 H SER 14 H SER 14 -6.223 5.591 5.396 80 HA SER 14 HA SER 14 -6.022 2.703 4.832 81 1HB SER 14 2HB SER 14 -5.895 2.503 7.191 82 2HB SER 14 1HB SER 14 -7.160 3.708 7.463 83 HG SER 14 HG SER 14 -8.668 2.267 6.582 84 H GLY 15 H GLY 15 -7.220 2.849 2.939 85 1HA GLY 15 2HA GLY 15 -9.976 2.737 2.869 86 2HA GLY 15 1HA GLY 15 -9.640 4.469 2.719 87 HA PRO 16 HA PRO 16 -9.802 2.728 -1.623 88 1HB PRO 16 2HB PRO 16 -11.238 5.370 -1.895 89 2HB PRO 16 1HB PRO 16 -11.577 3.823 -2.716 90 1HG PRO 16 2HG PRO 16 -13.095 4.586 -0.612 91 2HG PRO 16 1HG PRO 16 -12.477 2.909 -0.633 92 1HD PRO 16 2HD PRO 16 -11.264 5.318 0.786 93 2HD PRO 16 1HD PRO 16 -11.685 3.725 1.470 94 H THR 17 H THR 17 -7.404 3.226 -1.131 95 HA THR 17 HA THR 17 -6.405 5.363 -3.027 96 HB THR 17 HB THR 17 -6.023 5.946 -0.659 97 HG1 THR 17 HG1 THR 17 -3.732 5.255 -2.179 98 1HG2 THR 17 3HG2 THR 17 -4.395 3.346 -0.608 99 2HG2 THR 17 1HG2 THR 17 -4.227 4.612 0.597 100 3HG2 THR 17 2HG2 THR 17 -5.755 3.759 0.434 101 H VAL 18 H VAL 18 -6.980 2.351 -3.293 102 HA VAL 18 HA VAL 18 -4.506 1.013 -2.982 103 HB VAL 18 HB VAL 18 -6.748 0.080 -2.555 104 1HG1 VAL 18 2HG1 VAL 18 -7.899 0.707 -4.681 105 2HG1 VAL 18 3HG1 VAL 18 -6.884 -0.455 -5.561 106 3HG1 VAL 18 1HG1 VAL 18 -8.007 -1.022 -4.315 107 1HG2 VAL 18 2HG2 VAL 18 -4.714 -1.322 -2.590 108 2HG2 VAL 18 3HG2 VAL 18 -6.158 -2.202 -3.106 109 3HG2 VAL 18 1HG2 VAL 18 -4.981 -1.668 -4.313 110 H CYS 19 H CYS 19 -3.166 -0.013 -4.322 111 HA CYS 19 HA CYS 19 -2.729 1.007 -7.063 112 1HB CYS 19 1HB CYS 19 -0.951 1.107 -5.390 113 2HB CYS 19 2HB CYS 19 -1.095 -0.616 -5.081 114 H ALA 20 H ALA 20 -1.739 -0.721 -8.584 115 HA ALA 20 HA ALA 20 -3.307 -3.091 -9.079 116 1HB ALA 20 2HB ALA 20 -1.921 -1.944 -10.798 117 2HB ALA 20 3HB ALA 20 -0.453 -2.375 -9.897 118 3HB ALA 20 1HB ALA 20 -1.459 -3.648 -10.620 119 H SER 21 H SER 21 -1.916 -5.310 -9.152 120 HA SER 21 HA SER 21 -1.866 -6.040 -6.393 121 1HB SER 21 1HB SER 21 -2.309 -7.457 -8.656 122 2HB SER 21 2HB SER 21 -0.643 -7.953 -8.376 123 HG SER 21 HG SER 21 -2.448 -9.162 -7.257 124 H GLY 22 H GLY 22 -0.321 -6.935 -5.087 125 1HA GLY 22 1HA GLY 22 2.542 -7.078 -5.802 126 2HA GLY 22 2HA GLY 22 2.132 -5.920 -4.534 127 H THR 23 H THR 23 0.316 -7.078 -3.023 128 HA THR 23 HA THR 23 -0.142 -8.559 -1.338 129 HB THR 23 HB THR 23 1.710 -10.592 -2.638 130 HG1 THR 23 HG1 THR 23 -1.116 -10.433 -2.508 131 1HG2 THR 23 3HG2 THR 23 -0.169 -10.774 -0.258 132 2HG2 THR 23 1HG2 THR 23 0.151 -12.175 -1.303 133 3HG2 THR 23 2HG2 THR 23 1.476 -11.418 -0.434 134 H THR 24 H THR 24 1.887 -6.520 -1.462 135 HA THR 24 HA THR 24 3.913 -7.273 0.609 136 HB THR 24 HB THR 24 5.439 -5.828 -0.792 137 HG1 THR 24 HG1 THR 24 4.538 -5.787 -3.071 138 1HG2 THR 24 2HG2 THR 24 5.497 -8.308 -0.947 139 2HG2 THR 24 3HG2 THR 24 4.257 -8.264 -2.204 140 3HG2 THR 24 1HG2 THR 24 5.837 -7.549 -2.510 141 H CYS 25 H CYS 25 2.286 -6.293 2.089 142 HA CYS 25 HA CYS 25 2.017 -3.388 2.089 143 1HB CYS 25 1HB CYS 25 0.323 -4.957 3.021 144 2HB CYS 25 2HB CYS 25 1.446 -5.366 4.327 145 H GLN 26 H GLN 26 4.497 -3.354 1.714 146 HA GLN 26 HA GLN 26 5.835 -2.775 4.316 147 1HB GLN 26 1HB GLN 26 7.601 -3.984 3.855 148 2HB GLN 26 2HB GLN 26 6.671 -4.724 2.599 149 1HG GLN 26 2HG GLN 26 8.672 -4.177 1.528 150 2HG GLN 26 1HG GLN 26 7.594 -2.874 1.031 151 1HE2 GLN 26 1HE2 GLN 26 10.230 -0.746 1.990 152 2HE2 GLN 26 2HE2 GLN 26 9.505 -1.515 0.575 153 H VAL 27 H VAL 27 7.714 -1.224 4.000 154 HA VAL 27 HA VAL 27 6.079 1.183 3.585 155 HB VAL 27 HB VAL 27 7.365 -0.024 5.771 156 1HG1 VAL 27 3HG2 VAL 27 9.563 0.891 5.080 157 2HG1 VAL 27 1HG2 VAL 27 8.900 2.537 5.233 158 3HG1 VAL 27 2HG2 VAL 27 8.995 1.478 6.651 159 1HG2 VAL 27 2HG1 VAL 27 5.359 1.307 5.832 160 2HG2 VAL 27 3HG1 VAL 27 6.546 1.810 7.049 161 3HG2 VAL 27 1HG1 VAL 27 6.308 2.780 5.569 162 H LEU 28 H LEU 28 6.749 3.106 2.805 163 HA LEU 28 HA LEU 28 9.461 3.410 1.493 164 1HB LEU 28 1HB LEU 28 6.836 4.940 1.233 165 2HB LEU 28 2HB LEU 28 8.380 5.662 0.795 166 HG LEU 28 HG LEU 28 8.815 4.027 -0.906 167 1HD1 LEU 28 1HD2 LEU 28 6.272 2.643 0.030 168 2HD1 LEU 28 2HD2 LEU 28 7.043 2.333 -1.537 169 3HD1 LEU 28 3HD2 LEU 28 7.913 1.964 -0.053 170 1HD2 LEU 28 2HD1 LEU 28 7.410 5.971 -1.503 171 2HD2 LEU 28 3HD1 LEU 28 6.952 4.547 -2.446 172 3HD2 LEU 28 1HD1 LEU 28 5.949 5.059 -1.081 173 H ASN 29 H ASN 29 7.240 5.463 3.327 174 HA ASN 29 HA ASN 29 9.098 5.579 5.633 175 1HB ASN 29 1HB ASN 29 7.341 7.902 4.673 176 2HB ASN 29 2HB ASN 29 8.321 7.871 6.142 177 1HD2 ASN 29 1HD2 ASN 29 10.168 8.571 2.581 178 2HD2 ASN 29 2HD2 ASN 29 8.502 7.981 2.564 179 HA PRO 30 HA PRO 30 5.705 3.718 7.934 180 1HB PRO 30 2HB PRO 30 5.913 6.208 9.649 181 2HB PRO 30 1HB PRO 30 5.611 4.523 10.166 182 1HG PRO 30 2HG PRO 30 8.135 5.473 10.275 183 2HG PRO 30 1HG PRO 30 7.850 3.862 9.567 184 1HD PRO 30 2HD PRO 30 8.350 6.477 8.141 185 2HD PRO 30 1HD PRO 30 8.958 4.837 7.760 186 H TYR 31 H TYR 31 5.200 7.097 7.084 187 HA TYR 31 HA TYR 31 2.281 6.717 6.587 188 1HB TYR 31 2HB TYR 31 3.871 9.281 6.358 189 2HB TYR 31 1HB TYR 31 2.132 9.065 6.436 190 HD1 TYR 31 HD1 TYR 31 5.335 9.048 8.337 191 HD2 TYR 31 HD2 TYR 31 1.027 8.901 8.638 192 HE1 TYR 31 HE1 TYR 31 5.491 9.331 10.808 193 HE2 TYR 31 HE2 TYR 31 1.200 9.238 11.099 194 HH TYR 31 HH TYR 31 2.595 9.376 12.874 195 H TYR 32 H TYR 32 3.345 6.279 3.084 196 HA TYR 32 HA TYR 32 1.819 4.994 5.331 197 1HB TYR 32 1HB TYR 32 0.123 4.514 3.529 198 2HB TYR 32 2HB TYR 32 0.341 6.172 3.936 199 HD1 TYR 32 HD2 TYR 32 1.280 3.638 1.301 200 HD2 TYR 32 HD1 TYR 32 0.878 7.825 2.315 201 HE1 TYR 32 HE2 TYR 32 1.866 4.277 -1.029 202 HE2 TYR 32 HE1 TYR 32 1.309 8.424 -0.049 203 HH TYR 32 HH TYR 32 1.928 7.691 -2.057 204 H SER 33 H SER 33 1.063 2.776 3.451 205 HA SER 33 HA SER 33 3.642 1.365 2.978 206 1HB SER 33 1HB SER 33 2.866 0.590 5.168 207 2HB SER 33 2HB SER 33 1.314 0.108 4.468 208 HG SER 33 HG SER 33 2.841 -1.649 4.543 209 H GLN 34 H GLN 34 3.700 0.196 1.113 210 HA GLN 34 HA GLN 34 1.589 1.250 -0.738 211 1HB GLN 34 1HB GLN 34 3.593 2.561 -0.415 212 2HB GLN 34 2HB GLN 34 4.592 1.260 -1.011 213 1HG GLN 34 1HG GLN 34 2.334 2.107 -2.843 214 2HG GLN 34 2HG GLN 34 3.507 3.376 -2.498 215 1HE2 GLN 34 2HE2 GLN 34 4.717 1.734 -5.524 216 2HE2 GLN 34 1HE2 GLN 34 3.315 2.734 -5.117 217 H CYS 35 H CYS 35 4.079 -0.298 -2.524 218 HA CYS 35 HA CYS 35 2.396 -2.605 -3.311 219 1HB CYS 35 1HB CYS 35 1.227 -0.492 -4.074 220 2HB CYS 35 2HB CYS 35 2.630 -0.116 -5.060 221 H LEU 36 H LEU 36 4.424 -3.771 -3.038 222 HA LEU 36 HA LEU 36 6.677 -3.061 -4.888 223 1HB LEU 36 1HB LEU 36 6.768 -4.550 -2.238 224 2HB LEU 36 2HB LEU 36 8.125 -4.092 -3.253 225 HG LEU 36 HG LEU 36 8.208 -2.604 -1.504 226 1HD1 LEU 36 3HD2 LEU 36 8.427 -1.488 -3.704 227 2HD1 LEU 36 1HD2 LEU 36 6.722 -1.027 -3.640 228 3HD1 LEU 36 2HD2 LEU 36 7.850 -0.380 -2.444 229 1HD2 LEU 36 2HD1 LEU 36 5.931 -3.082 -0.563 230 2HD2 LEU 36 3HD1 LEU 36 6.430 -1.384 -0.454 231 3HD2 LEU 36 1HD1 LEU 36 5.270 -1.887 -1.672 No H/Q in entry = 231 Start of MODEL 5 1 1H THR 1 3H THR 1 -4.514 -7.572 -11.495 2 2H THR 1 1H THR 1 -4.658 -5.972 -11.202 3 3H THR 1 2H THR 1 -3.251 -6.779 -10.804 4 HA THR 1 HA THR 1 -4.389 -8.048 -9.147 5 HB THR 1 HB THR 1 -3.432 -5.941 -8.362 6 HG1 THR 1 HG1 THR 1 -4.590 -5.864 -6.527 7 1HG2 THR 1 2HG2 THR 1 -4.639 -4.274 -9.770 8 2HG2 THR 1 3HG2 THR 1 -6.127 -4.607 -8.841 9 3HG2 THR 1 1HG2 THR 1 -4.709 -3.922 -8.040 10 H GLN 2 H GLN 2 -6.282 -8.612 -7.944 11 HA GLN 2 HA GLN 2 -8.865 -7.310 -8.743 12 1HB GLN 2 2HB GLN 2 -8.827 -9.689 -9.396 13 2HB GLN 2 1HB GLN 2 -8.568 -10.166 -7.717 14 1HG GLN 2 1HG GLN 2 -10.964 -8.513 -8.712 15 2HG GLN 2 2HG GLN 2 -10.965 -10.270 -8.574 16 1HE2 GLN 2 2HE2 GLN 2 -11.719 -8.191 -5.253 17 2HE2 GLN 2 1HE2 GLN 2 -11.511 -7.334 -6.779 18 H SER 3 H SER 3 -7.861 -9.293 -5.925 19 HA SER 3 HA SER 3 -8.168 -6.942 -4.096 20 1HB SER 3 1HB SER 3 -8.465 -8.557 -2.338 21 2HB SER 3 2HB SER 3 -9.531 -9.009 -3.679 22 HG SER 3 HG SER 3 -7.162 -10.265 -2.793 23 H HIS 4 H HIS 4 -5.698 -8.491 -5.762 24 HA HIS 4 HA HIS 4 -3.646 -8.818 -3.828 25 1HB HIS 4 1HB HIS 4 -3.168 -8.113 -6.746 26 2HB HIS 4 2HB HIS 4 -2.176 -9.072 -5.663 27 HD2 HIS 4 HD2 HIS 4 -2.907 -11.756 -5.487 28 HE1 HIS 4 HE1 HIS 4 -6.191 -11.505 -8.157 29 HE2 HIS 4 HE2 HIS 4 -4.712 -13.113 -6.839 30 H ALA 5 H ALA 5 -3.671 -6.984 -2.462 31 HA ALA 5 HA ALA 5 -3.838 -4.371 -3.010 32 1HB ALA 5 2HB ALA 5 -3.738 -5.369 -0.752 33 2HB ALA 5 3HB ALA 5 -1.972 -5.514 -0.883 34 3HB ALA 5 1HB ALA 5 -2.735 -3.915 -0.878 35 H GLY 6 H GLY 6 -2.685 -2.622 -3.638 36 1HA GLY 6 1HA GLY 6 0.246 -2.865 -4.332 37 2HA GLY 6 2HA GLY 6 -0.823 -1.575 -4.853 38 H GLN 7 H GLN 7 -0.938 0.270 -3.508 39 HA GLN 7 HA GLN 7 0.445 0.358 -0.921 40 1HB GLN 7 1HB GLN 7 0.274 2.302 -2.523 41 2HB GLN 7 2HB GLN 7 -1.449 2.335 -2.169 42 1HG GLN 7 1HG GLN 7 -0.846 2.692 0.289 43 2HG GLN 7 2HG GLN 7 0.800 2.964 -0.267 44 1HE2 GLN 7 2HE2 GLN 7 -1.710 6.029 -0.488 45 2HE2 GLN 7 1HE2 GLN 7 -2.182 4.514 0.309 46 H CYS 8 H CYS 8 -0.435 -1.126 0.428 47 HA CYS 8 HA CYS 8 -3.075 -1.895 0.867 48 1HB CYS 8 2HB CYS 8 -2.210 -2.706 3.081 49 2HB CYS 8 1HB CYS 8 -1.209 -3.140 1.698 50 H GLY 9 H GLY 9 -1.491 0.859 2.413 51 1HA GLY 9 1HA GLY 9 -2.755 2.695 3.502 52 2HA GLY 9 2HA GLY 9 -3.977 1.540 3.999 53 H GLY 10 H GLY 10 -0.999 3.006 4.849 54 1HA GLY 10 1HA GLY 10 -0.083 0.941 6.761 55 2HA GLY 10 2HA GLY 10 0.725 2.444 6.362 56 H ILE 11 H ILE 11 0.086 4.400 7.467 57 HA ILE 11 HA ILE 11 -1.604 4.114 9.918 58 HB ILE 11 HB ILE 11 1.149 5.400 9.843 59 1HG1 ILE 11 2HG1 ILE 11 0.271 2.788 11.150 60 2HG1 ILE 11 1HG1 ILE 11 1.338 2.944 9.747 61 1HG2 ILE 11 2HG2 ILE 11 -0.483 6.505 11.385 62 2HG2 ILE 11 3HG2 ILE 11 -0.761 4.937 12.169 63 3HG2 ILE 11 1HG2 ILE 11 0.827 5.729 12.256 64 1HD1 ILE 11 2HD1 ILE 11 2.970 4.220 11.135 65 2HD1 ILE 11 3HD1 ILE 11 1.988 3.835 12.571 66 3HD1 ILE 11 1HD1 ILE 11 2.727 2.535 11.627 67 H GLY 12 H GLY 12 -3.117 5.712 9.999 68 1HA GLY 12 1HA GLY 12 -4.184 7.750 9.572 69 2HA GLY 12 2HA GLY 12 -2.729 8.405 8.830 70 H TYR 13 H TYR 13 -2.188 6.819 6.711 71 HA TYR 13 HA TYR 13 -4.380 6.987 4.804 72 1HB TYR 13 1HB TYR 13 -1.585 5.869 4.810 73 2HB TYR 13 2HB TYR 13 -2.695 5.142 3.677 74 HD1 TYR 13 HD1 TYR 13 -4.316 6.925 2.386 75 HD2 TYR 13 HD2 TYR 13 -0.347 7.715 3.885 76 HE1 TYR 13 HE1 TYR 13 -3.855 8.375 0.420 77 HE2 TYR 13 HE2 TYR 13 0.177 8.989 1.796 78 HH TYR 13 HH TYR 13 -2.288 9.536 -0.711 79 H SER 14 H SER 14 -5.979 5.583 4.317 80 HA SER 14 HA SER 14 -5.875 2.725 5.030 81 1HB SER 14 2HB SER 14 -6.660 3.687 7.104 82 2HB SER 14 1HB SER 14 -7.876 4.667 6.278 83 HG SER 14 HG SER 14 -9.080 2.849 5.929 84 H GLY 15 H GLY 15 -7.771 1.532 4.268 85 1HA GLY 15 2HA GLY 15 -9.314 0.903 2.679 86 2HA GLY 15 1HA GLY 15 -9.621 2.615 2.344 87 HA PRO 16 HA PRO 16 -7.886 0.249 -1.267 88 1HB PRO 16 2HB PRO 16 -9.995 1.814 -2.770 89 2HB PRO 16 1HB PRO 16 -9.526 0.103 -2.934 90 1HG PRO 16 2HG PRO 16 -11.763 0.778 -1.560 91 2HG PRO 16 1HG PRO 16 -10.646 -0.422 -0.845 92 1HD PRO 16 2HD PRO 16 -10.762 2.569 -0.270 93 2HD PRO 16 1HD PRO 16 -10.822 1.211 0.879 94 H THR 17 H THR 17 -6.113 2.138 -0.585 95 HA THR 17 HA THR 17 -5.782 4.172 -2.670 96 HB THR 17 HB THR 17 -3.668 4.657 -1.636 97 HG1 THR 17 HG1 THR 17 -3.537 2.223 -0.796 98 1HG2 THR 17 3HG2 THR 17 -5.804 5.521 -0.584 99 2HG2 THR 17 1HG2 THR 17 -5.752 4.146 0.538 100 3HG2 THR 17 2HG2 THR 17 -4.452 5.343 0.546 101 H VAL 18 H VAL 18 -6.177 1.860 -4.052 102 HA VAL 18 HA VAL 18 -3.956 0.153 -4.053 103 HB VAL 18 HB VAL 18 -6.306 -0.486 -4.155 104 1HG1 VAL 18 3HG2 VAL 18 -7.107 1.094 -5.904 105 2HG1 VAL 18 1HG2 VAL 18 -6.198 0.187 -7.128 106 3HG1 VAL 18 2HG2 VAL 18 -7.536 -0.587 -6.260 107 1HG2 VAL 18 2HG1 VAL 18 -4.509 -2.117 -4.661 108 2HG2 VAL 18 3HG1 VAL 18 -6.036 -2.481 -5.482 109 3HG2 VAL 18 1HG1 VAL 18 -4.698 -1.767 -6.393 110 H CYS 19 H CYS 19 -2.619 -0.722 -5.511 111 HA CYS 19 HA CYS 19 -1.989 0.572 -8.112 112 1HB CYS 19 1HB CYS 19 -0.493 1.722 -6.811 113 2HB CYS 19 2HB CYS 19 -0.267 0.455 -5.637 114 H ALA 20 H ALA 20 -0.098 -0.835 -9.145 115 HA ALA 20 HA ALA 20 -1.205 -3.131 -10.144 116 1HB ALA 20 2HB ALA 20 0.641 -1.865 -11.149 117 2HB ALA 20 3HB ALA 20 1.754 -2.423 -9.881 118 3HB ALA 20 1HB ALA 20 1.079 -3.576 -11.046 119 H SER 21 H SER 21 -0.066 -5.270 -10.233 120 HA SER 21 HA SER 21 -1.447 -6.518 -8.164 121 1HB SER 21 1HB SER 21 0.308 -7.832 -10.261 122 2HB SER 21 2HB SER 21 -1.087 -8.568 -9.477 123 HG SER 21 HG SER 21 -1.057 -7.141 -11.709 124 H GLY 22 H GLY 22 0.611 -5.499 -6.610 125 1HA GLY 22 2HA GLY 22 2.774 -7.227 -6.048 126 2HA GLY 22 1HA GLY 22 2.107 -5.966 -5.020 127 H THR 23 H THR 23 -0.145 -6.647 -4.185 128 HA THR 23 HA THR 23 -0.978 -7.278 -2.259 129 HB THR 23 HB THR 23 -1.444 -9.517 -3.272 130 HG1 THR 23 HG1 THR 23 -0.925 -9.325 -0.503 131 1HG2 THR 23 3HG2 THR 23 1.038 -10.334 -1.692 132 2HG2 THR 23 1HG2 THR 23 -0.293 -11.440 -2.045 133 3HG2 THR 23 2HG2 THR 23 0.623 -10.739 -3.369 134 H THR 24 H THR 24 1.754 -6.255 -2.541 135 HA THR 24 HA THR 24 3.060 -7.025 -0.018 136 HB THR 24 HB THR 24 4.865 -5.463 -1.034 137 HG1 THR 24 HG1 THR 24 4.735 -5.396 -3.297 138 1HG2 THR 24 2HG2 THR 24 4.994 -7.952 -0.951 139 2HG2 THR 24 3HG2 THR 24 4.127 -8.036 -2.504 140 3HG2 THR 24 1HG2 THR 24 5.730 -7.287 -2.408 141 H CYS 25 H CYS 25 3.134 -5.795 1.704 142 HA CYS 25 HA CYS 25 2.066 -2.983 1.712 143 1HB CYS 25 1HB CYS 25 0.601 -4.772 2.693 144 2HB CYS 25 2HB CYS 25 1.862 -5.133 3.867 145 H GLN 26 H GLN 26 4.407 -2.495 1.173 146 HA GLN 26 HA GLN 26 6.294 -2.897 3.454 147 1HB GLN 26 1HB GLN 26 6.731 -4.139 1.442 148 2HB GLN 26 2HB GLN 26 6.633 -2.682 0.453 149 1HG GLN 26 2HG GLN 26 8.955 -3.317 0.759 150 2HG GLN 26 1HG GLN 26 8.679 -1.782 1.576 151 1HE2 GLN 26 1HE2 GLN 26 9.729 -5.054 3.776 152 2HE2 GLN 26 2HE2 GLN 26 9.395 -5.202 2.040 153 H VAL 27 H VAL 27 7.539 -1.286 4.325 154 HA VAL 27 HA VAL 27 6.358 1.344 4.203 155 HB VAL 27 HB VAL 27 6.971 0.318 6.300 156 1HG1 VAL 27 3HG2 VAL 27 9.082 -0.826 5.676 157 2HG1 VAL 27 1HG2 VAL 27 9.898 0.740 5.538 158 3HG1 VAL 27 2HG2 VAL 27 9.291 0.195 7.101 159 1HG2 VAL 27 2HG1 VAL 27 6.782 2.789 6.085 160 2HG2 VAL 27 3HG1 VAL 27 7.853 2.273 7.399 161 3HG2 VAL 27 1HG1 VAL 27 8.547 2.888 5.892 162 H LEU 28 H LEU 28 6.916 3.161 3.171 163 HA LEU 28 HA LEU 28 9.764 3.661 2.286 164 1HB LEU 28 1HB LEU 28 7.123 5.031 1.618 165 2HB LEU 28 2HB LEU 28 8.674 5.840 1.419 166 HG LEU 28 HG LEU 28 9.473 4.018 -0.066 167 1HD1 LEU 28 3HD1 LEU 28 6.611 3.052 0.250 168 2HD1 LEU 28 1HD1 LEU 28 7.677 2.543 -1.081 169 3HD1 LEU 28 2HD1 LEU 28 8.088 2.125 0.574 170 1HD2 LEU 28 3HD2 LEU 28 8.516 6.116 -0.967 171 2HD2 LEU 28 1HD2 LEU 28 8.144 4.740 -2.010 172 3HD2 LEU 28 2HD2 LEU 28 6.893 5.395 -0.935 173 H ASN 29 H ASN 29 7.140 5.368 3.947 174 HA ASN 29 HA ASN 29 8.869 5.872 6.288 175 1HB ASN 29 1HB ASN 29 8.146 8.153 6.585 176 2HB ASN 29 2HB ASN 29 8.792 8.028 4.960 177 1HD2 ASN 29 1HD2 ASN 29 5.596 8.765 3.505 178 2HD2 ASN 29 2HD2 ASN 29 7.235 8.220 3.151 179 HA PRO 30 HA PRO 30 5.763 3.685 8.310 180 1HB PRO 30 2HB PRO 30 5.200 5.067 10.692 181 2HB PRO 30 1HB PRO 30 6.602 4.014 10.382 182 1HG PRO 30 1HG PRO 30 6.441 7.027 10.094 183 2HG PRO 30 2HG PRO 30 7.707 6.067 10.920 184 1HD PRO 30 2HD PRO 30 8.137 6.959 8.443 185 2HD PRO 30 1HD PRO 30 8.576 5.270 8.815 186 H TYR 31 H TYR 31 4.799 7.099 7.915 187 HA TYR 31 HA TYR 31 1.978 6.591 8.240 188 1HB TYR 31 1HB TYR 31 3.453 8.972 7.106 189 2HB TYR 31 2HB TYR 31 1.715 8.890 7.361 190 HD1 TYR 31 HD2 TYR 31 0.758 8.486 9.658 191 HD2 TYR 31 HD1 TYR 31 4.963 9.263 9.045 192 HE1 TYR 31 HE2 TYR 31 1.081 8.728 12.118 193 HE2 TYR 31 HE1 TYR 31 5.269 9.503 11.504 194 HH TYR 31 HH TYR 31 4.278 9.414 13.527 195 H TYR 32 H TYR 32 3.966 5.871 5.485 196 HA TYR 32 HA TYR 32 1.542 4.693 4.544 197 1HB TYR 32 1HB TYR 32 0.839 5.735 2.817 198 2HB TYR 32 2HB TYR 32 1.774 7.078 3.441 199 HD1 TYR 32 HD1 TYR 32 2.348 4.066 1.184 200 HD2 TYR 32 HD2 TYR 32 2.557 8.351 1.721 201 HE1 TYR 32 HE1 TYR 32 2.658 4.368 -1.250 202 HE2 TYR 32 HE2 TYR 32 2.770 8.629 -0.738 203 HH TYR 32 HH TYR 32 1.754 6.553 -2.802 204 H SER 33 H SER 33 1.698 2.797 4.058 205 HA SER 33 HA SER 33 4.212 1.432 3.304 206 1HB SER 33 1HB SER 33 3.054 0.675 5.308 207 2HB SER 33 2HB SER 33 1.555 0.421 4.392 208 HG SER 33 HG SER 33 3.006 -1.501 4.627 209 H GLN 34 H GLN 34 4.491 0.653 1.304 210 HA GLN 34 HA GLN 34 2.439 1.242 -0.755 211 1HB GLN 34 1HB GLN 34 4.332 2.816 -0.444 212 2HB GLN 34 2HB GLN 34 5.441 1.510 -0.887 213 1HG GLN 34 1HG GLN 34 4.553 1.465 -3.170 214 2HG GLN 34 2HG GLN 34 3.260 2.591 -2.749 215 1HE2 GLN 34 2HE2 GLN 34 5.452 5.330 -3.378 216 2HE2 GLN 34 1HE2 GLN 34 3.810 4.933 -2.906 217 H CYS 35 H CYS 35 2.728 0.388 -2.728 218 HA CYS 35 HA CYS 35 2.596 -2.321 -3.364 219 1HB CYS 35 1HB CYS 35 1.695 -0.125 -4.405 220 2HB CYS 35 2HB CYS 35 3.287 0.103 -5.096 221 H LEU 36 H LEU 36 5.053 -2.402 -2.071 222 HA LEU 36 HA LEU 36 7.146 -2.903 -4.184 223 1HB LEU 36 1HB LEU 36 7.298 -1.792 -1.386 224 2HB LEU 36 2HB LEU 36 8.635 -2.756 -2.004 225 HG LEU 36 HG LEU 36 9.046 -1.230 -3.814 226 1HD1 LEU 36 1HD2 LEU 36 6.606 0.280 -2.793 227 2HD1 LEU 36 2HD2 LEU 36 7.823 1.000 -3.870 228 3HD1 LEU 36 3HD2 LEU 36 6.878 -0.380 -4.424 229 1HD2 LEU 36 2HD1 LEU 36 10.065 -0.815 -1.587 230 2HD2 LEU 36 3HD1 LEU 36 9.787 0.705 -2.457 231 3HD2 LEU 36 1HD1 LEU 36 8.695 0.219 -1.145 No H/Q in entry = 231 Start of MODEL 6 1 1H THR 1 1H THR 1 -7.375 -10.477 -12.791 2 2H THR 1 2H THR 1 -7.073 -8.893 -12.566 3 3H THR 1 3H THR 1 -5.929 -9.850 -13.288 4 HA THR 1 HA THR 1 -5.581 -11.101 -11.310 5 HB THR 1 HB THR 1 -4.275 -8.989 -11.591 6 HG1 THR 1 HG1 THR 1 -3.486 -9.090 -9.548 7 1HG2 THR 1 2HG2 THR 1 -6.182 -7.341 -11.250 8 2HG2 THR 1 3HG2 THR 1 -6.207 -7.804 -9.530 9 3HG2 THR 1 1HG2 THR 1 -4.774 -7.035 -10.227 10 H GLN 2 H GLN 2 -5.801 -10.637 -8.679 11 HA GLN 2 HA GLN 2 -8.691 -10.408 -7.940 12 1HB GLN 2 1HB GLN 2 -6.952 -12.865 -7.470 13 2HB GLN 2 2HB GLN 2 -8.406 -12.532 -6.527 14 1HG GLN 2 1HG GLN 2 -8.386 -12.902 -9.563 15 2HG GLN 2 2HG GLN 2 -8.797 -14.130 -8.367 16 1HE2 GLN 2 2HE2 GLN 2 -11.579 -11.282 -9.166 17 2HE2 GLN 2 1HE2 GLN 2 -9.920 -10.962 -9.692 18 H SER 3 H SER 3 -5.508 -11.181 -6.444 19 HA SER 3 HA SER 3 -5.831 -9.363 -4.188 20 1HB SER 3 1HB SER 3 -3.379 -9.777 -3.960 21 2HB SER 3 2HB SER 3 -4.296 -11.283 -4.124 22 HG SER 3 HG SER 3 -2.747 -9.937 -6.079 23 H HIS 4 H HIS 4 -6.801 -7.726 -5.842 24 HA HIS 4 HA HIS 4 -5.160 -6.397 -7.761 25 1HB HIS 4 1HB HIS 4 -7.662 -6.554 -7.701 26 2HB HIS 4 2HB HIS 4 -7.667 -5.328 -6.435 27 HD2 HIS 4 HD2 HIS 4 -8.964 -4.943 -9.521 28 HE1 HIS 4 HE1 HIS 4 -5.970 -1.947 -9.726 29 HE2 HIS 4 HE2 HIS 4 -8.154 -2.751 -10.754 30 H ALA 5 H ALA 5 -6.137 -5.317 -4.496 31 HA ALA 5 HA ALA 5 -4.723 -2.843 -4.513 32 1HB ALA 5 2HB ALA 5 -6.625 -3.260 -3.040 33 2HB ALA 5 3HB ALA 5 -5.714 -4.505 -2.162 34 3HB ALA 5 1HB ALA 5 -5.194 -2.815 -2.101 35 H GLY 6 H GLY 6 -2.537 -2.816 -4.888 36 1HA GLY 6 1HA GLY 6 -0.530 -4.358 -3.535 37 2HA GLY 6 2HA GLY 6 -0.329 -2.750 -4.228 38 H GLN 7 H GLN 7 -1.736 -1.069 -2.880 39 HA GLN 7 HA GLN 7 -0.321 -0.554 -0.471 40 1HB GLN 7 1HB GLN 7 -1.265 1.167 -1.998 41 2HB GLN 7 2HB GLN 7 -2.887 0.665 -1.474 42 1HG GLN 7 2HG GLN 7 -1.788 1.229 0.966 43 2HG GLN 7 1HG GLN 7 -0.791 2.279 -0.026 44 1HE2 GLN 7 2HE2 GLN 7 -3.749 4.180 1.153 45 2HE2 GLN 7 1HE2 GLN 7 -2.296 3.487 1.886 46 H CYS 8 H CYS 8 -0.735 -2.616 0.663 47 HA CYS 8 HA CYS 8 -2.829 -3.629 1.989 48 1HB CYS 8 2HB CYS 8 -1.337 -4.026 3.933 49 2HB CYS 8 1HB CYS 8 -0.535 -4.335 2.391 50 H GLY 9 H GLY 9 -1.577 -0.444 2.912 51 1HA GLY 9 1HA GLY 9 -2.899 1.244 3.971 52 2HA GLY 9 2HA GLY 9 -3.874 0.033 4.789 53 H GLY 10 H GLY 10 -1.196 2.105 5.115 54 1HA GLY 10 1HA GLY 10 -0.026 0.693 7.516 55 2HA GLY 10 2HA GLY 10 0.828 1.847 6.518 56 H ILE 11 H ILE 11 1.272 2.726 8.791 57 HA ILE 11 HA ILE 11 -0.497 3.444 10.719 58 HB ILE 11 HB ILE 11 1.942 5.102 10.046 59 1HG1 ILE 11 2HG1 ILE 11 1.742 2.718 11.949 60 2HG1 ILE 11 1HG1 ILE 11 2.441 2.627 10.330 61 1HG2 ILE 11 2HG2 ILE 11 0.392 6.182 11.712 62 2HG2 ILE 11 3HG2 ILE 11 0.458 4.711 12.692 63 3HG2 ILE 11 1HG2 ILE 11 1.901 5.710 12.454 64 1HD1 ILE 11 2HD1 ILE 11 4.127 4.350 10.948 65 2HD1 ILE 11 3HD1 ILE 11 3.540 4.289 12.624 66 3HD1 ILE 11 1HD1 ILE 11 4.244 2.853 11.885 67 H GLY 12 H GLY 12 -2.488 4.272 10.174 68 1HA GLY 12 1HA GLY 12 -3.991 6.053 10.216 69 2HA GLY 12 2HA GLY 12 -2.718 7.192 9.799 70 H TYR 13 H TYR 13 -2.986 4.495 7.607 71 HA TYR 13 HA TYR 13 -4.704 6.068 5.732 72 1HB TYR 13 1HB TYR 13 -1.990 5.997 5.542 73 2HB TYR 13 2HB TYR 13 -2.388 4.635 4.532 74 HD1 TYR 13 HD2 TYR 13 -4.677 5.258 2.959 75 HD2 TYR 13 HD1 TYR 13 -1.699 8.031 4.434 76 HE1 TYR 13 HE2 TYR 13 -5.359 6.933 1.252 77 HE2 TYR 13 HE1 TYR 13 -2.314 9.628 2.624 78 HH TYR 13 HH TYR 13 -4.902 8.882 0.282 79 H SER 14 H SER 14 -6.456 4.971 5.416 80 HA SER 14 HA SER 14 -6.386 2.094 4.506 81 1HB SER 14 1HB SER 14 -8.638 3.469 6.043 82 2HB SER 14 2HB SER 14 -8.542 1.766 5.559 83 HG SER 14 HG SER 14 -6.482 1.790 6.841 84 H GLY 15 H GLY 15 -7.661 5.309 3.775 85 1HA GLY 15 2HA GLY 15 -9.446 4.546 1.639 86 2HA GLY 15 1HA GLY 15 -8.693 6.126 1.868 87 HA PRO 16 HA PRO 16 -6.666 3.453 -1.578 88 1HB PRO 16 1HB PRO 16 -7.875 4.261 -3.894 89 2HB PRO 16 2HB PRO 16 -8.535 2.998 -2.823 90 1HG PRO 16 1HG PRO 16 -9.239 5.957 -2.829 91 2HG PRO 16 2HG PRO 16 -10.375 4.586 -2.950 92 1HD PRO 16 2HD PRO 16 -9.911 5.729 -0.556 93 2HD PRO 16 1HD PRO 16 -9.972 3.950 -0.679 94 H THR 17 H THR 17 -4.730 4.411 -1.420 95 HA THR 17 HA THR 17 -4.158 6.298 -3.659 96 HB THR 17 HB THR 17 -3.633 7.639 -1.792 97 HG1 THR 17 HG1 THR 17 -1.432 7.924 -2.167 98 1HG2 THR 17 2HG2 THR 17 -3.434 5.880 -0.053 99 2HG2 THR 17 3HG2 THR 17 -1.852 5.428 -0.684 100 3HG2 THR 17 1HG2 THR 17 -2.122 7.049 -0.001 101 H VAL 18 H VAL 18 -4.551 4.130 -4.459 102 HA VAL 18 HA VAL 18 -2.838 2.001 -3.450 103 HB VAL 18 HB VAL 18 -5.129 1.873 -2.995 104 1HG1 VAL 18 2HG1 VAL 18 -6.125 3.037 -4.967 105 2HG1 VAL 18 3HG1 VAL 18 -5.754 1.623 -5.969 106 3HG1 VAL 18 1HG1 VAL 18 -6.886 1.481 -4.617 107 1HG2 VAL 18 3HG2 VAL 18 -3.816 -0.251 -3.382 108 2HG2 VAL 18 1HG2 VAL 18 -5.565 -0.404 -3.583 109 3HG2 VAL 18 2HG2 VAL 18 -4.521 -0.320 -5.006 110 H CYS 19 H CYS 19 -1.205 1.239 -4.487 111 HA CYS 19 HA CYS 19 -0.742 1.081 -7.330 112 1HB CYS 19 2HB CYS 19 1.005 1.067 -5.569 113 2HB CYS 19 1HB CYS 19 0.354 -0.447 -4.958 114 H ALA 20 H ALA 20 -0.595 -0.898 -8.596 115 HA ALA 20 HA ALA 20 -2.874 -2.688 -8.412 116 1HB ALA 20 2HB ALA 20 -1.917 -1.819 -10.547 117 2HB ALA 20 3HB ALA 20 -0.460 -2.800 -10.269 118 3HB ALA 20 1HB ALA 20 -2.036 -3.578 -10.521 119 H SER 21 H SER 21 -2.017 -5.125 -9.242 120 HA SER 21 HA SER 21 -1.878 -6.307 -6.703 121 1HB SER 21 1HB SER 21 -2.094 -8.440 -7.844 122 2HB SER 21 2HB SER 21 -3.227 -7.209 -8.412 123 HG SER 21 HG SER 21 -0.816 -7.896 -9.733 124 H GLY 22 H GLY 22 0.109 -5.655 -5.784 125 1HA GLY 22 2HA GLY 22 2.177 -7.844 -6.068 126 2HA GLY 22 1HA GLY 22 2.548 -6.244 -5.435 127 H THR 23 H THR 23 1.031 -5.577 -3.600 128 HA THR 23 HA THR 23 -0.043 -5.749 -1.620 129 HB THR 23 HB THR 23 -0.394 -8.738 -1.943 130 HG1 THR 23 HG1 THR 23 -2.220 -6.726 -2.773 131 1HG2 THR 23 3HG2 THR 23 -2.059 -6.570 -0.554 132 2HG2 THR 23 1HG2 THR 23 -2.481 -8.293 -0.657 133 3HG2 THR 23 2HG2 THR 23 -1.088 -7.785 0.293 134 H THR 24 H THR 24 2.587 -5.503 -1.611 135 HA THR 24 HA THR 24 3.762 -7.140 0.575 136 HB THR 24 HB THR 24 5.912 -6.194 -0.401 137 HG1 THR 24 HG1 THR 24 5.800 -5.368 -2.399 138 1HG2 THR 24 2HG2 THR 24 5.091 -8.496 -0.990 139 2HG2 THR 24 3HG2 THR 24 4.160 -7.801 -2.333 140 3HG2 THR 24 1HG2 THR 24 5.927 -7.701 -2.338 141 H CYS 25 H CYS 25 3.250 -6.118 2.446 142 HA CYS 25 HA CYS 25 2.865 -3.306 2.645 143 1HB CYS 25 1HB CYS 25 1.780 -5.365 3.907 144 2HB CYS 25 2HB CYS 25 3.075 -5.097 5.076 145 H GLN 26 H GLN 26 5.405 -3.359 1.823 146 HA GLN 26 HA GLN 26 6.972 -2.152 4.068 147 1HB GLN 26 1HB GLN 26 8.170 -3.913 2.922 148 2HB GLN 26 2HB GLN 26 7.826 -3.213 1.352 149 1HG GLN 26 2HG GLN 26 10.148 -2.816 1.979 150 2HG GLN 26 1HG GLN 26 9.306 -1.292 1.814 151 1HE2 GLN 26 1HE2 GLN 26 9.924 -2.148 5.746 152 2HE2 GLN 26 2HE2 GLN 26 8.847 -3.204 4.811 153 H VAL 27 H VAL 27 8.149 -0.073 3.373 154 HA VAL 27 HA VAL 27 5.922 1.688 2.438 155 HB VAL 27 HB VAL 27 5.765 1.214 4.778 156 1HG1 VAL 27 3HG2 VAL 27 8.118 0.629 5.354 157 2HG1 VAL 27 1HG2 VAL 27 8.598 2.321 5.119 158 3HG1 VAL 27 2HG2 VAL 27 7.484 1.880 6.420 159 1HG2 VAL 27 1HG1 VAL 27 5.280 3.542 3.911 160 2HG2 VAL 27 2HG1 VAL 27 5.674 3.438 5.641 161 3HG2 VAL 27 3HG1 VAL 27 6.894 4.015 4.489 162 H LEU 28 H LEU 28 6.245 3.620 1.617 163 HA LEU 28 HA LEU 28 8.876 4.702 0.868 164 1HB LEU 28 1HB LEU 28 5.976 5.607 0.644 165 2HB LEU 28 2HB LEU 28 7.287 6.746 0.366 166 HG LEU 28 HG LEU 28 8.170 5.502 -1.466 167 1HD1 LEU 28 1HD2 LEU 28 5.993 3.427 -0.972 168 2HD1 LEU 28 2HD2 LEU 28 7.078 3.507 -2.379 169 3HD1 LEU 28 3HD2 LEU 28 7.745 3.177 -0.787 170 1HD2 LEU 28 2HD1 LEU 28 6.307 7.068 -1.922 171 2HD2 LEU 28 3HD1 LEU 28 6.243 5.692 -3.034 172 3HD2 LEU 28 1HD1 LEU 28 5.129 5.768 -1.661 173 H ASN 29 H ASN 29 6.307 6.421 2.633 174 HA ASN 29 HA ASN 29 8.188 7.212 4.808 175 1HB ASN 29 1HB ASN 29 6.827 9.193 5.095 176 2HB ASN 29 2HB ASN 29 7.446 9.086 3.448 177 1HD2 ASN 29 1HD2 ASN 29 3.560 9.555 3.789 178 2HD2 ASN 29 2HD2 ASN 29 4.721 10.068 5.014 179 HA PRO 30 HA PRO 30 6.090 4.490 7.653 180 1HB PRO 30 2HB PRO 30 6.109 7.007 9.354 181 2HB PRO 30 1HB PRO 30 6.340 5.314 9.882 182 1HG PRO 30 2HG PRO 30 8.524 6.815 9.364 183 2HG PRO 30 1HG PRO 30 8.434 5.156 8.709 184 1HD PRO 30 2HD PRO 30 7.991 7.766 7.263 185 2HD PRO 30 1HD PRO 30 8.775 6.257 6.699 186 H TYR 31 H TYR 31 4.463 7.627 7.173 187 HA TYR 31 HA TYR 31 1.911 6.638 8.203 188 1HB TYR 31 1HB TYR 31 2.813 9.326 7.146 189 2HB TYR 31 2HB TYR 31 1.157 8.985 7.613 190 HD1 TYR 31 HD2 TYR 31 0.501 8.480 9.930 191 HD2 TYR 31 HD1 TYR 31 4.594 9.447 8.937 192 HE1 TYR 31 HE2 TYR 31 1.047 8.684 12.349 193 HE2 TYR 31 HE1 TYR 31 5.114 9.680 11.362 194 HH TYR 31 HH TYR 31 4.302 9.596 13.466 195 H TYR 32 H TYR 32 3.068 5.577 5.541 196 HA TYR 32 HA TYR 32 0.552 4.426 5.599 197 1HB TYR 32 2HB TYR 32 -0.311 4.326 3.414 198 2HB TYR 32 1HB TYR 32 -0.177 5.979 3.926 199 HD1 TYR 32 HD1 TYR 32 2.400 3.780 2.027 200 HD2 TYR 32 HD2 TYR 32 -0.060 7.332 2.025 201 HE1 TYR 32 HE1 TYR 32 2.037 3.550 -0.395 202 HE2 TYR 32 HE2 TYR 32 0.141 7.383 -0.465 203 HH TYR 32 HH TYR 32 -0.068 5.515 -2.213 204 H SER 33 H SER 33 0.738 2.570 3.381 205 HA SER 33 HA SER 33 3.465 1.657 3.199 206 1HB SER 33 1HB SER 33 2.985 0.576 5.292 207 2HB SER 33 2HB SER 33 1.502 -0.146 4.656 208 HG SER 33 HG SER 33 3.582 -1.461 4.600 209 H GLN 34 H GLN 34 3.810 0.061 1.475 210 HA GLN 34 HA GLN 34 1.791 0.747 -0.640 211 1HB GLN 34 1HB GLN 34 3.802 2.289 -0.322 212 2HB GLN 34 2HB GLN 34 4.775 1.004 -0.962 213 1HG GLN 34 1HG GLN 34 2.859 1.048 -2.926 214 2HG GLN 34 2HG GLN 34 2.590 2.656 -2.321 215 1HE2 GLN 34 2HE2 GLN 34 5.064 3.601 -4.657 216 2HE2 GLN 34 1HE2 GLN 34 3.410 3.860 -4.083 217 H CYS 35 H CYS 35 4.701 -0.688 -1.852 218 HA CYS 35 HA CYS 35 3.461 -3.125 -2.872 219 1HB CYS 35 1HB CYS 35 1.907 -1.267 -3.613 220 2HB CYS 35 2HB CYS 35 3.257 -0.535 -4.467 221 H LEU 36 H LEU 36 5.786 -3.620 -2.394 222 HA LEU 36 HA LEU 36 7.616 -3.046 -4.638 223 1HB LEU 36 1HB LEU 36 8.966 -2.770 -2.011 224 2HB LEU 36 2HB LEU 36 9.210 -1.932 -3.530 225 HG LEU 36 HG LEU 36 7.028 -0.603 -2.910 226 1HD1 LEU 36 3HD2 LEU 36 6.460 -2.173 -0.905 227 2HD1 LEU 36 1HD2 LEU 36 7.903 -1.517 -0.135 228 3HD1 LEU 36 2HD2 LEU 36 6.552 -0.447 -0.533 229 1HD2 LEU 36 1HD1 LEU 36 9.622 -0.234 -1.361 230 2HD2 LEU 36 2HD1 LEU 36 9.208 0.460 -2.944 231 3HD2 LEU 36 3HD1 LEU 36 8.321 0.968 -1.499 No H/Q in entry = 231 Start of MODEL 7 1 1H THR 1 2H THR 1 -6.869 -7.513 -11.644 2 2H THR 1 3H THR 1 -6.961 -5.981 -11.081 3 3H THR 1 1H THR 1 -5.648 -6.457 -11.982 4 HA THR 1 HA THR 1 -4.979 -8.011 -10.319 5 HB THR 1 HB THR 1 -4.094 -5.699 -10.128 6 HG1 THR 1 HG1 THR 1 -3.315 -6.079 -8.084 7 1HG2 THR 1 2HG2 THR 1 -6.177 -4.484 -9.470 8 2HG2 THR 1 3HG2 THR 1 -6.152 -5.311 -7.889 9 3HG2 THR 1 1HG2 THR 1 -4.835 -4.225 -8.349 10 H GLN 2 H GLN 2 -5.112 -8.184 -7.713 11 HA GLN 2 HA GLN 2 -7.829 -9.230 -7.041 12 1HB GLN 2 1HB GLN 2 -5.306 -10.814 -7.695 13 2HB GLN 2 2HB GLN 2 -6.375 -11.384 -6.424 14 1HG GLN 2 1HG GLN 2 -7.100 -12.559 -8.269 15 2HG GLN 2 2HG GLN 2 -8.310 -11.294 -8.072 16 1HE2 GLN 2 2HE2 GLN 2 -7.780 -11.455 -11.654 17 2HE2 GLN 2 1HE2 GLN 2 -8.607 -12.349 -10.383 18 H SER 3 H SER 3 -8.238 -8.779 -4.954 19 HA SER 3 HA SER 3 -8.039 -8.119 -2.792 20 1HB SER 3 1HB SER 3 -6.285 -8.689 -1.382 21 2HB SER 3 2HB SER 3 -6.151 -9.918 -2.640 22 HG SER 3 HG SER 3 -4.503 -8.501 -3.590 23 H HIS 4 H HIS 4 -6.737 -6.333 -1.382 24 HA HIS 4 HA HIS 4 -6.471 -3.907 -3.037 25 1HB HIS 4 1HB HIS 4 -7.557 -3.837 -0.812 26 2HB HIS 4 2HB HIS 4 -6.010 -4.247 -0.061 27 HD2 HIS 4 HD2 HIS 4 -6.769 -1.573 1.087 28 HE1 HIS 4 HE1 HIS 4 -4.779 0.355 -2.099 29 HE2 HIS 4 HE2 HIS 4 -5.708 0.693 0.225 30 H ALA 5 H ALA 5 -4.854 -5.144 -4.295 31 HA ALA 5 HA ALA 5 -2.254 -5.765 -3.351 32 1HB ALA 5 2HB ALA 5 -3.288 -6.786 -5.329 33 2HB ALA 5 3HB ALA 5 -3.236 -5.220 -6.167 34 3HB ALA 5 1HB ALA 5 -1.725 -6.053 -5.734 35 H GLY 6 H GLY 6 -1.148 -4.093 -2.333 36 1HA GLY 6 1HA GLY 6 0.793 -2.673 -3.274 37 2HA GLY 6 2HA GLY 6 -0.483 -1.579 -3.828 38 H GLN 7 H GLN 7 -0.927 0.089 -2.457 39 HA GLN 7 HA GLN 7 0.071 0.167 0.304 40 1HB GLN 7 1HB GLN 7 0.251 2.086 -1.057 41 2HB GLN 7 2HB GLN 7 -1.460 2.099 -1.442 42 1HG GLN 7 2HG GLN 7 -2.028 2.749 0.870 43 2HG GLN 7 1HG GLN 7 -0.366 2.549 1.375 44 1HE2 GLN 7 2HE2 GLN 7 -0.539 6.121 0.858 45 2HE2 GLN 7 1HE2 GLN 7 -0.795 4.907 2.111 46 H CYS 8 H CYS 8 -1.086 -1.857 0.666 47 HA CYS 8 HA CYS 8 -3.699 -2.467 0.802 48 1HB CYS 8 2HB CYS 8 -3.074 -4.170 2.415 49 2HB CYS 8 1HB CYS 8 -1.811 -3.983 1.201 50 H GLY 9 H GLY 9 -2.179 -0.431 3.177 51 1HA GLY 9 1HA GLY 9 -4.334 0.917 4.308 52 2HA GLY 9 2HA GLY 9 -4.221 -0.569 5.254 53 H GLY 10 H GLY 10 -2.712 2.521 4.614 54 1HA GLY 10 1HA GLY 10 -0.176 1.993 6.073 55 2HA GLY 10 2HA GLY 10 -0.758 3.538 5.446 56 H ILE 11 H ILE 11 0.323 2.984 8.235 57 HA ILE 11 HA ILE 11 -1.629 3.197 10.246 58 HB ILE 11 HB ILE 11 0.987 4.729 10.103 59 1HG1 ILE 11 2HG1 ILE 11 0.438 2.037 11.431 60 2HG1 ILE 11 1HG1 ILE 11 1.398 2.294 9.967 61 1HG2 ILE 11 2HG2 ILE 11 -0.606 5.621 11.891 62 2HG2 ILE 11 3HG2 ILE 11 -0.633 3.997 12.584 63 3HG2 ILE 11 1HG2 ILE 11 0.859 4.955 12.532 64 1HD1 ILE 11 2HD1 ILE 11 2.937 3.780 11.346 65 2HD1 ILE 11 3HD1 ILE 11 2.090 3.203 12.794 66 3HD1 ILE 11 1HD1 ILE 11 2.953 2.063 11.775 67 H GLY 12 H GLY 12 -3.409 4.281 9.116 68 1HA GLY 12 2HA GLY 12 -4.735 6.343 9.736 69 2HA GLY 12 1HA GLY 12 -3.372 7.305 9.181 70 H TYR 13 H TYR 13 -2.692 5.846 6.811 71 HA TYR 13 HA TYR 13 -4.865 6.714 5.016 72 1HB TYR 13 1HB TYR 13 -2.432 7.115 4.608 73 2HB TYR 13 2HB TYR 13 -2.281 5.436 4.122 74 HD1 TYR 13 HD1 TYR 13 -5.198 5.419 2.631 75 HD2 TYR 13 HD2 TYR 13 -1.761 8.075 2.524 76 HE1 TYR 13 HE1 TYR 13 -5.758 6.060 0.341 77 HE2 TYR 13 HE2 TYR 13 -2.362 8.683 0.180 78 HH TYR 13 HH TYR 13 -5.132 7.172 -1.488 79 H SER 14 H SER 14 -6.286 5.210 6.135 80 HA SER 14 HA SER 14 -6.396 2.381 5.246 81 1HB SER 14 1HB SER 14 -8.113 4.130 7.059 82 2HB SER 14 2HB SER 14 -8.518 2.453 6.664 83 HG SER 14 HG SER 14 -7.245 2.686 8.626 84 H GLY 15 H GLY 15 -6.616 2.897 2.856 85 1HA GLY 15 1HA GLY 15 -9.359 2.905 2.003 86 2HA GLY 15 2HA GLY 15 -8.700 4.543 1.856 87 HA PRO 16 HA PRO 16 -8.282 2.321 -2.229 88 1HB PRO 16 2HB PRO 16 -9.151 5.124 -2.992 89 2HB PRO 16 1HB PRO 16 -9.542 3.580 -3.794 90 1HG PRO 16 2HG PRO 16 -11.362 4.689 -2.136 91 2HG PRO 16 1HG PRO 16 -10.999 2.949 -1.965 92 1HD PRO 16 1HD PRO 16 -9.858 5.245 -0.331 93 2HD PRO 16 2HD PRO 16 -10.591 3.722 0.237 94 H THR 17 H THR 17 -6.374 2.186 -3.144 95 HA THR 17 HA THR 17 -4.738 3.989 -4.433 96 HB THR 17 HB THR 17 -4.198 5.275 -2.552 97 HG1 THR 17 HG1 THR 17 -1.898 4.533 -2.284 98 1HG2 THR 17 3HG2 THR 17 -3.507 2.721 -1.028 99 2HG2 THR 17 1HG2 THR 17 -3.237 4.398 -0.478 100 3HG2 THR 17 2HG2 THR 17 -4.854 3.791 -0.689 101 H VAL 18 H VAL 18 -5.220 1.937 -5.484 102 HA VAL 18 HA VAL 18 -3.541 -0.400 -4.684 103 HB VAL 18 HB VAL 18 -6.024 -0.586 -4.688 104 1HG1 VAL 18 2HG1 VAL 18 -6.511 0.785 -6.731 105 2HG1 VAL 18 3HG1 VAL 18 -5.823 -0.511 -7.729 106 3HG1 VAL 18 1HG1 VAL 18 -7.268 -0.815 -6.753 107 1HG2 VAL 18 3HG2 VAL 18 -4.626 -2.557 -4.801 108 2HG2 VAL 18 1HG2 VAL 18 -6.102 -2.791 -5.745 109 3HG2 VAL 18 2HG2 VAL 18 -4.565 -2.474 -6.574 110 H CYS 19 H CYS 19 -2.206 -1.466 -6.122 111 HA CYS 19 HA CYS 19 -1.452 0.014 -8.634 112 1HB CYS 19 1HB CYS 19 0.781 -0.755 -8.266 113 2HB CYS 19 2HB CYS 19 0.189 -0.046 -6.779 114 H ALA 20 H ALA 20 0.232 -2.482 -9.250 115 HA ALA 20 HA ALA 20 -1.718 -3.888 -10.950 116 1HB ALA 20 2HB ALA 20 0.526 -3.186 -11.775 117 2HB ALA 20 3HB ALA 20 1.284 -4.310 -10.631 118 3HB ALA 20 1HB ALA 20 0.246 -4.918 -11.945 119 H SER 21 H SER 21 -0.153 -6.466 -10.714 120 HA SER 21 HA SER 21 -1.602 -7.633 -8.374 121 1HB SER 21 1HB SER 21 -1.486 -9.733 -9.610 122 2HB SER 21 2HB SER 21 -2.282 -8.469 -10.555 123 HG SER 21 HG SER 21 0.483 -9.112 -10.782 124 H GLY 22 H GLY 22 -0.253 -7.566 -6.663 125 1HA GLY 22 1HA GLY 22 2.094 -9.336 -6.593 126 2HA GLY 22 2HA GLY 22 2.485 -7.627 -6.374 127 H THR 23 H THR 23 0.448 -6.682 -4.842 128 HA THR 23 HA THR 23 -0.272 -6.416 -2.719 129 HB THR 23 HB THR 23 -0.339 -9.437 -2.396 130 HG1 THR 23 HG1 THR 23 -2.598 -8.944 -3.174 131 1HG2 THR 23 3HG2 THR 23 -2.146 -7.219 -1.284 132 2HG2 THR 23 1HG2 THR 23 -2.396 -8.960 -1.073 133 3HG2 THR 23 2HG2 THR 23 -1.011 -8.188 -0.327 134 H THR 24 H THR 24 2.562 -6.439 -3.245 135 HA THR 24 HA THR 24 3.753 -6.757 -0.593 136 HB THR 24 HB THR 24 5.555 -5.320 -1.622 137 HG1 THR 24 HG1 THR 24 5.463 -5.022 -3.824 138 1HG2 THR 24 2HG2 THR 24 5.696 -7.803 -1.674 139 2HG2 THR 24 3HG2 THR 24 4.822 -7.815 -3.222 140 3HG2 THR 24 1HG2 THR 24 6.421 -7.057 -3.107 141 H CYS 25 H CYS 25 4.150 -5.085 0.783 142 HA CYS 25 HA CYS 25 2.854 -2.442 0.546 143 1HB CYS 25 1HB CYS 25 1.077 -4.183 1.102 144 2HB CYS 25 2HB CYS 25 1.900 -4.440 2.636 145 H GLN 26 H GLN 26 5.029 -1.767 0.774 146 HA GLN 26 HA GLN 26 6.544 -2.490 3.255 147 1HB GLN 26 1HB GLN 26 7.266 -3.466 1.120 148 2HB GLN 26 2HB GLN 26 7.381 -1.854 0.409 149 1HG GLN 26 2HG GLN 26 9.591 -2.726 0.963 150 2HG GLN 26 1HG GLN 26 9.257 -1.292 1.929 151 1HE2 GLN 26 1HE2 GLN 26 9.834 -4.851 3.814 152 2HE2 GLN 26 2HE2 GLN 26 9.810 -4.768 2.045 153 H VAL 27 H VAL 27 7.730 -0.968 4.415 154 HA VAL 27 HA VAL 27 6.555 1.634 4.539 155 HB VAL 27 HB VAL 27 7.240 0.446 6.506 156 1HG1 VAL 27 3HG2 VAL 27 9.383 -0.579 5.704 157 2HG1 VAL 27 1HG2 VAL 27 10.158 1.009 5.803 158 3HG1 VAL 27 2HG2 VAL 27 9.539 0.235 7.261 159 1HG2 VAL 27 3HG1 VAL 27 7.009 2.913 6.537 160 2HG2 VAL 27 1HG1 VAL 27 8.143 2.312 7.759 161 3HG2 VAL 27 2HG1 VAL 27 8.762 3.076 6.283 162 H LEU 28 H LEU 28 6.946 3.454 3.402 163 HA LEU 28 HA LEU 28 9.780 4.210 2.676 164 1HB LEU 28 1HB LEU 28 7.077 5.421 1.950 165 2HB LEU 28 2HB LEU 28 8.596 6.300 1.791 166 HG LEU 28 HG LEU 28 9.504 4.492 0.326 167 1HD1 LEU 28 3HD1 LEU 28 6.654 3.451 0.550 168 2HD1 LEU 28 1HD1 LEU 28 7.750 3.018 -0.783 169 3HD1 LEU 28 2HD1 LEU 28 8.155 2.558 0.866 170 1HD2 LEU 28 3HD2 LEU 28 8.555 6.577 -0.593 171 2HD2 LEU 28 1HD2 LEU 28 8.219 5.206 -1.656 172 3HD2 LEU 28 2HD2 LEU 28 6.936 5.845 -0.610 173 H ASN 29 H ASN 29 6.982 5.459 4.430 174 HA ASN 29 HA ASN 29 8.645 6.055 6.759 175 1HB ASN 29 1HB ASN 29 7.734 8.291 7.162 176 2HB ASN 29 2HB ASN 29 8.536 8.259 5.607 177 1HD2 ASN 29 1HD2 ASN 29 5.492 8.913 3.841 178 2HD2 ASN 29 2HD2 ASN 29 7.149 8.341 3.645 179 HA PRO 30 HA PRO 30 5.706 3.647 8.646 180 1HB PRO 30 2HB PRO 30 4.943 4.934 11.061 181 2HB PRO 30 1HB PRO 30 6.367 3.911 10.760 182 1HG PRO 30 2HG PRO 30 6.172 6.922 10.689 183 2HG PRO 30 1HG PRO 30 7.477 5.908 11.367 184 1HD PRO 30 2HD PRO 30 7.762 7.087 8.975 185 2HD PRO 30 1HD PRO 30 8.345 5.418 9.202 186 H TYR 31 H TYR 31 4.325 6.908 8.366 187 HA TYR 31 HA TYR 31 1.557 6.012 8.314 188 1HB TYR 31 2HB TYR 31 2.764 8.661 7.475 189 2HB TYR 31 1HB TYR 31 1.065 8.330 7.803 190 HD1 TYR 31 HD2 TYR 31 0.230 8.126 10.144 191 HD2 TYR 31 HD1 TYR 31 4.361 9.031 9.324 192 HE1 TYR 31 HE2 TYR 31 0.704 8.111 12.579 193 HE2 TYR 31 HE1 TYR 31 4.774 9.250 11.781 194 HH TYR 31 HH TYR 31 2.274 8.371 14.165 195 H TYR 32 H TYR 32 3.976 5.825 5.927 196 HA TYR 32 HA TYR 32 1.963 5.159 3.862 197 1HB TYR 32 1HB TYR 32 3.260 7.478 3.567 198 2HB TYR 32 2HB TYR 32 4.485 6.434 2.868 199 HD1 TYR 32 HD2 TYR 32 2.276 4.343 1.714 200 HD2 TYR 32 HD1 TYR 32 2.623 8.630 1.511 201 HE1 TYR 32 HE2 TYR 32 2.028 4.215 -0.724 202 HE2 TYR 32 HE1 TYR 32 1.959 8.513 -0.904 203 HH TYR 32 HH TYR 32 1.151 5.612 -2.471 204 H SER 33 H SER 33 2.175 2.992 4.296 205 HA SER 33 HA SER 33 4.581 1.544 3.341 206 1HB SER 33 1HB SER 33 3.314 0.588 5.203 207 2HB SER 33 2HB SER 33 1.841 0.559 4.207 208 HG SER 33 HG SER 33 3.793 -1.278 4.239 209 H GLN 34 H GLN 34 4.778 0.708 1.227 210 HA GLN 34 HA GLN 34 2.655 1.419 -0.770 211 1HB GLN 34 1HB GLN 34 4.379 3.194 -0.416 212 2HB GLN 34 2HB GLN 34 5.618 2.040 -0.931 213 1HG GLN 34 1HG GLN 34 4.704 1.990 -3.198 214 2HG GLN 34 2HG GLN 34 3.280 2.918 -2.696 215 1HE2 GLN 34 2HE2 GLN 34 5.010 5.921 -3.396 216 2HE2 GLN 34 1HE2 GLN 34 3.445 5.235 -2.974 217 H CYS 35 H CYS 35 2.990 0.635 -2.932 218 HA CYS 35 HA CYS 35 3.348 -2.201 -3.202 219 1HB CYS 35 1HB CYS 35 1.719 -0.801 -4.432 220 2HB CYS 35 2HB CYS 35 3.030 0.001 -5.283 221 H LEU 36 H LEU 36 5.645 -2.015 -2.253 222 HA LEU 36 HA LEU 36 7.676 -2.253 -4.471 223 1HB LEU 36 1HB LEU 36 7.910 -1.426 -1.574 224 2HB LEU 36 2HB LEU 36 9.277 -2.127 -2.424 225 HG LEU 36 HG LEU 36 9.484 -0.291 -3.901 226 1HD1 LEU 36 1HD2 LEU 36 6.851 0.758 -2.779 227 2HD1 LEU 36 2HD2 LEU 36 7.996 1.752 -3.702 228 3HD1 LEU 36 3HD2 LEU 36 7.241 0.360 -4.472 229 1HD2 LEU 36 2HD1 LEU 36 10.366 -0.079 -1.565 230 2HD2 LEU 36 3HD1 LEU 36 9.959 1.497 -2.269 231 3HD2 LEU 36 1HD1 LEU 36 8.869 0.741 -1.090 No H/Q in entry = 231 Start of MODEL 8 1 1H THR 1 1H THR 1 -7.964 -6.331 -8.025 2 2H THR 1 2H THR 1 -7.667 -5.634 -9.497 3 3H THR 1 3H THR 1 -6.703 -6.850 -8.965 4 HA THR 1 HA THR 1 -5.688 -5.451 -7.397 5 HB THR 1 HB THR 1 -5.207 -3.295 -8.868 6 HG1 THR 1 HG1 THR 1 -5.797 -3.601 -10.988 7 1HG2 THR 1 2HG2 THR 1 -3.641 -5.255 -8.607 8 2HG2 THR 1 3HG2 THR 1 -4.491 -6.067 -9.934 9 3HG2 THR 1 1HG2 THR 1 -3.655 -4.542 -10.227 10 H GLN 2 H GLN 2 -6.820 -4.906 -5.586 11 HA GLN 2 HA GLN 2 -8.587 -2.490 -5.535 12 1HB GLN 2 1HB GLN 2 -8.669 -5.221 -4.136 13 2HB GLN 2 2HB GLN 2 -9.491 -3.823 -3.472 14 1HG GLN 2 1HG GLN 2 -11.078 -5.134 -4.661 15 2HG GLN 2 2HG GLN 2 -10.879 -3.554 -5.435 16 1HE2 GLN 2 2HE2 GLN 2 -11.116 -5.635 -8.328 17 2HE2 GLN 2 1HE2 GLN 2 -11.962 -4.498 -7.285 18 H SER 3 H SER 3 -8.695 -1.617 -3.143 19 HA SER 3 HA SER 3 -6.454 -0.346 -2.368 20 1HB SER 3 1HB SER 3 -8.507 -1.475 -0.429 21 2HB SER 3 2HB SER 3 -7.440 -0.087 -0.141 22 HG SER 3 HG SER 3 -9.642 0.415 -0.876 23 H HIS 4 H HIS 4 -7.145 -3.644 -1.330 24 HA HIS 4 HA HIS 4 -4.558 -3.899 0.134 25 1HB HIS 4 1HB HIS 4 -7.044 -5.625 0.253 26 2HB HIS 4 2HB HIS 4 -5.663 -5.658 1.346 27 HD2 HIS 4 HD2 HIS 4 -5.720 -3.750 3.385 28 HE1 HIS 4 HE1 HIS 4 -9.358 -1.917 2.221 29 HE2 HIS 4 HE2 HIS 4 -7.588 -1.968 4.023 30 H ALA 5 H ALA 5 -4.486 -3.997 -2.723 31 HA ALA 5 HA ALA 5 -3.309 -6.715 -3.139 32 1HB ALA 5 2HB ALA 5 -5.531 -6.649 -4.280 33 2HB ALA 5 3HB ALA 5 -4.954 -5.232 -5.193 34 3HB ALA 5 1HB ALA 5 -4.172 -6.807 -5.413 35 H GLY 6 H GLY 6 -1.136 -6.403 -3.523 36 1HA GLY 6 1HA GLY 6 0.810 -5.487 -4.558 37 2HA GLY 6 2HA GLY 6 -0.185 -4.293 -5.374 38 H GLN 7 H GLN 7 -1.328 -2.763 -3.906 39 HA GLN 7 HA GLN 7 0.187 -1.559 -1.686 40 1HB GLN 7 1HB GLN 7 -1.297 -0.142 -2.982 41 2HB GLN 7 2HB GLN 7 -2.654 -1.256 -2.700 42 1HG GLN 7 1HG GLN 7 -2.438 -0.752 -0.206 43 2HG GLN 7 2HG GLN 7 -1.256 0.491 -0.616 44 1HE2 GLN 7 2HE2 GLN 7 -4.502 2.166 -0.240 45 2HE2 GLN 7 1HE2 GLN 7 -3.346 1.363 0.815 46 H CYS 8 H CYS 8 0.282 -2.611 0.301 47 HA CYS 8 HA CYS 8 -1.750 -4.603 1.100 48 1HB CYS 8 1HB CYS 8 -0.468 -4.891 3.088 49 2HB CYS 8 2HB CYS 8 0.610 -4.864 1.692 50 H GLY 9 H GLY 9 -1.069 -1.232 2.122 51 1HA GLY 9 1HA GLY 9 -2.854 0.297 2.674 52 2HA GLY 9 2HA GLY 9 -3.865 -1.024 3.204 53 H GLY 10 H GLY 10 -0.794 0.599 4.093 54 1HA GLY 10 1HA GLY 10 -0.877 -0.323 6.877 55 2HA GLY 10 2HA GLY 10 0.358 0.658 6.118 56 H ILE 11 H ILE 11 0.655 2.067 7.763 57 HA ILE 11 HA ILE 11 -1.017 2.978 9.718 58 HB ILE 11 HB ILE 11 1.226 4.627 8.538 59 1HG1 ILE 11 2HG1 ILE 11 1.330 2.677 10.889 60 2HG1 ILE 11 1HG1 ILE 11 1.972 2.343 9.278 61 1HG2 ILE 11 2HG2 ILE 11 -0.309 5.927 10.070 62 2HG2 ILE 11 3HG2 ILE 11 -0.045 4.711 11.326 63 3HG2 ILE 11 1HG2 ILE 11 1.281 5.739 10.764 64 1HD1 ILE 11 2HD1 ILE 11 3.555 4.273 9.526 65 2HD1 ILE 11 3HD1 ILE 11 3.005 4.475 11.201 66 3HD1 ILE 11 1HD1 ILE 11 3.799 2.985 10.707 67 H GLY 12 H GLY 12 -3.054 3.573 9.271 68 1HA GLY 12 2HA GLY 12 -4.737 5.152 9.109 69 2HA GLY 12 1HA GLY 12 -3.563 6.350 8.577 70 H TYR 13 H TYR 13 -3.728 3.427 6.634 71 HA TYR 13 HA TYR 13 -5.256 4.947 4.536 72 1HB TYR 13 1HB TYR 13 -2.634 5.141 4.724 73 2HB TYR 13 2HB TYR 13 -2.630 3.606 3.891 74 HD1 TYR 13 HD1 TYR 13 -4.910 3.990 1.845 75 HD2 TYR 13 HD2 TYR 13 -1.883 6.775 3.253 76 HE1 TYR 13 HE1 TYR 13 -5.479 5.518 0.042 77 HE2 TYR 13 HE2 TYR 13 -2.437 8.268 1.342 78 HH TYR 13 HH TYR 13 -4.985 7.426 -1.010 79 H SER 14 H SER 14 -6.768 3.088 5.537 80 HA SER 14 HA SER 14 -6.646 0.706 3.740 81 1HB SER 14 2HB SER 14 -7.311 0.439 6.111 82 2HB SER 14 1HB SER 14 -8.789 1.372 5.762 83 HG SER 14 HG SER 14 -9.273 -0.800 5.410 84 H GLY 15 H GLY 15 -6.656 2.183 1.886 85 1HA GLY 15 2HA GLY 15 -9.249 2.379 0.583 86 2HA GLY 15 1HA GLY 15 -8.609 3.968 1.047 87 HA PRO 16 HA PRO 16 -6.850 2.050 -2.948 88 1HB PRO 16 2HB PRO 16 -7.945 3.567 -4.948 89 2HB PRO 16 1HB PRO 16 -8.754 2.169 -4.202 90 1HG PRO 16 1HG PRO 16 -9.118 5.094 -3.475 91 2HG PRO 16 2HG PRO 16 -10.399 3.902 -3.820 92 1HD PRO 16 2HD PRO 16 -9.703 4.449 -1.271 93 2HD PRO 16 1HD PRO 16 -10.031 2.766 -1.767 94 H THR 17 H THR 17 -4.750 2.634 -2.841 95 HA THR 17 HA THR 17 -4.007 4.890 -4.568 96 HB THR 17 HB THR 17 -3.804 5.979 -2.451 97 HG1 THR 17 HG1 THR 17 -1.199 5.442 -3.291 98 1HG2 THR 17 1HG2 THR 17 -1.832 3.795 -1.622 99 2HG2 THR 17 2HG2 THR 17 -2.114 5.326 -0.773 100 3HG2 THR 17 3HG2 THR 17 -3.408 4.125 -0.920 101 H VAL 18 H VAL 18 -4.077 2.959 -5.723 102 HA VAL 18 HA VAL 18 -2.772 0.618 -4.703 103 HB VAL 18 HB VAL 18 -5.167 0.877 -5.103 104 1HG1 VAL 18 1HG2 VAL 18 -4.496 0.851 -8.082 105 2HG1 VAL 18 2HG2 VAL 18 -6.119 0.698 -7.387 106 3HG1 VAL 18 3HG2 VAL 18 -5.211 2.198 -7.181 107 1HG2 VAL 18 2HG1 VAL 18 -4.120 -1.404 -5.067 108 2HG2 VAL 18 3HG1 VAL 18 -5.671 -1.273 -5.919 109 3HG2 VAL 18 1HG1 VAL 18 -4.186 -1.400 -6.848 110 H CYS 19 H CYS 19 -2.220 -1.239 -6.123 111 HA CYS 19 HA CYS 19 -0.306 -0.544 -8.315 112 1HB CYS 19 1HB CYS 19 0.713 -0.547 -6.019 113 2HB CYS 19 2HB CYS 19 0.187 -2.204 -5.823 114 H ALA 20 H ALA 20 0.687 -2.651 -9.237 115 HA ALA 20 HA ALA 20 -1.203 -4.601 -10.188 116 1HB ALA 20 2HB ALA 20 0.848 -3.978 -11.408 117 2HB ALA 20 3HB ALA 20 1.844 -4.607 -10.079 118 3HB ALA 20 1HB ALA 20 0.847 -5.715 -11.040 119 H SER 21 H SER 21 -1.103 -6.973 -9.716 120 HA SER 21 HA SER 21 -1.575 -7.405 -6.938 121 1HB SER 21 1HB SER 21 -2.575 -8.668 -8.939 122 2HB SER 21 2HB SER 21 -1.088 -9.631 -8.950 123 HG SER 21 HG SER 21 -2.126 -10.732 -7.400 124 H GLY 22 H GLY 22 -0.486 -8.479 -5.291 125 1HA GLY 22 2HA GLY 22 1.593 -10.243 -5.275 126 2HA GLY 22 1HA GLY 22 2.455 -8.708 -5.420 127 H THR 23 H THR 23 1.902 -7.042 -3.801 128 HA THR 23 HA THR 23 1.060 -6.134 -1.916 129 HB THR 23 HB THR 23 0.060 -8.779 -0.854 130 HG1 THR 23 HG1 THR 23 -1.887 -8.110 -1.904 131 1HG2 THR 23 3HG2 THR 23 -0.904 -5.897 -0.578 132 2HG2 THR 23 1HG2 THR 23 -1.706 -7.311 0.126 133 3HG2 THR 23 2HG2 THR 23 -0.113 -6.835 0.708 134 H THR 24 H THR 24 3.732 -6.463 -2.085 135 HA THR 24 HA THR 24 4.839 -7.468 0.417 136 HB THR 24 HB THR 24 6.946 -6.395 -0.550 137 HG1 THR 24 HG1 THR 24 6.896 -5.810 -2.585 138 1HG2 THR 24 2HG2 THR 24 6.527 -8.837 -0.631 139 2HG2 THR 24 3HG2 THR 24 5.582 -8.628 -2.126 140 3HG2 THR 24 1HG2 THR 24 7.313 -8.242 -2.102 141 H CYS 25 H CYS 25 4.391 -6.404 2.136 142 HA CYS 25 HA CYS 25 3.401 -3.735 2.097 143 1HB CYS 25 1HB CYS 25 2.507 -5.826 3.280 144 2HB CYS 25 2HB CYS 25 3.744 -5.561 4.516 145 H GLN 26 H GLN 26 5.684 -2.933 1.463 146 HA GLN 26 HA GLN 26 6.956 -1.755 3.918 147 1HB GLN 26 1HB GLN 26 8.382 -3.131 2.469 148 2HB GLN 26 2HB GLN 26 8.072 -2.074 1.111 149 1HG GLN 26 2HG GLN 26 10.285 -1.695 2.180 150 2HG GLN 26 1HG GLN 26 9.312 -0.243 2.139 151 1HE2 GLN 26 1HE2 GLN 26 9.552 -1.949 5.876 152 2HE2 GLN 26 2HE2 GLN 26 9.024 -2.967 4.524 153 H VAL 27 H VAL 27 7.948 0.575 3.375 154 HA VAL 27 HA VAL 27 5.461 2.158 2.909 155 HB VAL 27 HB VAL 27 5.928 1.385 5.259 156 1HG1 VAL 27 1HG2 VAL 27 8.267 3.355 5.148 157 2HG1 VAL 27 2HG2 VAL 27 7.603 2.593 6.595 158 3HG1 VAL 27 3HG2 VAL 27 8.352 1.600 5.355 159 1HG2 VAL 27 3HG1 VAL 27 5.738 4.341 4.680 160 2HG2 VAL 27 1HG1 VAL 27 4.410 3.186 4.849 161 3HG2 VAL 27 2HG1 VAL 27 5.410 3.585 6.261 162 H LEU 28 H LEU 28 5.532 4.166 2.133 163 HA LEU 28 HA LEU 28 8.122 5.287 1.142 164 1HB LEU 28 1HB LEU 28 5.227 6.035 0.540 165 2HB LEU 28 2HB LEU 28 6.631 6.959 0.025 166 HG LEU 28 HG LEU 28 7.511 5.010 -1.222 167 1HD1 LEU 28 3HD1 LEU 28 4.860 3.748 -0.412 168 2HD1 LEU 28 1HD1 LEU 28 5.830 3.182 -1.788 169 3HD1 LEU 28 2HD1 LEU 28 6.494 3.084 -0.165 170 1HD2 LEU 28 3HD2 LEU 28 6.191 6.755 -2.363 171 2HD2 LEU 28 1HD2 LEU 28 5.879 5.167 -3.079 172 3HD2 LEU 28 2HD2 LEU 28 4.686 5.890 -1.983 173 H ASN 29 H ASN 29 5.247 6.569 2.811 174 HA ASN 29 HA ASN 29 6.721 8.762 4.149 175 1HB ASN 29 1HB ASN 29 3.863 7.767 4.472 176 2HB ASN 29 2HB ASN 29 4.475 9.333 5.014 177 1HD2 ASN 29 1HD2 ASN 29 2.716 9.518 1.634 178 2HD2 ASN 29 2HD2 ASN 29 2.250 8.541 3.036 179 HA PRO 30 HA PRO 30 5.679 6.089 7.982 180 1HB PRO 30 2HB PRO 30 4.205 8.456 9.146 181 2HB PRO 30 1HB PRO 30 5.271 7.276 9.956 182 1HG PRO 30 1HG PRO 30 6.196 9.762 9.366 183 2HG PRO 30 2HG PRO 30 7.227 8.339 9.045 184 1HD PRO 30 2HD PRO 30 5.465 9.836 7.070 185 2HD PRO 30 1HD PRO 30 7.182 9.382 6.901 186 H TYR 31 H TYR 31 3.133 8.532 7.205 187 HA TYR 31 HA TYR 31 0.945 6.679 7.271 188 1HB TYR 31 1HB TYR 31 1.217 9.531 6.291 189 2HB TYR 31 2HB TYR 31 -0.301 8.645 6.250 190 HD1 TYR 31 HD2 TYR 31 2.225 10.168 8.525 191 HD2 TYR 31 HD1 TYR 31 -1.521 8.020 8.281 192 HE1 TYR 31 HE2 TYR 31 1.843 10.527 10.964 193 HE2 TYR 31 HE1 TYR 31 -1.881 8.385 10.714 194 HH TYR 31 HH TYR 31 -1.039 9.241 12.611 195 H TYR 32 H TYR 32 1.822 5.031 5.919 196 HA TYR 32 HA TYR 32 0.235 4.795 3.589 197 1HB TYR 32 2HB TYR 32 2.593 6.096 2.898 198 2HB TYR 32 1HB TYR 32 3.115 4.466 2.749 199 HD1 TYR 32 HD2 TYR 32 1.944 2.945 1.059 200 HD2 TYR 32 HD1 TYR 32 1.311 7.200 1.147 201 HE1 TYR 32 HE2 TYR 32 0.806 2.815 -1.133 202 HE2 TYR 32 HE1 TYR 32 0.637 7.104 -1.257 203 HH TYR 32 HH TYR 32 -0.005 4.045 -2.927 204 H SER 33 H SER 33 0.657 2.572 2.531 205 HA SER 33 HA SER 33 3.082 1.473 2.908 206 1HB SER 33 1HB SER 33 2.551 0.484 5.056 207 2HB SER 33 2HB SER 33 1.215 -0.434 4.332 208 HG SER 33 HG SER 33 3.926 -0.617 3.430 209 H GLN 34 H GLN 34 3.654 0.526 1.094 210 HA GLN 34 HA GLN 34 1.507 0.310 -0.969 211 1HB GLN 34 1HB GLN 34 3.159 2.275 -0.912 212 2HB GLN 34 2HB GLN 34 4.393 1.137 -1.331 213 1HG GLN 34 1HG GLN 34 2.428 0.600 -3.278 214 2HG GLN 34 2HG GLN 34 2.151 2.302 -2.975 215 1HE2 GLN 34 2HE2 GLN 34 4.815 3.020 -5.175 216 2HE2 GLN 34 1HE2 GLN 34 3.233 3.517 -4.556 217 H CYS 35 H CYS 35 4.449 -0.506 -2.316 218 HA CYS 35 HA CYS 35 3.741 -3.375 -2.650 219 1HB CYS 35 1HB CYS 35 2.301 -1.689 -3.980 220 2HB CYS 35 2HB CYS 35 3.774 -1.173 -4.784 221 H LEU 36 H LEU 36 5.970 -3.235 -1.476 222 HA LEU 36 HA LEU 36 8.136 -3.385 -3.449 223 1HB LEU 36 1HB LEU 36 9.185 -1.887 -1.155 224 2HB LEU 36 2HB LEU 36 9.427 -1.713 -2.875 225 HG LEU 36 HG LEU 36 7.136 -0.462 -2.898 226 1HD1 LEU 36 2HD1 LEU 36 6.562 -1.159 -0.471 227 2HD1 LEU 36 3HD1 LEU 36 7.882 -0.090 0.041 228 3HD1 LEU 36 1HD1 LEU 36 6.482 0.582 -0.794 229 1HD2 LEU 36 3HD2 LEU 36 9.303 0.645 -3.256 230 2HD2 LEU 36 1HD2 LEU 36 8.224 1.653 -2.281 231 3HD2 LEU 36 2HD2 LEU 36 9.552 0.769 -1.500 No H/Q in entry = 231 Start of MODEL 9 1 1H THR 1 2H THR 1 -3.369 -5.797 -14.140 2 2H THR 1 3H THR 1 -1.796 -6.257 -14.344 3 3H THR 1 1H THR 1 -2.960 -7.382 -14.057 4 HA THR 1 HA THR 1 -1.713 -7.037 -12.046 5 HB THR 1 HB THR 1 -0.833 -4.840 -12.421 6 HG1 THR 1 HG1 THR 1 -2.216 -4.030 -10.273 7 1HG2 THR 1 2HG2 THR 1 -2.708 -3.714 -13.600 8 2HG2 THR 1 3HG2 THR 1 -3.644 -3.675 -12.086 9 3HG2 THR 1 1HG2 THR 1 -2.129 -2.778 -12.222 10 H GLN 2 H GLN 2 -2.836 -7.832 -10.236 11 HA GLN 2 HA GLN 2 -5.745 -7.420 -10.005 12 1HB GLN 2 2HB GLN 2 -4.506 -9.611 -9.567 13 2HB GLN 2 1HB GLN 2 -3.830 -8.861 -8.129 14 1HG GLN 2 1HG GLN 2 -5.722 -10.138 -7.434 15 2HG GLN 2 2HG GLN 2 -6.250 -8.462 -7.328 16 1HE2 GLN 2 2HE2 GLN 2 -8.829 -9.037 -9.715 17 2HE2 GLN 2 1HE2 GLN 2 -8.079 -7.827 -8.662 18 H SER 3 H SER 3 -5.059 -4.962 -9.958 19 HA SER 3 HA SER 3 -4.034 -3.868 -7.450 20 1HB SER 3 1HB SER 3 -5.305 -2.553 -9.870 21 2HB SER 3 2HB SER 3 -4.697 -1.667 -8.471 22 HG SER 3 HG SER 3 -2.730 -1.946 -9.122 23 H HIS 4 H HIS 4 -5.546 -5.190 -6.223 24 HA HIS 4 HA HIS 4 -7.977 -3.685 -5.331 25 1HB HIS 4 1HB HIS 4 -7.842 -6.683 -5.926 26 2HB HIS 4 2HB HIS 4 -9.219 -5.820 -5.232 27 HD2 HIS 4 HD2 HIS 4 -10.607 -4.127 -7.031 28 HE1 HIS 4 HE1 HIS 4 -8.682 -5.631 -10.492 29 HE2 HIS 4 HE2 HIS 4 -10.606 -4.176 -9.660 30 H ALA 5 H ALA 5 -6.189 -6.691 -4.536 31 HA ALA 5 HA ALA 5 -6.102 -6.071 -1.652 32 1HB ALA 5 2HB ALA 5 -6.506 -8.362 -2.432 33 2HB ALA 5 3HB ALA 5 -4.910 -8.397 -3.205 34 3HB ALA 5 1HB ALA 5 -5.053 -8.231 -1.442 35 H GLY 6 H GLY 6 -4.751 -4.412 -1.157 36 1HA GLY 6 1HA GLY 6 -1.883 -4.431 -2.081 37 2HA GLY 6 2HA GLY 6 -2.900 -3.038 -2.393 38 H GLN 7 H GLN 7 -3.196 -1.523 -0.741 39 HA GLN 7 HA GLN 7 -1.161 -1.352 1.205 40 1HB GLN 7 1HB GLN 7 -2.437 0.562 0.125 41 2HB GLN 7 2HB GLN 7 -3.772 0.185 1.236 42 1HG GLN 7 2HG GLN 7 -2.199 0.522 3.178 43 2HG GLN 7 1HG GLN 7 -0.992 1.093 2.017 44 1HE2 GLN 7 2HE2 GLN 7 -2.358 4.193 3.095 45 2HE2 GLN 7 1HE2 GLN 7 -1.189 2.980 3.636 46 H CYS 8 H CYS 8 -1.023 -2.982 2.714 47 HA CYS 8 HA CYS 8 -2.815 -4.185 4.430 48 1HB CYS 8 2HB CYS 8 -0.939 -4.106 6.112 49 2HB CYS 8 1HB CYS 8 -0.454 -4.647 4.509 50 H GLY 9 H GLY 9 -1.599 -0.914 4.791 51 1HA GLY 9 1HA GLY 9 -3.335 0.693 5.790 52 2HA GLY 9 2HA GLY 9 -3.241 -0.331 7.228 53 H GLY 10 H GLY 10 -2.241 2.501 6.300 54 1HA GLY 10 1HA GLY 10 0.663 2.337 7.184 55 2HA GLY 10 2HA GLY 10 -0.025 3.523 6.085 56 H ILE 11 H ILE 11 0.427 5.380 7.275 57 HA ILE 11 HA ILE 11 -0.567 5.583 10.110 58 HB ILE 11 HB ILE 11 1.308 7.416 8.627 59 1HG1 ILE 11 2HG1 ILE 11 1.727 5.303 10.808 60 2HG1 ILE 11 1HG1 ILE 11 2.288 5.197 9.137 61 1HG2 ILE 11 2HG2 ILE 11 -0.089 8.602 10.328 62 2HG2 ILE 11 3HG2 ILE 11 0.393 7.404 11.543 63 3HG2 ILE 11 1HG2 ILE 11 1.586 8.509 10.834 64 1HD1 ILE 11 2HD1 ILE 11 3.751 7.187 9.530 65 2HD1 ILE 11 3HD1 ILE 11 3.311 7.115 11.254 66 3HD1 ILE 11 1HD1 ILE 11 4.157 5.761 10.498 67 H GLY 12 H GLY 12 -2.664 5.976 10.111 68 1HA GLY 12 1HA GLY 12 -4.678 7.104 9.901 69 2HA GLY 12 2HA GLY 12 -3.863 8.422 9.061 70 H TYR 13 H TYR 13 -4.343 4.918 8.312 71 HA TYR 13 HA TYR 13 -5.892 5.420 5.899 72 1HB TYR 13 1HB TYR 13 -3.037 5.763 5.797 73 2HB TYR 13 2HB TYR 13 -3.337 4.238 5.040 74 HD1 TYR 13 HD1 TYR 13 -5.735 4.447 3.454 75 HD2 TYR 13 HD2 TYR 13 -2.712 7.451 4.219 76 HE1 TYR 13 HE1 TYR 13 -6.255 5.549 1.286 77 HE2 TYR 13 HE2 TYR 13 -3.134 8.430 1.976 78 HH TYR 13 HH TYR 13 -4.325 8.281 0.066 79 H SER 14 H SER 14 -7.135 3.683 5.602 80 HA SER 14 HA SER 14 -6.224 0.933 6.427 81 1HB SER 14 1HB SER 14 -9.067 2.020 6.555 82 2HB SER 14 2HB SER 14 -8.438 0.485 7.200 83 HG SER 14 HG SER 14 -8.540 1.988 8.886 84 H GLY 15 H GLY 15 -7.742 2.712 3.812 85 1HA GLY 15 2HA GLY 15 -8.873 0.325 2.483 86 2HA GLY 15 1HA GLY 15 -8.990 1.993 1.970 87 HA PRO 16 HA PRO 16 -5.220 -0.465 -0.128 88 1HB PRO 16 2HB PRO 16 -7.464 -1.359 -1.937 89 2HB PRO 16 1HB PRO 16 -5.825 -2.056 -1.757 90 1HG PRO 16 2HG PRO 16 -7.828 -3.139 -0.323 91 2HG PRO 16 1HG PRO 16 -6.303 -2.730 0.522 92 1HD PRO 16 1HD PRO 16 -8.891 -1.146 0.508 93 2HD PRO 16 2HD PRO 16 -7.771 -1.522 1.857 94 H THR 17 H THR 17 -4.864 1.964 -0.253 95 HA THR 17 HA THR 17 -5.736 3.312 -2.696 96 HB THR 17 HB THR 17 -5.230 4.354 -0.426 97 HG1 THR 17 HG1 THR 17 -4.873 6.258 -1.404 98 1HG2 THR 17 2HG2 THR 17 -2.727 3.507 -0.416 99 2HG2 THR 17 3HG2 THR 17 -2.445 4.895 -1.463 100 3HG2 THR 17 1HG2 THR 17 -3.107 5.139 0.146 101 H VAL 18 H VAL 18 -4.913 1.192 -3.679 102 HA VAL 18 HA VAL 18 -2.132 0.586 -3.564 103 HB VAL 18 HB VAL 18 -3.901 -1.046 -3.376 104 1HG1 VAL 18 2HG1 VAL 18 -5.510 -0.117 -5.036 105 2HG1 VAL 18 3HG1 VAL 18 -4.449 -0.662 -6.343 106 3HG1 VAL 18 1HG1 VAL 18 -5.220 -1.845 -5.264 107 1HG2 VAL 18 3HG2 VAL 18 -1.654 -1.841 -4.100 108 2HG2 VAL 18 1HG2 VAL 18 -2.971 -2.864 -4.714 109 3HG2 VAL 18 2HG2 VAL 18 -2.179 -1.714 -5.791 110 H CYS 19 H CYS 19 -0.521 0.367 -5.003 111 HA CYS 19 HA CYS 19 -0.501 1.870 -7.522 112 1HB CYS 19 1HB CYS 19 1.844 1.323 -7.527 113 2HB CYS 19 2HB CYS 19 1.404 1.815 -5.907 114 H ALA 20 H ALA 20 1.372 -0.476 -8.532 115 HA ALA 20 HA ALA 20 -0.431 -2.344 -9.816 116 1HB ALA 20 2HB ALA 20 1.918 -2.046 -10.516 117 2HB ALA 20 3HB ALA 20 2.476 -2.611 -8.928 118 3HB ALA 20 1HB ALA 20 1.617 -3.720 -10.013 119 H SER 21 H SER 21 -0.491 -4.683 -9.116 120 HA SER 21 HA SER 21 -1.544 -5.006 -6.460 121 1HB SER 21 1HB SER 21 -2.064 -6.372 -8.534 122 2HB SER 21 2HB SER 21 -0.529 -7.217 -8.283 123 HG SER 21 HG SER 21 -2.842 -7.162 -6.603 124 H GLY 22 H GLY 22 -0.772 -6.528 -4.817 125 1HA GLY 22 1HA GLY 22 1.964 -7.367 -4.527 126 2HA GLY 22 2HA GLY 22 1.794 -5.765 -3.801 127 H THR 23 H THR 23 -0.879 -6.160 -2.802 128 HA THR 23 HA THR 23 -1.870 -6.611 -0.825 129 HB THR 23 HB THR 23 -2.553 -8.441 -2.333 130 HG1 THR 23 HG1 THR 23 -2.293 -9.167 0.383 131 1HG2 THR 23 3HG2 THR 23 -0.467 -10.115 -0.870 132 2HG2 THR 23 1HG2 THR 23 -1.741 -10.749 -1.925 133 3HG2 THR 23 2HG2 THR 23 -0.473 -9.722 -2.603 134 H THR 24 H THR 24 1.050 -6.274 -0.390 135 HA THR 24 HA THR 24 1.241 -7.378 2.380 136 HB THR 24 HB THR 24 3.652 -7.969 1.943 137 HG1 THR 24 HG1 THR 24 2.892 -7.714 -0.780 138 1HG2 THR 24 2HG2 THR 24 1.831 -9.699 1.829 139 2HG2 THR 24 3HG2 THR 24 1.706 -9.410 0.090 140 3HG2 THR 24 1HG2 THR 24 3.207 -10.047 0.763 141 H CYS 25 H CYS 25 3.469 -6.423 3.380 142 HA CYS 25 HA CYS 25 2.705 -3.532 3.476 143 1HB CYS 25 1HB CYS 25 1.889 -5.403 5.145 144 2HB CYS 25 2HB CYS 25 3.487 -5.241 5.854 145 H GLN 26 H GLN 26 4.555 -2.682 2.272 146 HA GLN 26 HA GLN 26 6.925 -2.443 4.093 147 1HB GLN 26 1HB GLN 26 7.327 -3.926 2.060 148 2HB GLN 26 2HB GLN 26 7.338 -2.446 1.096 149 1HG GLN 26 2HG GLN 26 9.134 -1.568 2.667 150 2HG GLN 26 1HG GLN 26 9.100 -3.100 3.532 151 1HE2 GLN 26 1HE2 GLN 26 10.674 -4.816 0.709 152 2HE2 GLN 26 2HE2 GLN 26 9.286 -5.106 1.776 153 H VAL 27 H VAL 27 7.371 -0.417 1.365 154 HA VAL 27 HA VAL 27 5.936 1.860 2.455 155 HB VAL 27 HB VAL 27 7.595 1.624 4.219 156 1HG1 VAL 27 3HG2 VAL 27 9.444 0.592 2.810 157 2HG1 VAL 27 1HG2 VAL 27 9.814 2.219 2.228 158 3HG1 VAL 27 2HG2 VAL 27 9.947 1.841 3.953 159 1HG2 VAL 27 2HG1 VAL 27 6.793 3.852 3.695 160 2HG2 VAL 27 3HG1 VAL 27 8.484 3.896 4.236 161 3HG2 VAL 27 1HG1 VAL 27 8.109 4.090 2.519 162 H LEU 28 H LEU 28 5.444 3.190 0.847 163 HA LEU 28 HA LEU 28 7.308 3.674 -1.452 164 1HB LEU 28 1HB LEU 28 4.571 4.905 -0.863 165 2HB LEU 28 2HB LEU 28 5.587 5.189 -2.261 166 HG LEU 28 HG LEU 28 5.399 2.590 -2.636 167 1HD1 LEU 28 1HD2 LEU 28 3.027 3.153 -0.803 168 2HD1 LEU 28 2HD2 LEU 28 3.108 1.774 -1.897 169 3HD1 LEU 28 3HD2 LEU 28 4.266 1.915 -0.580 170 1HD2 LEU 28 3HD1 LEU 28 3.161 4.595 -3.109 171 2HD2 LEU 28 1HD1 LEU 28 4.504 4.228 -4.188 172 3HD2 LEU 28 2HD1 LEU 28 3.241 3.020 -3.911 173 H ASN 29 H ASN 29 5.488 5.758 0.732 174 HA ASN 29 HA ASN 29 7.949 7.153 1.662 175 1HB ASN 29 1HB ASN 29 5.173 8.417 1.399 176 2HB ASN 29 2HB ASN 29 6.628 9.216 1.997 177 1HD2 ASN 29 1HD2 ASN 29 8.003 9.253 -1.444 178 2HD2 ASN 29 2HD2 ASN 29 8.573 8.500 0.041 179 HA PRO 30 HA PRO 30 7.283 5.639 5.689 180 1HB PRO 30 2HB PRO 30 6.693 8.508 6.512 181 2HB PRO 30 1HB PRO 30 7.570 7.258 7.436 182 1HG PRO 30 2HG PRO 30 9.006 8.986 5.949 183 2HG PRO 30 1HG PRO 30 9.369 7.244 5.826 184 1HD PRO 30 2HD PRO 30 7.795 8.963 3.920 185 2HD PRO 30 1HD PRO 30 8.980 7.676 3.564 186 H TYR 31 H TYR 31 4.680 8.138 5.317 187 HA TYR 31 HA TYR 31 2.822 6.695 6.956 188 1HB TYR 31 2HB TYR 31 2.401 8.939 4.941 189 2HB TYR 31 1HB TYR 31 1.112 8.222 5.895 190 HD1 TYR 31 HD1 TYR 31 4.375 8.698 7.657 191 HD2 TYR 31 HD2 TYR 31 0.481 10.385 6.774 192 HE1 TYR 31 HE1 TYR 31 4.788 10.508 9.272 193 HE2 TYR 31 HE2 TYR 31 0.883 12.131 8.508 194 HH TYR 31 HH TYR 31 4.009 12.399 10.197 195 H TYR 32 H TYR 32 3.594 6.157 3.607 196 HA TYR 32 HA TYR 32 1.067 4.657 3.129 197 1HB TYR 32 2HB TYR 32 1.394 6.593 1.707 198 2HB TYR 32 1HB TYR 32 2.942 5.970 1.178 199 HD1 TYR 32 HD1 TYR 32 0.538 3.216 1.433 200 HD2 TYR 32 HD2 TYR 32 1.839 6.480 -1.092 201 HE1 TYR 32 HE1 TYR 32 -0.401 2.081 -0.556 202 HE2 TYR 32 HE2 TYR 32 0.827 5.327 -3.061 203 HH TYR 32 HH TYR 32 -0.816 3.250 -3.443 204 H SER 33 H SER 33 1.643 2.729 4.009 205 HA SER 33 HA SER 33 3.879 1.103 3.039 206 1HB SER 33 1HB SER 33 3.165 1.024 5.398 207 2HB SER 33 2HB SER 33 1.591 0.366 4.897 208 HG SER 33 HG SER 33 4.166 -0.807 4.663 209 H GLN 34 H GLN 34 3.703 0.444 0.981 210 HA GLN 34 HA GLN 34 2.205 -1.856 0.390 211 1HB GLN 34 1HB GLN 34 0.379 -0.181 -0.013 212 2HB GLN 34 2HB GLN 34 1.368 0.605 -1.209 213 1HG GLN 34 1HG GLN 34 -0.635 -1.210 -1.699 214 2HG GLN 34 2HG GLN 34 0.599 -0.744 -2.833 215 1HE2 GLN 34 2HE2 GLN 34 1.198 -4.379 -1.078 216 2HE2 GLN 34 1HE2 GLN 34 0.435 -3.190 -0.059 217 H CYS 35 H CYS 35 2.537 -1.069 -2.635 218 HA CYS 35 HA CYS 35 3.994 -1.998 -4.057 219 1HB CYS 35 1HB CYS 35 3.848 0.784 -3.780 220 2HB CYS 35 2HB CYS 35 5.547 0.486 -4.091 221 H LEU 36 H LEU 36 5.515 -3.427 -4.314 222 HA LEU 36 HA LEU 36 8.143 -3.254 -2.991 223 1HB LEU 36 1HB LEU 36 6.533 -5.834 -3.091 224 2HB LEU 36 2HB LEU 36 8.050 -5.489 -2.274 225 HG LEU 36 HG LEU 36 6.570 -3.772 -0.866 226 1HD1 LEU 36 3HD1 LEU 36 4.501 -5.828 -1.809 227 2HD1 LEU 36 1HD1 LEU 36 4.274 -4.710 -0.452 228 3HD1 LEU 36 2HD1 LEU 36 4.408 -4.087 -2.097 229 1HD2 LEU 36 2HD2 LEU 36 6.472 -6.798 -0.483 230 2HD2 LEU 36 3HD2 LEU 36 7.758 -5.711 0.076 231 3HD2 LEU 36 1HD2 LEU 36 6.130 -5.595 0.777 No H/Q in entry = 231 Start of MODEL 10 1 1H THR 1 2H THR 1 -3.990 -4.146 -8.120 2 2H THR 1 3H THR 1 -4.065 -3.689 -9.698 3 3H THR 1 1H THR 1 -4.789 -2.822 -8.527 4 HA THR 1 HA THR 1 -6.505 -4.006 -9.678 5 HB THR 1 HB THR 1 -5.131 -5.771 -10.680 6 HG1 THR 1 HG1 THR 1 -6.653 -7.493 -10.244 7 1HG2 THR 1 2HG2 THR 1 -3.705 -6.366 -8.700 8 2HG2 THR 1 3HG2 THR 1 -5.109 -7.129 -7.933 9 3HG2 THR 1 1HG2 THR 1 -4.463 -7.779 -9.446 10 H GLN 2 H GLN 2 -8.459 -4.793 -8.585 11 HA GLN 2 HA GLN 2 -8.293 -4.546 -5.654 12 1HB GLN 2 2HB GLN 2 -10.039 -3.492 -7.284 13 2HB GLN 2 1HB GLN 2 -10.844 -5.052 -7.190 14 1HG GLN 2 1HG GLN 2 -10.126 -3.176 -4.865 15 2HG GLN 2 2HG GLN 2 -11.719 -3.380 -5.587 16 1HE2 GLN 2 2HE2 GLN 2 -10.515 -6.103 -2.853 17 2HE2 GLN 2 1HE2 GLN 2 -9.329 -4.915 -3.393 18 H SER 3 H SER 3 -6.869 -6.453 -5.774 19 HA SER 3 HA SER 3 -8.043 -8.763 -4.519 20 1HB SER 3 1HB SER 3 -7.106 -9.091 -7.410 21 2HB SER 3 2HB SER 3 -7.067 -10.438 -6.260 22 HG SER 3 HG SER 3 -9.456 -8.976 -6.522 23 H HIS 4 H HIS 4 -5.073 -9.005 -6.499 24 HA HIS 4 HA HIS 4 -3.210 -8.802 -4.321 25 1HB HIS 4 1HB HIS 4 -2.765 -8.274 -7.273 26 2HB HIS 4 2HB HIS 4 -1.546 -8.658 -6.052 27 HD2 HIS 4 HD2 HIS 4 -1.135 -11.334 -5.651 28 HE1 HIS 4 HE1 HIS 4 -4.449 -12.719 -7.905 29 HE2 HIS 4 HE2 HIS 4 -2.376 -13.451 -6.614 30 H ALA 5 H ALA 5 -4.043 -7.020 -3.164 31 HA ALA 5 HA ALA 5 -4.494 -4.439 -4.352 32 1HB ALA 5 2HB ALA 5 -6.002 -5.459 -2.733 33 2HB ALA 5 3HB ALA 5 -4.738 -5.416 -1.486 34 3HB ALA 5 1HB ALA 5 -5.406 -3.902 -2.129 35 H GLY 6 H GLY 6 -2.123 -4.231 -4.988 36 1HA GLY 6 1HA GLY 6 0.126 -3.614 -4.228 37 2HA GLY 6 2HA GLY 6 -0.751 -2.221 -4.837 38 H GLN 7 H GLN 7 -1.479 -0.567 -3.272 39 HA GLN 7 HA GLN 7 0.213 -0.424 -0.859 40 1HB GLN 7 1HB GLN 7 0.074 1.523 -2.320 41 2HB GLN 7 2HB GLN 7 -1.668 1.594 -2.075 42 1HG GLN 7 2HG GLN 7 -1.338 2.043 0.350 43 2HG GLN 7 1HG GLN 7 0.404 2.014 0.112 44 1HE2 GLN 7 2HE2 GLN 7 -0.817 5.547 0.030 45 2HE2 GLN 7 1HE2 GLN 7 -1.218 4.248 1.152 46 H CYS 8 H CYS 8 -0.768 -2.220 0.214 47 HA CYS 8 HA CYS 8 -3.187 -2.954 0.965 48 1HB CYS 8 2HB CYS 8 -2.293 -3.616 3.204 49 2HB CYS 8 1HB CYS 8 -1.212 -4.018 1.865 50 H GLY 9 H GLY 9 -1.812 -0.078 2.543 51 1HA GLY 9 1HA GLY 9 -3.210 1.776 3.295 52 2HA GLY 9 2HA GLY 9 -4.499 0.658 3.694 53 H GLY 10 H GLY 10 -1.188 1.595 4.612 54 1HA GLY 10 1HA GLY 10 -1.496 0.470 7.367 55 2HA GLY 10 2HA GLY 10 -0.006 0.926 6.568 56 H ILE 11 H ILE 11 0.918 2.734 7.485 57 HA ILE 11 HA ILE 11 -0.469 3.931 9.675 58 HB ILE 11 HB ILE 11 2.182 4.733 8.509 59 1HG1 ILE 11 2HG1 ILE 11 1.540 2.807 10.799 60 2HG1 ILE 11 1HG1 ILE 11 2.005 2.290 9.178 61 1HG2 ILE 11 2HG2 ILE 11 1.197 6.456 10.044 62 2HG2 ILE 11 3HG2 ILE 11 0.953 5.203 11.274 63 3HG2 ILE 11 1HG2 ILE 11 2.589 5.694 10.795 64 1HD1 ILE 11 2HD1 ILE 11 4.183 3.380 9.389 65 2HD1 ILE 11 3HD1 ILE 11 3.801 3.853 11.057 66 3HD1 ILE 11 1HD1 ILE 11 3.917 2.144 10.618 67 H GLY 12 H GLY 12 -1.972 5.429 9.602 68 1HA GLY 12 1HA GLY 12 -3.336 7.146 8.990 69 2HA GLY 12 2HA GLY 12 -1.954 8.024 8.378 70 H TYR 13 H TYR 13 -3.175 4.873 7.244 71 HA TYR 13 HA TYR 13 -4.800 6.027 5.102 72 1HB TYR 13 1HB TYR 13 -2.223 4.520 4.608 73 2HB TYR 13 2HB TYR 13 -3.566 4.204 3.541 74 HD1 TYR 13 HD2 TYR 13 -4.873 6.333 2.609 75 HD2 TYR 13 HD1 TYR 13 -0.740 6.290 3.887 76 HE1 TYR 13 HE2 TYR 13 -4.356 8.168 1.018 77 HE2 TYR 13 HE1 TYR 13 -0.229 8.088 2.229 78 HH TYR 13 HH TYR 13 -2.773 9.561 0.232 79 H SER 14 H SER 14 -6.204 4.488 4.092 80 HA SER 14 HA SER 14 -6.501 1.791 5.165 81 1HB SER 14 1HB SER 14 -8.784 3.680 5.931 82 2HB SER 14 2HB SER 14 -8.513 1.996 6.407 83 HG SER 14 HG SER 14 -6.501 2.951 7.431 84 H GLY 15 H GLY 15 -8.038 4.464 3.373 85 1HA GLY 15 1HA GLY 15 -9.960 2.891 2.007 86 2HA GLY 15 2HA GLY 15 -9.423 4.502 1.522 87 HA PRO 16 HA PRO 16 -8.098 0.891 -1.326 88 1HB PRO 16 2HB PRO 16 -9.980 2.181 -3.311 89 2HB PRO 16 1HB PRO 16 -9.646 0.454 -3.028 90 1HG PRO 16 2HG PRO 16 -11.885 1.568 -2.018 91 2HG PRO 16 1HG PRO 16 -10.891 0.537 -0.946 92 1HD PRO 16 2HD PRO 16 -10.802 3.581 -1.151 93 2HD PRO 16 1HD PRO 16 -11.073 2.562 0.272 94 H THR 17 H THR 17 -6.130 2.530 -1.042 95 HA THR 17 HA THR 17 -5.375 3.979 -3.463 96 HB THR 17 HB THR 17 -3.135 4.115 -2.492 97 HG1 THR 17 HG1 THR 17 -4.194 2.263 -0.641 98 1HG2 THR 17 2HG2 THR 17 -4.930 5.717 -1.798 99 2HG2 THR 17 3HG2 THR 17 -5.281 4.678 -0.400 100 3HG2 THR 17 1HG2 THR 17 -3.688 5.440 -0.562 101 H VAL 18 H VAL 18 -6.263 1.872 -4.633 102 HA VAL 18 HA VAL 18 -4.551 -0.425 -4.522 103 HB VAL 18 HB VAL 18 -6.892 -0.601 -4.352 104 1HG1 VAL 18 2HG1 VAL 18 -7.612 1.178 -5.972 105 2HG1 VAL 18 3HG1 VAL 18 -7.209 0.087 -7.306 106 3HG1 VAL 18 1HG1 VAL 18 -8.470 -0.355 -6.149 107 1HG2 VAL 18 3HG2 VAL 18 -5.603 -2.542 -5.118 108 2HG2 VAL 18 1HG2 VAL 18 -7.238 -2.535 -5.802 109 3HG2 VAL 18 2HG2 VAL 18 -5.860 -2.079 -6.807 110 H CYS 19 H CYS 19 -2.591 0.060 -5.464 111 HA CYS 19 HA CYS 19 -2.244 0.303 -8.373 112 1HB CYS 19 1HB CYS 19 -0.706 1.439 -7.072 113 2HB CYS 19 2HB CYS 19 -0.503 0.124 -5.930 114 H ALA 20 H ALA 20 -0.498 -1.320 -9.346 115 HA ALA 20 HA ALA 20 -1.593 -3.779 -10.019 116 1HB ALA 20 2HB ALA 20 0.085 -2.475 -11.282 117 2HB ALA 20 3HB ALA 20 1.315 -2.872 -10.068 118 3HB ALA 20 1HB ALA 20 0.612 -4.144 -11.080 119 H SER 21 H SER 21 0.070 -5.814 -9.966 120 HA SER 21 HA SER 21 -0.515 -6.925 -7.347 121 1HB SER 21 1HB SER 21 0.543 -8.336 -9.827 122 2HB SER 21 2HB SER 21 -0.273 -9.057 -8.435 123 HG SER 21 HG SER 21 -2.058 -7.587 -8.930 124 H GLY 22 H GLY 22 0.909 -7.125 -5.757 125 1HA GLY 22 1HA GLY 22 3.410 -8.563 -6.141 126 2HA GLY 22 2HA GLY 22 3.665 -6.930 -5.517 127 H THR 23 H THR 23 2.836 -6.508 -3.344 128 HA THR 23 HA THR 23 0.816 -6.418 -2.161 129 HB THR 23 HB THR 23 0.449 -9.380 -1.829 130 HG1 THR 23 HG1 THR 23 0.428 -8.855 -4.067 131 1HG2 THR 23 3HG2 THR 23 -1.432 -6.964 -1.877 132 2HG2 THR 23 1HG2 THR 23 -1.961 -8.642 -1.699 133 3HG2 THR 23 2HG2 THR 23 -1.002 -7.887 -0.419 134 H THR 24 H THR 24 3.542 -6.442 -1.433 135 HA THR 24 HA THR 24 3.639 -7.522 1.320 136 HB THR 24 HB THR 24 5.905 -6.694 1.390 137 HG1 THR 24 HG1 THR 24 5.397 -5.702 -1.220 138 1HG2 THR 24 2HG2 THR 24 5.556 -8.917 0.339 139 2HG2 THR 24 3HG2 THR 24 5.388 -8.136 -1.252 140 3HG2 THR 24 1HG2 THR 24 6.927 -8.050 -0.386 141 H CYS 25 H CYS 25 2.835 -6.365 2.982 142 HA CYS 25 HA CYS 25 2.148 -3.560 2.711 143 1HB CYS 25 1HB CYS 25 0.868 -5.432 3.916 144 2HB CYS 25 2HB CYS 25 1.954 -5.139 5.279 145 H GLN 26 H GLN 26 4.347 -3.053 2.154 146 HA GLN 26 HA GLN 26 6.624 -2.800 3.817 147 1HB GLN 26 1HB GLN 26 6.595 -2.840 1.359 148 2HB GLN 26 2HB GLN 26 5.575 -1.417 1.305 149 1HG GLN 26 2HG GLN 26 7.744 -0.905 0.509 150 2HG GLN 26 1HG GLN 26 7.419 0.052 1.915 151 1HE2 GLN 26 2HE2 GLN 26 10.024 -2.764 3.081 152 2HE2 GLN 26 1HE2 GLN 26 8.334 -3.211 2.789 153 H VAL 27 H VAL 27 7.767 -0.471 4.057 154 HA VAL 27 HA VAL 27 5.917 1.737 4.334 155 HB VAL 27 HB VAL 27 6.208 0.422 6.666 156 1HG1 VAL 27 3HG2 VAL 27 8.663 0.693 6.783 157 2HG1 VAL 27 1HG2 VAL 27 8.452 2.459 6.868 158 3HG1 VAL 27 2HG2 VAL 27 7.810 1.420 8.150 159 1HG2 VAL 27 2HG1 VAL 27 5.873 3.376 6.188 160 2HG2 VAL 27 3HG1 VAL 27 4.643 2.141 6.463 161 3HG2 VAL 27 1HG1 VAL 27 5.708 2.634 7.795 162 H LEU 28 H LEU 28 6.814 3.715 3.868 163 HA LEU 28 HA LEU 28 9.711 3.748 3.009 164 1HB LEU 28 1HB LEU 28 7.685 5.604 1.740 165 2HB LEU 28 2HB LEU 28 9.249 5.072 1.169 166 HG LEU 28 HG LEU 28 6.685 3.416 1.278 167 1HD1 LEU 28 3HD1 LEU 28 8.038 4.961 -0.989 168 2HD1 LEU 28 1HD1 LEU 28 6.636 3.919 -1.186 169 3HD1 LEU 28 2HD1 LEU 28 6.502 5.386 -0.213 170 1HD2 LEU 28 2HD2 LEU 28 8.860 2.077 1.230 171 2HD2 LEU 28 3HD2 LEU 28 7.811 1.842 -0.178 172 3HD2 LEU 28 1HD2 LEU 28 9.242 2.877 -0.303 173 H ASN 29 H ASN 29 7.240 6.237 3.413 174 HA ASN 29 HA ASN 29 8.605 7.987 5.285 175 1HB ASN 29 1HB ASN 29 5.623 7.486 4.881 176 2HB ASN 29 2HB ASN 29 6.345 8.974 5.489 177 1HD2 ASN 29 1HD2 ASN 29 5.282 9.195 1.842 178 2HD2 ASN 29 2HD2 ASN 29 4.426 8.474 3.216 179 HA PRO 30 HA PRO 30 6.694 5.673 8.958 180 1HB PRO 30 2HB PRO 30 5.428 8.281 9.742 181 2HB PRO 30 1HB PRO 30 6.374 7.146 10.729 182 1HG PRO 30 2HG PRO 30 7.438 9.531 9.897 183 2HG PRO 30 1HG PRO 30 8.432 8.047 9.948 184 1HD PRO 30 2HD PRO 30 7.054 9.268 7.550 185 2HD PRO 30 1HD PRO 30 8.735 8.677 7.685 186 H TYR 31 H TYR 31 4.781 8.390 7.589 187 HA TYR 31 HA TYR 31 2.320 6.915 7.361 188 1HB TYR 31 2HB TYR 31 3.232 9.666 6.449 189 2HB TYR 31 1HB TYR 31 1.604 9.061 6.202 190 HD1 TYR 31 HD2 TYR 31 4.037 10.107 8.853 191 HD2 TYR 31 HD1 TYR 31 0.030 8.800 7.960 192 HE1 TYR 31 HE2 TYR 31 3.400 10.429 11.236 193 HE2 TYR 31 HE1 TYR 31 -0.600 9.104 10.370 194 HH TYR 31 HH TYR 31 1.787 10.203 12.775 195 H TYR 32 H TYR 32 2.942 5.079 6.001 196 HA TYR 32 HA TYR 32 1.752 5.388 3.480 197 1HB TYR 32 2HB TYR 32 4.368 6.188 3.141 198 2HB TYR 32 1HB TYR 32 4.578 4.503 2.910 199 HD1 TYR 32 HD2 TYR 32 2.371 7.389 1.822 200 HD2 TYR 32 HD1 TYR 32 4.225 3.647 0.699 201 HE1 TYR 32 HE2 TYR 32 1.777 7.792 -0.561 202 HE2 TYR 32 HE1 TYR 32 3.417 3.979 -1.639 203 HH TYR 32 HH TYR 32 1.876 6.988 -2.677 204 H SER 33 H SER 33 2.679 3.239 2.033 205 HA SER 33 HA SER 33 3.957 1.140 3.033 206 1HB SER 33 1HB SER 33 2.381 0.501 4.733 207 2HB SER 33 2HB SER 33 1.015 0.609 3.603 208 HG SER 33 HG SER 33 2.021 -1.162 2.431 209 H GLN 34 H GLN 34 4.748 1.119 0.882 210 HA GLN 34 HA GLN 34 2.870 1.371 -1.245 211 1HB GLN 34 1HB GLN 34 5.076 2.483 -1.051 212 2HB GLN 34 2HB GLN 34 5.873 0.973 -1.485 213 1HG GLN 34 1HG GLN 34 4.941 1.006 -3.706 214 2HG GLN 34 2HG GLN 34 3.745 2.237 -3.289 215 1HE2 GLN 34 2HE2 GLN 34 5.956 4.859 -4.099 216 2HE2 GLN 34 1HE2 GLN 34 4.329 4.466 -3.542 217 H CYS 35 H CYS 35 2.620 0.350 -3.073 218 HA CYS 35 HA CYS 35 2.184 -2.351 -3.556 219 1HB CYS 35 1HB CYS 35 1.279 -0.325 -4.670 220 2HB CYS 35 2HB CYS 35 2.844 -0.024 -5.410 221 H LEU 36 H LEU 36 4.369 -3.077 -2.544 222 HA LEU 36 HA LEU 36 6.157 -4.002 -4.776 223 1HB LEU 36 1HB LEU 36 6.571 -3.449 -1.828 224 2HB LEU 36 2HB LEU 36 7.516 -4.709 -2.606 225 HG LEU 36 HG LEU 36 8.721 -3.281 -3.944 226 1HD1 LEU 36 3HD1 LEU 36 6.657 -1.074 -3.530 227 2HD1 LEU 36 1HD1 LEU 36 8.236 -0.849 -4.306 228 3HD1 LEU 36 2HD1 LEU 36 7.054 -1.919 -5.049 229 1HD2 LEU 36 3HD2 LEU 36 9.207 -2.981 -1.488 230 2HD2 LEU 36 1HD2 LEU 36 9.627 -1.554 -2.460 231 3HD2 LEU 36 2HD2 LEU 36 8.133 -1.565 -1.509 No H/Q in entry = 231 Start of MODEL 11 1 1H THR 1 2H THR 1 -3.683 -6.902 -7.027 2 2H THR 1 3H THR 1 -3.991 -7.424 -8.561 3 3H THR 1 1H THR 1 -3.245 -5.974 -8.314 4 HA THR 1 HA THR 1 -5.180 -4.985 -7.457 5 HB THR 1 HB THR 1 -6.775 -5.242 -9.399 6 HG1 THR 1 HG1 THR 1 -6.022 -6.700 -11.037 7 1HG2 THR 1 2HG2 THR 1 -4.765 -3.744 -9.658 8 2HG2 THR 1 3HG2 THR 1 -3.828 -5.124 -10.266 9 3HG2 THR 1 1HG2 THR 1 -5.229 -4.540 -11.164 10 H GLN 2 H GLN 2 -6.391 -8.265 -8.462 11 HA GLN 2 HA GLN 2 -8.797 -7.951 -6.926 12 1HB GLN 2 1HB GLN 2 -7.659 -10.394 -8.313 13 2HB GLN 2 2HB GLN 2 -9.326 -10.215 -7.759 14 1HG GLN 2 1HG GLN 2 -8.046 -8.402 -9.881 15 2HG GLN 2 2HG GLN 2 -8.949 -9.869 -10.223 16 1HE2 GLN 2 2HE2 GLN 2 -11.112 -6.650 -9.000 17 2HE2 GLN 2 1HE2 GLN 2 -9.446 -6.708 -8.420 18 H SER 3 H SER 3 -6.270 -10.491 -6.381 19 HA SER 3 HA SER 3 -7.376 -11.366 -3.855 20 1HB SER 3 1HB SER 3 -5.184 -12.594 -3.711 21 2HB SER 3 2HB SER 3 -6.064 -12.866 -5.229 22 HG SER 3 HG SER 3 -3.737 -12.325 -5.468 23 H HIS 4 H HIS 4 -4.249 -9.882 -4.459 24 HA HIS 4 HA HIS 4 -4.717 -7.776 -2.386 25 1HB HIS 4 1HB HIS 4 -3.080 -9.567 -1.615 26 2HB HIS 4 2HB HIS 4 -2.018 -9.042 -2.915 27 HD2 HIS 4 HD2 HIS 4 -1.416 -8.900 0.424 28 HE1 HIS 4 HE1 HIS 4 -0.940 -4.809 -0.556 29 HE2 HIS 4 HE2 HIS 4 -0.428 -6.585 1.194 30 H ALA 5 H ALA 5 -3.150 -5.879 -2.920 31 HA ALA 5 HA ALA 5 -2.887 -5.341 -5.851 32 1HB ALA 5 2HB ALA 5 -5.090 -4.465 -4.961 33 2HB ALA 5 3HB ALA 5 -4.176 -3.452 -3.836 34 3HB ALA 5 1HB ALA 5 -4.028 -3.207 -5.589 35 H GLY 6 H GLY 6 -2.264 -2.508 -4.886 36 1HA GLY 6 1HA GLY 6 0.552 -2.871 -3.936 37 2HA GLY 6 2HA GLY 6 -0.176 -1.454 -4.700 38 H GLN 7 H GLN 7 -1.012 0.131 -3.406 39 HA GLN 7 HA GLN 7 -0.191 0.252 -0.752 40 1HB GLN 7 1HB GLN 7 -0.410 2.124 -2.417 41 2HB GLN 7 2HB GLN 7 -2.145 2.145 -2.051 42 1HG GLN 7 2HG GLN 7 -1.680 2.730 0.290 43 2HG GLN 7 1HG GLN 7 0.048 2.561 0.026 44 1HE2 GLN 7 2HE2 GLN 7 -1.071 6.197 -0.255 45 2HE2 GLN 7 1HE2 GLN 7 -1.870 4.966 0.721 46 H CYS 8 H CYS 8 -1.195 -1.693 0.011 47 HA CYS 8 HA CYS 8 -3.662 -2.406 0.824 48 1HB CYS 8 1HB CYS 8 -2.481 -3.290 2.932 49 2HB CYS 8 2HB CYS 8 -1.791 -3.745 1.380 50 H GLY 9 H GLY 9 -1.941 0.253 2.377 51 1HA GLY 9 1HA GLY 9 -3.239 2.076 3.434 52 2HA GLY 9 2HA GLY 9 -4.336 0.886 4.110 53 H GLY 10 H GLY 10 -1.434 2.620 4.631 54 1HA GLY 10 1HA GLY 10 -0.584 0.963 6.995 55 2HA GLY 10 2HA GLY 10 0.386 2.162 6.187 56 H ILE 11 H ILE 11 0.681 2.597 8.561 57 HA ILE 11 HA ILE 11 -1.087 3.218 10.487 58 HB ILE 11 HB ILE 11 1.566 4.625 10.156 59 1HG1 ILE 11 2HG1 ILE 11 0.936 2.068 11.705 60 2HG1 ILE 11 1HG1 ILE 11 1.701 2.089 10.115 61 1HG2 ILE 11 2HG2 ILE 11 0.089 5.690 11.909 62 2HG2 ILE 11 3HG2 ILE 11 -0.108 4.104 12.664 63 3HG2 ILE 11 1HG2 ILE 11 1.471 4.908 12.626 64 1HD1 ILE 11 2HD1 ILE 11 3.565 3.477 11.031 65 2HD1 ILE 11 3HD1 ILE 11 2.886 3.254 12.658 66 3HD1 ILE 11 1HD1 ILE 11 3.441 1.857 11.736 67 H GLY 12 H GLY 12 -2.930 4.245 9.743 68 1HA GLY 12 2HA GLY 12 -4.393 6.019 9.960 69 2HA GLY 12 1HA GLY 12 -3.059 7.135 10.229 70 H TYR 13 H TYR 13 -3.473 5.019 7.360 71 HA TYR 13 HA TYR 13 -4.566 7.281 5.727 72 1HB TYR 13 1HB TYR 13 -2.021 7.171 5.775 73 2HB TYR 13 2HB TYR 13 -2.134 5.660 4.892 74 HD1 TYR 13 HD1 TYR 13 -4.716 7.390 3.299 75 HD2 TYR 13 HD2 TYR 13 -0.462 7.804 3.979 76 HE1 TYR 13 HE1 TYR 13 -4.461 8.579 1.135 77 HE2 TYR 13 HE2 TYR 13 -0.210 8.841 1.738 78 HH TYR 13 HH TYR 13 -1.298 9.699 -0.048 79 H SER 14 H SER 14 -6.293 5.502 6.434 80 HA SER 14 HA SER 14 -6.360 3.065 4.875 81 1HB SER 14 1HB SER 14 -8.512 4.215 6.698 82 2HB SER 14 2HB SER 14 -8.344 2.547 6.133 83 HG SER 14 HG SER 14 -7.469 2.783 8.231 84 H GLY 15 H GLY 15 -6.566 3.782 2.593 85 1HA GLY 15 1HA GLY 15 -9.315 3.734 1.799 86 2HA GLY 15 2HA GLY 15 -8.684 5.382 1.571 87 HA PRO 16 HA PRO 16 -8.396 2.534 -2.203 88 1HB PRO 16 2HB PRO 16 -9.839 4.911 -3.412 89 2HB PRO 16 1HB PRO 16 -10.050 3.178 -3.768 90 1HG PRO 16 2HG PRO 16 -11.799 4.431 -2.136 91 2HG PRO 16 1HG PRO 16 -11.140 2.853 -1.616 92 1HD PRO 16 1HD PRO 16 -10.175 5.633 -0.823 93 2HD PRO 16 2HD PRO 16 -10.623 4.258 0.206 94 H THR 17 H THR 17 -6.068 3.725 -1.542 95 HA THR 17 HA THR 17 -5.028 5.520 -3.624 96 HB THR 17 HB THR 17 -2.958 5.325 -2.260 97 HG1 THR 17 HG1 THR 17 -4.565 3.765 -0.474 98 1HG2 THR 17 2HG2 THR 17 -4.618 7.061 -1.661 99 2HG2 THR 17 3HG2 THR 17 -5.452 5.911 -0.595 100 3HG2 THR 17 1HG2 THR 17 -3.799 6.420 -0.232 101 H VAL 18 H VAL 18 -5.933 3.236 -4.840 102 HA VAL 18 HA VAL 18 -4.185 1.040 -4.317 103 HB VAL 18 HB VAL 18 -6.527 0.886 -4.193 104 1HG1 VAL 18 2HG1 VAL 18 -7.249 2.319 -6.096 105 2HG1 VAL 18 3HG1 VAL 18 -6.731 1.059 -7.230 106 3HG1 VAL 18 1HG1 VAL 18 -8.031 0.735 -6.076 107 1HG2 VAL 18 3HG2 VAL 18 -5.183 -1.136 -4.540 108 2HG2 VAL 18 1HG2 VAL 18 -6.812 -1.299 -5.222 109 3HG2 VAL 18 2HG2 VAL 18 -5.431 -1.023 -6.294 110 H CYS 19 H CYS 19 -2.203 1.700 -5.307 111 HA CYS 19 HA CYS 19 -1.558 1.293 -8.036 112 1HB CYS 19 2HB CYS 19 -0.041 2.179 -6.423 113 2HB CYS 19 1HB CYS 19 -0.042 0.709 -5.471 114 H ALA 20 H ALA 20 -0.322 -0.551 -8.940 115 HA ALA 20 HA ALA 20 -2.089 -2.588 -9.600 116 1HB ALA 20 2HB ALA 20 -0.405 -1.449 -11.024 117 2HB ALA 20 3HB ALA 20 0.879 -2.377 -10.230 118 3HB ALA 20 1HB ALA 20 -0.354 -3.198 -11.209 119 H SER 21 H SER 21 -0.305 -4.929 -10.067 120 HA SER 21 HA SER 21 -1.045 -6.394 -7.609 121 1HB SER 21 1HB SER 21 -0.395 -8.385 -8.990 122 2HB SER 21 2HB SER 21 -1.674 -7.402 -9.717 123 HG SER 21 HG SER 21 1.090 -7.275 -10.324 124 H GLY 22 H GLY 22 0.534 -5.369 -6.165 125 1HA GLY 22 1HA GLY 22 3.315 -6.432 -6.247 126 2HA GLY 22 2HA GLY 22 2.543 -5.473 -4.989 127 H THR 23 H THR 23 0.745 -6.573 -3.820 128 HA THR 23 HA THR 23 0.037 -8.211 -2.359 129 HB THR 23 HB THR 23 2.136 -10.219 -3.206 130 HG1 THR 23 HG1 THR 23 0.882 -9.555 -4.948 131 1HG2 THR 23 3HG2 THR 23 -0.597 -10.448 -1.854 132 2HG2 THR 23 1HG2 THR 23 0.290 -11.817 -2.528 133 3HG2 THR 23 2HG2 THR 23 0.960 -10.928 -1.160 134 H THR 24 H THR 24 2.149 -6.233 -2.197 135 HA THR 24 HA THR 24 4.003 -7.210 -0.095 136 HB THR 24 HB THR 24 5.570 -5.634 -1.438 137 HG1 THR 24 HG1 THR 24 4.833 -5.473 -3.647 138 1HG2 THR 24 2HG2 THR 24 5.690 -8.124 -1.568 139 2HG2 THR 24 3HG2 THR 24 4.477 -8.110 -2.866 140 3HG2 THR 24 1HG2 THR 24 6.049 -7.343 -3.107 141 H CYS 25 H CYS 25 2.518 -6.333 1.481 142 HA CYS 25 HA CYS 25 2.116 -3.473 1.724 143 1HB CYS 25 1HB CYS 25 0.671 -5.429 2.636 144 2HB CYS 25 2HB CYS 25 1.828 -5.498 3.961 145 H GLN 26 H GLN 26 4.576 -3.306 1.269 146 HA GLN 26 HA GLN 26 6.093 -2.771 3.784 147 1HB GLN 26 1HB GLN 26 7.142 -4.550 2.496 148 2HB GLN 26 2HB GLN 26 7.020 -3.628 1.007 149 1HG GLN 26 2HG GLN 26 9.317 -3.683 1.772 150 2HG GLN 26 1HG GLN 26 8.733 -2.035 1.754 151 1HE2 GLN 26 1HE2 GLN 26 8.898 -3.264 5.607 152 2HE2 GLN 26 2HE2 GLN 26 7.664 -3.955 4.536 153 H VAL 27 H VAL 27 7.649 -0.849 3.544 154 HA VAL 27 HA VAL 27 5.954 1.382 2.486 155 HB VAL 27 HB VAL 27 5.311 0.716 4.727 156 1HG1 VAL 27 3HG2 VAL 27 7.444 -0.253 5.577 157 2HG1 VAL 27 1HG2 VAL 27 8.163 1.368 5.611 158 3HG1 VAL 27 2HG2 VAL 27 6.798 0.974 6.665 159 1HG2 VAL 27 2HG1 VAL 27 5.227 3.128 4.064 160 2HG2 VAL 27 3HG1 VAL 27 5.467 2.880 5.810 161 3HG2 VAL 27 1HG1 VAL 27 6.837 3.337 4.792 162 H LEU 28 H LEU 28 6.762 3.308 2.003 163 HA LEU 28 HA LEU 28 9.634 3.816 1.727 164 1HB LEU 28 1HB LEU 28 7.176 5.608 1.384 165 2HB LEU 28 2HB LEU 28 8.843 6.107 1.119 166 HG LEU 28 HG LEU 28 9.057 4.355 -0.669 167 1HD1 LEU 28 3HD1 LEU 28 6.045 4.101 -0.219 168 2HD1 LEU 28 1HD1 LEU 28 6.860 3.614 -1.713 169 3HD1 LEU 28 2HD1 LEU 28 7.249 2.788 -0.215 170 1HD2 LEU 28 3HD2 LEU 28 6.897 6.489 -1.004 171 2HD2 LEU 28 1HD2 LEU 28 8.645 6.733 -1.179 172 3HD2 LEU 28 2HD2 LEU 28 7.779 5.709 -2.329 173 H ASN 29 H ASN 29 7.161 5.737 3.468 174 HA ASN 29 HA ASN 29 8.904 5.986 5.878 175 1HB ASN 29 1HB ASN 29 7.904 8.169 6.249 176 2HB ASN 29 2HB ASN 29 8.729 8.092 4.694 177 1HD2 ASN 29 1HD2 ASN 29 5.004 9.334 4.592 178 2HD2 ASN 29 2HD2 ASN 29 6.035 9.453 6.017 179 HA PRO 30 HA PRO 30 6.048 3.382 8.038 180 1HB PRO 30 2HB PRO 30 6.297 5.537 10.159 181 2HB PRO 30 1HB PRO 30 6.160 3.768 10.390 182 1HG PRO 30 1HG PRO 30 8.623 4.871 10.327 183 2HG PRO 30 2HG PRO 30 8.307 3.390 9.382 184 1HD PRO 30 2HD PRO 30 8.527 6.228 8.391 185 2HD PRO 30 1HD PRO 30 9.068 4.698 7.635 186 H TYR 31 H TYR 31 4.933 6.792 8.032 187 HA TYR 31 HA TYR 31 2.152 6.130 8.582 188 1HB TYR 31 1HB TYR 31 3.535 8.675 7.692 189 2HB TYR 31 2HB TYR 31 1.815 8.561 8.023 190 HD1 TYR 31 HD1 TYR 31 0.925 8.110 10.276 191 HD2 TYR 31 HD2 TYR 31 5.162 8.627 9.608 192 HE1 TYR 31 HE1 TYR 31 1.323 8.004 12.722 193 HE2 TYR 31 HE2 TYR 31 5.538 8.582 12.079 194 HH TYR 31 HH TYR 31 2.848 8.087 14.358 195 H TYR 32 H TYR 32 3.187 4.647 6.360 196 HA TYR 32 HA TYR 32 0.700 4.293 5.335 197 1HB TYR 32 2HB TYR 32 0.608 4.734 3.076 198 2HB TYR 32 1HB TYR 32 1.041 6.203 3.853 199 HD1 TYR 32 HD1 TYR 32 2.507 3.458 1.645 200 HD2 TYR 32 HD2 TYR 32 3.149 7.443 3.116 201 HE1 TYR 32 HE1 TYR 32 2.188 4.318 -0.615 202 HE2 TYR 32 HE2 TYR 32 3.017 8.294 0.758 203 HH TYR 32 HH TYR 32 1.459 6.186 -1.691 204 H SER 33 H SER 33 1.062 2.692 3.085 205 HA SER 33 HA SER 33 3.472 1.127 3.199 206 1HB SER 33 1HB SER 33 2.393 0.075 5.117 207 2HB SER 33 2HB SER 33 0.934 -0.250 4.165 208 HG SER 33 HG SER 33 2.694 -1.979 4.309 209 H GLN 34 H GLN 34 3.900 0.471 1.140 210 HA GLN 34 HA GLN 34 1.880 1.433 -0.826 211 1HB GLN 34 1HB GLN 34 3.933 2.774 -0.314 212 2HB GLN 34 2HB GLN 34 4.888 1.512 -1.022 213 1HG GLN 34 1HG GLN 34 2.796 2.143 -2.948 214 2HG GLN 34 2HG GLN 34 3.348 3.677 -2.313 215 1HE2 GLN 34 2HE2 GLN 34 5.796 3.515 -4.825 216 2HE2 GLN 34 1HE2 GLN 34 4.441 4.441 -4.165 217 H CYS 35 H CYS 35 4.499 0.176 -2.560 218 HA CYS 35 HA CYS 35 2.922 -2.163 -3.533 219 1HB CYS 35 1HB CYS 35 1.850 0.000 -4.232 220 2HB CYS 35 2HB CYS 35 3.349 0.458 -5.031 221 H LEU 36 H LEU 36 4.982 -3.212 -2.923 222 HA LEU 36 HA LEU 36 7.177 -2.876 -4.911 223 1HB LEU 36 1HB LEU 36 7.988 -3.188 -2.029 224 2HB LEU 36 2HB LEU 36 8.820 -2.477 -3.395 225 HG LEU 36 HG LEU 36 6.937 -0.584 -3.144 226 1HD1 LEU 36 3HD1 LEU 36 5.703 -1.909 -1.290 227 2HD1 LEU 36 1HD1 LEU 36 7.148 -1.698 -0.300 228 3HD1 LEU 36 2HD1 LEU 36 6.218 -0.285 -0.810 229 1HD2 LEU 36 3HD2 LEU 36 9.276 -0.841 -1.214 230 2HD2 LEU 36 1HD2 LEU 36 9.316 -0.143 -2.848 231 3HD2 LEU 36 2HD2 LEU 36 8.376 0.649 -1.573 No H/Q in entry = 231 Start of MODEL 12 1 1H THR 1 1H THR 1 -3.783 -8.490 -8.657 2 2H THR 1 2H THR 1 -2.659 -7.301 -8.771 3 3H THR 1 3H THR 1 -2.945 -7.992 -7.313 4 HA THR 1 HA THR 1 -3.878 -5.994 -7.130 5 HB THR 1 HB THR 1 -5.508 -6.133 -9.659 6 HG1 THR 1 HG1 THR 1 -3.787 -4.650 -10.344 7 1HG2 THR 1 3HG2 THR 1 -4.594 -3.845 -7.811 8 2HG2 THR 1 1HG2 THR 1 -5.505 -3.646 -9.308 9 3HG2 THR 1 2HG2 THR 1 -6.235 -4.468 -7.928 10 H GLN 2 H GLN 2 -6.344 -8.148 -8.777 11 HA GLN 2 HA GLN 2 -8.171 -7.762 -6.462 12 1HB GLN 2 1HB GLN 2 -8.541 -9.112 -9.148 13 2HB GLN 2 2HB GLN 2 -9.788 -8.882 -7.918 14 1HG GLN 2 1HG GLN 2 -8.284 -6.598 -9.317 15 2HG GLN 2 2HG GLN 2 -9.892 -7.180 -9.721 16 1HE2 GLN 2 2HE2 GLN 2 -9.549 -4.843 -6.411 17 2HE2 GLN 2 1HE2 GLN 2 -8.067 -5.647 -6.916 18 H SER 3 H SER 3 -6.764 -8.689 -5.046 19 HA SER 3 HA SER 3 -7.385 -11.056 -3.842 20 1HB SER 3 1HB SER 3 -6.612 -12.498 -5.555 21 2HB SER 3 2HB SER 3 -5.169 -11.531 -5.866 22 HG SER 3 HG SER 3 -5.685 -13.114 -3.554 23 H HIS 4 H HIS 4 -3.938 -10.366 -4.374 24 HA HIS 4 HA HIS 4 -4.056 -8.199 -2.311 25 1HB HIS 4 1HB HIS 4 -2.500 -10.170 -1.843 26 2HB HIS 4 2HB HIS 4 -1.496 -9.544 -3.153 27 HD2 HIS 4 HD2 HIS 4 -0.235 -9.640 -0.204 28 HE1 HIS 4 HE1 HIS 4 -0.802 -5.439 -0.221 29 HE2 HIS 4 HE2 HIS 4 0.478 -7.350 0.885 30 H ALA 5 H ALA 5 -2.840 -6.328 -2.725 31 HA ALA 5 HA ALA 5 -2.705 -5.386 -5.534 32 1HB ALA 5 2HB ALA 5 -5.029 -5.037 -4.498 33 2HB ALA 5 3HB ALA 5 -4.259 -4.059 -3.249 34 3HB ALA 5 1HB ALA 5 -4.234 -3.527 -4.944 35 H GLY 6 H GLY 6 -2.351 -2.731 -5.137 36 1HA GLY 6 1HA GLY 6 0.306 -2.413 -3.971 37 2HA GLY 6 2HA GLY 6 -0.737 -1.194 -4.712 38 H GLN 7 H GLN 7 -0.838 0.430 -3.305 39 HA GLN 7 HA GLN 7 -0.111 0.464 -0.688 40 1HB GLN 7 1HB GLN 7 -0.022 2.331 -2.115 41 2HB GLN 7 2HB GLN 7 -1.776 2.447 -2.255 42 1HG GLN 7 2HG GLN 7 -2.058 3.348 -0.115 43 2HG GLN 7 1HG GLN 7 -0.538 2.730 0.484 44 1HE2 GLN 7 2HE2 GLN 7 0.288 6.217 0.117 45 2HE2 GLN 7 1HE2 GLN 7 -0.350 5.077 1.293 46 H CYS 8 H CYS 8 -1.217 -1.356 0.193 47 HA CYS 8 HA CYS 8 -3.431 -2.132 1.133 48 1HB CYS 8 2HB CYS 8 -1.352 -1.290 3.199 49 2HB CYS 8 1HB CYS 8 -2.534 -2.587 3.362 50 H GLY 9 H GLY 9 -2.429 1.045 2.235 51 1HA GLY 9 1HA GLY 9 -3.645 2.635 3.537 52 2HA GLY 9 2HA GLY 9 -4.772 1.391 4.089 53 H GLY 10 H GLY 10 -1.887 3.052 4.820 54 1HA GLY 10 1HA GLY 10 -0.681 0.959 6.590 55 2HA GLY 10 2HA GLY 10 0.038 2.483 6.080 56 H ILE 11 H ILE 11 0.519 3.454 8.005 57 HA ILE 11 HA ILE 11 -1.426 3.555 10.236 58 HB ILE 11 HB ILE 11 1.363 4.730 10.026 59 1HG1 ILE 11 2HG1 ILE 11 0.391 2.061 11.172 60 2HG1 ILE 11 1HG1 ILE 11 1.426 2.278 9.756 61 1HG2 ILE 11 2HG2 ILE 11 -0.137 5.779 11.751 62 2HG2 ILE 11 3HG2 ILE 11 -0.409 4.170 12.452 63 3HG2 ILE 11 1HG2 ILE 11 1.207 4.905 12.475 64 1HD1 ILE 11 2HD1 ILE 11 3.167 3.329 11.205 65 2HD1 ILE 11 3HD1 ILE 11 2.195 2.861 12.625 66 3HD1 ILE 11 1HD1 ILE 11 2.834 1.619 11.539 67 H GLY 12 H GLY 12 -3.005 5.084 10.177 68 1HA GLY 12 1HA GLY 12 -4.154 7.048 9.808 69 2HA GLY 12 2HA GLY 12 -2.602 7.883 9.867 70 H TYR 13 H TYR 13 -3.759 5.518 7.466 71 HA TYR 13 HA TYR 13 -4.467 7.475 5.418 72 1HB TYR 13 1HB TYR 13 -1.926 7.422 5.396 73 2HB TYR 13 2HB TYR 13 -2.004 5.725 4.992 74 HD1 TYR 13 HD2 TYR 13 -2.716 9.187 3.850 75 HD2 TYR 13 HD1 TYR 13 -2.660 5.022 2.684 76 HE1 TYR 13 HE2 TYR 13 -2.743 9.848 1.443 77 HE2 TYR 13 HE1 TYR 13 -2.772 5.715 0.290 78 HH TYR 13 HH TYR 13 -2.675 7.420 -1.163 79 H SER 14 H SER 14 -6.153 6.495 4.248 80 HA SER 14 HA SER 14 -6.322 3.559 3.931 81 1HB SER 14 1HB SER 14 -8.221 5.029 5.822 82 2HB SER 14 2HB SER 14 -8.254 3.308 5.436 83 HG SER 14 HG SER 14 -5.868 3.608 6.326 84 H GLY 15 H GLY 15 -8.445 2.812 3.086 85 1HA GLY 15 1HA GLY 15 -10.464 3.043 1.921 86 2HA GLY 15 2HA GLY 15 -10.202 4.781 1.737 87 HA PRO 16 HA PRO 16 -9.470 2.698 -2.393 88 1HB PRO 16 2HB PRO 16 -11.050 5.122 -3.275 89 2HB PRO 16 1HB PRO 16 -11.130 3.446 -3.877 90 1HG PRO 16 2HG PRO 16 -13.029 4.350 -2.178 91 2HG PRO 16 1HG PRO 16 -12.292 2.752 -1.864 92 1HD PRO 16 1HD PRO 16 -11.499 5.423 -0.617 93 2HD PRO 16 2HD PRO 16 -11.939 3.899 0.201 94 H THR 17 H THR 17 -7.305 3.781 -1.348 95 HA THR 17 HA THR 17 -6.181 5.681 -3.387 96 HB THR 17 HB THR 17 -6.559 6.907 -1.397 97 HG1 THR 17 HG1 THR 17 -4.491 7.652 -1.196 98 1HG2 THR 17 2HG2 THR 17 -4.909 4.850 0.141 99 2HG2 THR 17 3HG2 THR 17 -5.451 6.429 0.751 100 3HG2 THR 17 1HG2 THR 17 -6.629 5.189 0.342 101 H VAL 18 H VAL 18 -5.864 3.616 -4.435 102 HA VAL 18 HA VAL 18 -3.677 1.897 -3.337 103 HB VAL 18 HB VAL 18 -5.935 1.115 -2.755 104 1HG1 VAL 18 3HG2 VAL 18 -7.206 1.861 -4.747 105 2HG1 VAL 18 1HG2 VAL 18 -6.345 0.677 -5.749 106 3HG1 VAL 18 2HG2 VAL 18 -7.417 0.129 -4.449 107 1HG2 VAL 18 2HG1 VAL 18 -4.021 -0.478 -3.015 108 2HG2 VAL 18 3HG1 VAL 18 -5.617 -1.197 -3.271 109 3HG2 VAL 18 1HG1 VAL 18 -4.594 -0.835 -4.661 110 H CYS 19 H CYS 19 -2.740 0.376 -4.779 111 HA CYS 19 HA CYS 19 -2.426 1.292 -7.617 112 1HB CYS 19 1HB CYS 19 -0.646 2.263 -6.522 113 2HB CYS 19 2HB CYS 19 -0.378 0.934 -5.427 114 H ALA 20 H ALA 20 -1.152 -0.342 -8.898 115 HA ALA 20 HA ALA 20 -2.790 -2.410 -9.575 116 1HB ALA 20 2HB ALA 20 -1.165 -1.224 -11.013 117 2HB ALA 20 3HB ALA 20 0.169 -2.078 -10.226 118 3HB ALA 20 1HB ALA 20 -1.022 -2.971 -11.195 119 H SER 21 H SER 21 0.043 -4.159 -9.751 120 HA SER 21 HA SER 21 -0.796 -6.020 -7.554 121 1HB SER 21 1HB SER 21 -0.974 -6.675 -10.185 122 2HB SER 21 2HB SER 21 0.710 -7.110 -9.925 123 HG SER 21 HG SER 21 0.054 -8.594 -8.406 124 H GLY 22 H GLY 22 0.896 -7.313 -6.608 125 1HA GLY 22 2HA GLY 22 3.702 -6.973 -6.951 126 2HA GLY 22 1HA GLY 22 3.147 -5.798 -5.750 127 H THR 23 H THR 23 1.459 -6.854 -4.225 128 HA THR 23 HA THR 23 0.686 -8.449 -2.787 129 HB THR 23 HB THR 23 2.917 -10.375 -3.527 130 HG1 THR 23 HG1 THR 23 1.837 -10.664 -5.276 131 1HG2 THR 23 3HG2 THR 23 0.179 -10.886 -2.294 132 2HG2 THR 23 1HG2 THR 23 1.329 -12.113 -2.838 133 3HG2 THR 23 2HG2 THR 23 1.736 -11.093 -1.470 134 H THR 24 H THR 24 2.431 -6.331 -2.262 135 HA THR 24 HA THR 24 4.377 -7.208 -0.171 136 HB THR 24 HB THR 24 5.776 -5.384 -1.330 137 HG1 THR 24 HG1 THR 24 4.859 -5.515 -3.706 138 1HG2 THR 24 2HG2 THR 24 6.136 -7.862 -1.635 139 2HG2 THR 24 3HG2 THR 24 5.073 -7.795 -3.053 140 3HG2 THR 24 1HG2 THR 24 6.579 -6.882 -3.037 141 H CYS 25 H CYS 25 2.706 -6.566 1.423 142 HA CYS 25 HA CYS 25 2.256 -3.716 1.838 143 1HB CYS 25 1HB CYS 25 0.862 -5.831 2.688 144 2HB CYS 25 2HB CYS 25 1.911 -5.680 4.094 145 H GLN 26 H GLN 26 3.592 -2.274 2.861 146 HA GLN 26 HA GLN 26 6.285 -3.209 3.802 147 1HB GLN 26 1HB GLN 26 6.090 -3.359 1.349 148 2HB GLN 26 2HB GLN 26 5.596 -1.673 1.247 149 1HG GLN 26 2HG GLN 26 7.946 -2.121 0.524 150 2HG GLN 26 1HG GLN 26 7.821 -0.905 1.779 151 1HE2 GLN 26 2HE2 GLN 26 9.281 -4.507 3.078 152 2HE2 GLN 26 1HE2 GLN 26 7.783 -4.531 2.137 153 H VAL 27 H VAL 27 7.864 -1.199 3.906 154 HA VAL 27 HA VAL 27 6.547 1.247 4.996 155 HB VAL 27 HB VAL 27 7.082 -0.027 6.904 156 1HG1 VAL 27 3HG2 VAL 27 8.698 -1.672 6.071 157 2HG1 VAL 27 1HG2 VAL 27 9.936 -0.417 5.912 158 3HG1 VAL 27 2HG2 VAL 27 9.313 -0.847 7.504 159 1HG2 VAL 27 2HG1 VAL 27 7.599 2.371 6.973 160 2HG2 VAL 27 3HG1 VAL 27 8.610 1.441 8.094 161 3HG2 VAL 27 1HG1 VAL 27 9.298 2.043 6.575 162 H LEU 28 H LEU 28 6.956 2.530 3.182 163 HA LEU 28 HA LEU 28 9.765 3.121 2.358 164 1HB LEU 28 1HB LEU 28 7.045 4.320 1.681 165 2HB LEU 28 2HB LEU 28 8.535 5.196 1.366 166 HG LEU 28 HG LEU 28 9.405 3.289 0.029 167 1HD1 LEU 28 3HD1 LEU 28 6.580 2.191 0.398 168 2HD1 LEU 28 1HD1 LEU 28 7.716 1.642 -0.851 169 3HD1 LEU 28 2HD1 LEU 28 8.105 1.399 0.854 170 1HD2 LEU 28 3HD2 LEU 28 8.335 5.279 -0.996 171 2HD2 LEU 28 1HD2 LEU 28 8.085 3.812 -1.944 172 3HD2 LEU 28 2HD2 LEU 28 6.764 4.453 -0.943 173 H ASN 29 H ASN 29 7.222 4.689 4.173 174 HA ASN 29 HA ASN 29 9.079 5.316 6.349 175 1HB ASN 29 1HB ASN 29 8.123 7.560 6.777 176 2HB ASN 29 2HB ASN 29 8.851 7.498 5.187 177 1HD2 ASN 29 1HD2 ASN 29 5.764 8.231 3.593 178 2HD2 ASN 29 2HD2 ASN 29 7.466 7.831 3.357 179 HA PRO 30 HA PRO 30 6.033 3.142 8.659 180 1HB PRO 30 2HB PRO 30 5.220 4.784 10.820 181 2HB PRO 30 1HB PRO 30 6.627 3.696 10.751 182 1HG PRO 30 2HG PRO 30 6.524 6.665 10.196 183 2HG PRO 30 1HG PRO 30 7.748 5.754 11.124 184 1HD PRO 30 2HD PRO 30 8.254 6.511 8.611 185 2HD PRO 30 1HD PRO 30 8.718 4.871 9.116 186 H TYR 31 H TYR 31 4.873 6.427 7.891 187 HA TYR 31 HA TYR 31 2.058 5.612 7.919 188 1HB TYR 31 1HB TYR 31 3.289 8.199 6.936 189 2HB TYR 31 2HB TYR 31 1.593 7.873 7.268 190 HD1 TYR 31 HD2 TYR 31 4.958 8.299 8.848 191 HD2 TYR 31 HD1 TYR 31 0.699 8.118 9.533 192 HE1 TYR 31 HE2 TYR 31 5.320 8.695 11.278 193 HE2 TYR 31 HE1 TYR 31 1.080 8.452 11.967 194 HH TYR 31 HH TYR 31 4.364 8.781 13.312 195 H TYR 32 H TYR 32 4.483 4.996 5.643 196 HA TYR 32 HA TYR 32 2.468 4.747 3.453 197 1HB TYR 32 2HB TYR 32 4.094 6.722 3.385 198 2HB TYR 32 1HB TYR 32 5.320 5.549 2.919 199 HD1 TYR 32 HD1 TYR 32 3.069 3.863 1.219 200 HD2 TYR 32 HD2 TYR 32 4.318 8.005 1.313 201 HE1 TYR 32 HE1 TYR 32 2.426 4.096 -1.125 202 HE2 TYR 32 HE2 TYR 32 3.570 8.237 -1.056 203 HH TYR 32 HH TYR 32 1.910 5.661 -2.746 204 H SER 33 H SER 33 2.066 2.644 3.706 205 HA SER 33 HA SER 33 4.041 0.634 2.682 206 1HB SER 33 1HB SER 33 2.391 -0.224 4.341 207 2HB SER 33 2HB SER 33 1.060 0.384 3.345 208 HG SER 33 HG SER 33 1.639 -1.097 1.711 209 H GLN 34 H GLN 34 4.052 -0.020 0.532 210 HA GLN 34 HA GLN 34 2.279 1.544 -1.337 211 1HB GLN 34 1HB GLN 34 4.535 2.487 -0.939 212 2HB GLN 34 2HB GLN 34 5.256 1.045 -1.642 213 1HG GLN 34 1HG GLN 34 4.179 1.594 -3.832 214 2HG GLN 34 2HG GLN 34 3.268 2.904 -3.087 215 1HE2 GLN 34 2HE2 GLN 34 5.959 5.112 -3.692 216 2HE2 GLN 34 1HE2 GLN 34 4.261 4.993 -3.233 217 H CYS 35 H CYS 35 4.496 -0.304 -3.066 218 HA CYS 35 HA CYS 35 2.575 -2.352 -3.928 219 1HB CYS 35 1HB CYS 35 1.440 -0.148 -4.396 220 2HB CYS 35 2HB CYS 35 2.828 0.345 -5.346 221 H LEU 36 H LEU 36 4.603 -3.549 -3.836 222 HA LEU 36 HA LEU 36 6.684 -2.831 -5.868 223 1HB LEU 36 1HB LEU 36 6.997 -4.475 -3.329 224 2HB LEU 36 2HB LEU 36 8.240 -3.927 -4.438 225 HG LEU 36 HG LEU 36 8.504 -2.543 -2.631 226 1HD1 LEU 36 3HD1 LEU 36 8.296 -1.212 -4.740 227 2HD1 LEU 36 1HD1 LEU 36 6.643 -0.781 -4.260 228 3HD1 LEU 36 2HD1 LEU 36 8.004 -0.294 -3.252 229 1HD2 LEU 36 3HD2 LEU 36 5.498 -2.281 -2.265 230 2HD2 LEU 36 1HD2 LEU 36 6.667 -3.102 -1.243 231 3HD2 LEU 36 2HD2 LEU 36 6.707 -1.338 -1.395 No H/Q in entry = 231 Start of MODEL 13 1 1H THR 1 3H THR 1 -8.286 -6.718 -8.123 2 2H THR 1 1H THR 1 -7.760 -7.889 -9.183 3 3H THR 1 2H THR 1 -7.293 -7.914 -7.606 4 HA THR 1 HA THR 1 -5.437 -7.247 -8.613 5 HB THR 1 HB THR 1 -6.995 -5.645 -10.680 6 HG1 THR 1 HG1 THR 1 -6.392 -7.645 -11.873 7 1HG2 THR 1 1HG2 THR 1 -4.188 -6.874 -10.655 8 2HG2 THR 1 2HG2 THR 1 -4.921 -5.993 -12.016 9 3HG2 THR 1 3HG2 THR 1 -4.521 -5.129 -10.512 10 H GLN 2 H GLN 2 -6.838 -4.035 -9.416 11 HA GLN 2 HA GLN 2 -5.750 -2.628 -7.171 12 1HB GLN 2 1HB GLN 2 -8.123 -2.054 -9.009 13 2HB GLN 2 2HB GLN 2 -7.507 -0.944 -7.779 14 1HG GLN 2 1HG GLN 2 -6.629 -0.301 -9.938 15 2HG GLN 2 2HG GLN 2 -5.333 -0.794 -8.852 16 1HE2 GLN 2 2HE2 GLN 2 -4.152 -2.465 -11.768 17 2HE2 GLN 2 1HE2 GLN 2 -3.918 -1.095 -10.673 18 H SER 3 H SER 3 -8.767 -4.417 -7.578 19 HA SER 3 HA SER 3 -9.844 -4.226 -4.912 20 1HB SER 3 1HB SER 3 -11.081 -6.267 -5.667 21 2HB SER 3 2HB SER 3 -11.172 -4.919 -6.805 22 HG SER 3 HG SER 3 -10.668 -7.007 -7.777 23 H HIS 4 H HIS 4 -6.797 -5.247 -5.367 24 HA HIS 4 HA HIS 4 -6.887 -7.128 -3.076 25 1HB HIS 4 1HB HIS 4 -5.193 -7.397 -5.592 26 2HB HIS 4 2HB HIS 4 -4.830 -8.225 -4.087 27 HD2 HIS 4 HD2 HIS 4 -6.251 -10.465 -3.495 28 HE1 HIS 4 HE1 HIS 4 -8.340 -10.609 -7.174 29 HE2 HIS 4 HE2 HIS 4 -7.733 -11.937 -5.087 30 H ALA 5 H ALA 5 -4.605 -7.169 -2.054 31 HA ALA 5 HA ALA 5 -3.666 -4.528 -1.423 32 1HB ALA 5 2HB ALA 5 -3.525 -6.409 0.117 33 2HB ALA 5 3HB ALA 5 -2.406 -7.254 -0.977 34 3HB ALA 5 1HB ALA 5 -1.917 -5.730 -0.199 35 H GLY 6 H GLY 6 -3.263 -3.555 -3.508 36 1HA GLY 6 1HA GLY 6 -0.422 -3.945 -4.421 37 2HA GLY 6 2HA GLY 6 -1.484 -2.566 -4.801 38 H GLN 7 H GLN 7 -1.166 -0.749 -3.537 39 HA GLN 7 HA GLN 7 0.209 -0.455 -1.059 40 1HB GLN 7 1HB GLN 7 -0.524 1.380 -2.332 41 2HB GLN 7 2HB GLN 7 -2.222 0.896 -2.268 42 1HG GLN 7 2HG GLN 7 -2.564 1.660 -0.129 43 2HG GLN 7 1HG GLN 7 -0.945 1.339 0.406 44 1HE2 GLN 7 2HE2 GLN 7 -1.389 5.034 0.176 45 2HE2 GLN 7 1HE2 GLN 7 -2.356 3.786 0.975 46 H CYS 8 H CYS 8 -0.026 -1.950 0.619 47 HA CYS 8 HA CYS 8 -2.463 -3.310 1.254 48 1HB CYS 8 1HB CYS 8 -1.400 -3.886 3.394 49 2HB CYS 8 2HB CYS 8 -0.330 -4.157 2.016 50 H GLY 9 H GLY 9 -1.124 -0.399 2.762 51 1HA GLY 9 1HA GLY 9 -2.730 1.360 3.531 52 2HA GLY 9 2HA GLY 9 -3.623 0.080 4.371 53 H GLY 10 H GLY 10 -1.543 2.505 4.976 54 1HA GLY 10 1HA GLY 10 0.247 1.085 6.944 55 2HA GLY 10 2HA GLY 10 0.541 2.657 6.233 56 H ILE 11 H ILE 11 -0.618 4.496 7.052 57 HA ILE 11 HA ILE 11 -2.140 4.169 9.613 58 HB ILE 11 HB ILE 11 -0.037 6.270 8.974 59 1HG1 ILE 11 2HG1 ILE 11 -0.086 4.045 11.079 60 2HG1 ILE 11 1HG1 ILE 11 0.908 4.053 9.617 61 1HG2 ILE 11 2HG2 ILE 11 -1.944 7.242 10.233 62 2HG2 ILE 11 3HG2 ILE 11 -1.810 5.947 11.438 63 3HG2 ILE 11 1HG2 ILE 11 -0.522 7.152 11.247 64 1HD1 ILE 11 2HD1 ILE 11 2.104 6.067 10.417 65 2HD1 ILE 11 3HD1 ILE 11 1.213 5.965 11.957 66 3HD1 ILE 11 1HD1 ILE 11 2.291 4.655 11.467 67 H GLY 12 H GLY 12 -4.105 5.172 9.601 68 1HA GLY 12 2HA GLY 12 -5.838 6.588 8.989 69 2HA GLY 12 1HA GLY 12 -4.744 7.517 7.973 70 H TYR 13 H TYR 13 -3.912 5.912 6.038 71 HA TYR 13 HA TYR 13 -6.272 5.263 4.428 72 1HB TYR 13 1HB TYR 13 -3.811 6.236 3.813 73 2HB TYR 13 2HB TYR 13 -3.526 4.568 3.429 74 HD1 TYR 13 HD2 TYR 13 -5.964 3.562 2.147 75 HD2 TYR 13 HD1 TYR 13 -4.139 7.484 1.895 76 HE1 TYR 13 HE2 TYR 13 -7.127 3.982 -0.003 77 HE2 TYR 13 HE1 TYR 13 -5.256 7.847 -0.295 78 HH TYR 13 HH TYR 13 -7.546 5.498 -1.646 79 H SER 14 H SER 14 -7.261 3.508 5.533 80 HA SER 14 HA SER 14 -5.856 0.909 5.795 81 1HB SER 14 1HB SER 14 -8.692 1.780 6.464 82 2HB SER 14 2HB SER 14 -8.026 0.177 6.781 83 HG SER 14 HG SER 14 -6.376 1.240 8.060 84 H GLY 15 H GLY 15 -5.430 0.651 3.449 85 1HA GLY 15 1HA GLY 15 -6.456 -1.416 2.224 86 2HA GLY 15 2HA GLY 15 -7.753 -0.285 1.820 87 HA PRO 16 HA PRO 16 -4.494 -0.098 -1.513 88 1HB PRO 16 1HB PRO 16 -5.810 -1.259 -3.602 89 2HB PRO 16 2HB PRO 16 -5.052 -2.215 -2.300 90 1HG PRO 16 1HG PRO 16 -7.955 -1.332 -2.478 91 2HG PRO 16 2HG PRO 16 -7.349 -3.000 -2.253 92 1HD PRO 16 2HD PRO 16 -8.093 -1.491 -0.121 93 2HD PRO 16 1HD PRO 16 -6.644 -2.539 -0.023 94 H THR 17 H THR 17 -4.492 0.878 -3.575 95 HA THR 17 HA THR 17 -6.290 2.879 -4.494 96 HB THR 17 HB THR 17 -6.132 3.937 -2.398 97 HG1 THR 17 HG1 THR 17 -5.451 5.904 -3.044 98 1HG2 THR 17 2HG2 THR 17 -3.933 2.955 -1.584 99 2HG2 THR 17 3HG2 THR 17 -3.098 4.191 -2.554 100 3HG2 THR 17 1HG2 THR 17 -4.156 4.666 -1.249 101 H VAL 18 H VAL 18 -2.789 2.714 -3.775 102 HA VAL 18 HA VAL 18 -2.089 3.247 -6.612 103 HB VAL 18 HB VAL 18 -0.413 3.195 -4.079 104 1HG1 VAL 18 3HG1 VAL 18 0.392 3.883 -6.940 105 2HG1 VAL 18 1HG1 VAL 18 1.371 4.215 -5.501 106 3HG1 VAL 18 2HG1 VAL 18 1.025 2.546 -5.953 107 1HG2 VAL 18 3HG2 VAL 18 -1.920 5.171 -4.223 108 2HG2 VAL 18 1HG2 VAL 18 -0.237 5.641 -4.453 109 3HG2 VAL 18 2HG2 VAL 18 -1.321 5.514 -5.850 110 H CYS 19 H CYS 19 -0.953 1.869 -7.853 111 HA CYS 19 HA CYS 19 0.268 0.129 -8.606 112 1HB CYS 19 2HB CYS 19 1.129 0.040 -6.146 113 2HB CYS 19 1HB CYS 19 0.090 -1.369 -5.993 114 H ALA 20 H ALA 20 0.121 -2.348 -8.975 115 HA ALA 20 HA ALA 20 -2.684 -3.377 -9.068 116 1HB ALA 20 2HB ALA 20 -1.406 -3.491 -11.176 117 2HB ALA 20 3HB ALA 20 -0.136 -4.431 -10.368 118 3HB ALA 20 1HB ALA 20 -1.765 -5.110 -10.558 119 H SER 21 H SER 21 -2.149 -6.135 -8.717 120 HA SER 21 HA SER 21 -2.067 -6.297 -5.835 121 1HB SER 21 1HB SER 21 -2.257 -8.764 -6.294 122 2HB SER 21 2HB SER 21 -3.502 -7.764 -7.051 123 HG SER 21 HG SER 21 -1.123 -8.620 -8.358 124 H GLY 22 H GLY 22 -0.254 -6.240 -4.639 125 1HA GLY 22 1HA GLY 22 2.226 -7.748 -5.466 126 2HA GLY 22 2HA GLY 22 2.268 -6.168 -4.698 127 H THR 23 H THR 23 0.471 -6.396 -2.639 128 HA THR 23 HA THR 23 0.171 -7.065 -0.516 129 HB THR 23 HB THR 23 0.998 -9.884 -1.260 130 HG1 THR 23 HG1 THR 23 -0.731 -10.077 -2.441 131 1HG2 THR 23 3HG2 THR 23 -1.233 -8.777 0.529 132 2HG2 THR 23 1HG2 THR 23 -0.961 -10.491 0.165 133 3HG2 THR 23 2HG2 THR 23 0.227 -9.597 1.106 134 H THR 24 H THR 24 2.926 -6.203 -1.280 135 HA THR 24 HA THR 24 4.562 -7.330 0.947 136 HB THR 24 HB THR 24 6.417 -6.087 -0.219 137 HG1 THR 24 HG1 THR 24 5.994 -5.671 -2.420 138 1HG2 THR 24 2HG2 THR 24 6.015 -8.552 -0.524 139 2HG2 THR 24 3HG2 THR 24 4.958 -8.181 -1.898 140 3HG2 THR 24 1HG2 THR 24 6.676 -7.784 -1.971 141 H CYS 25 H CYS 25 3.369 -6.307 2.585 142 HA CYS 25 HA CYS 25 2.835 -3.529 2.640 143 1HB CYS 25 1HB CYS 25 1.657 -5.521 3.821 144 2HB CYS 25 2HB CYS 25 2.851 -5.298 5.104 145 H GLN 26 H GLN 26 5.071 -2.914 2.057 146 HA GLN 26 HA GLN 26 6.688 -2.019 4.409 147 1HB GLN 26 1HB GLN 26 8.014 -3.633 3.353 148 2HB GLN 26 2HB GLN 26 7.534 -3.165 1.755 149 1HG GLN 26 2HG GLN 26 9.853 -2.536 2.146 150 2HG GLN 26 1HG GLN 26 8.902 -1.084 1.899 151 1HE2 GLN 26 1HE2 GLN 26 10.519 0.120 4.831 152 2HE2 GLN 26 2HE2 GLN 26 10.166 0.429 3.123 153 H VAL 27 H VAL 27 7.789 -0.007 4.111 154 HA VAL 27 HA VAL 27 6.003 2.029 2.914 155 HB VAL 27 HB VAL 27 5.901 1.872 5.267 156 1HG1 VAL 27 1HG2 VAL 27 8.947 2.069 5.309 157 2HG1 VAL 27 2HG2 VAL 27 7.920 2.273 6.741 158 3HG1 VAL 27 3HG2 VAL 27 7.948 0.725 5.906 159 1HG2 VAL 27 3HG1 VAL 27 6.049 4.212 4.237 160 2HG2 VAL 27 1HG1 VAL 27 6.362 4.060 5.978 161 3HG2 VAL 27 2HG1 VAL 27 7.719 4.261 4.850 162 H LEU 28 H LEU 28 6.646 3.962 2.168 163 HA LEU 28 HA LEU 28 9.480 4.498 1.319 164 1HB LEU 28 1HB LEU 28 6.779 5.737 0.624 165 2HB LEU 28 2HB LEU 28 8.294 6.578 0.330 166 HG LEU 28 HG LEU 28 9.081 4.875 -1.182 167 1HD1 LEU 28 1HD2 LEU 28 6.509 3.374 -0.545 168 2HD1 LEU 28 2HD2 LEU 28 7.546 3.027 -1.936 169 3HD1 LEU 28 3HD2 LEU 28 8.178 2.810 -0.310 170 1HD2 LEU 28 1HD1 LEU 28 6.210 5.721 -1.783 171 2HD2 LEU 28 2HD1 LEU 28 7.669 6.677 -2.094 172 3HD2 LEU 28 3HD1 LEU 28 7.390 5.173 -2.982 173 H ASN 29 H ASN 29 6.937 6.703 2.544 174 HA ASN 29 HA ASN 29 8.627 7.490 4.874 175 1HB ASN 29 1HB ASN 29 7.406 9.602 4.844 176 2HB ASN 29 2HB ASN 29 8.242 9.307 3.322 177 1HD2 ASN 29 1HD2 ASN 29 4.482 10.233 2.954 178 2HD2 ASN 29 2HD2 ASN 29 5.540 10.793 4.251 179 HA PRO 30 HA PRO 30 6.211 5.394 7.898 180 1HB PRO 30 2HB PRO 30 5.879 8.219 8.973 181 2HB PRO 30 1HB PRO 30 6.007 6.700 9.911 182 1HG PRO 30 2HG PRO 30 8.255 8.110 9.415 183 2HG PRO 30 1HG PRO 30 8.263 6.343 9.171 184 1HD PRO 30 1HD PRO 30 8.177 8.510 7.095 185 2HD PRO 30 2HD PRO 30 8.904 6.879 7.018 186 H TYR 31 H TYR 31 4.327 8.358 6.957 187 HA TYR 31 HA TYR 31 1.838 7.057 7.754 188 1HB TYR 31 2HB TYR 31 2.490 9.762 6.563 189 2HB TYR 31 1HB TYR 31 0.840 9.208 6.795 190 HD1 TYR 31 HD2 TYR 31 3.050 8.032 9.492 191 HD2 TYR 31 HD1 TYR 31 0.580 11.317 8.115 192 HE1 TYR 31 HE2 TYR 31 2.749 8.793 11.818 193 HE2 TYR 31 HE1 TYR 31 0.308 12.065 10.472 194 HH TYR 31 HH TYR 31 0.803 11.652 12.642 195 H TYR 32 H TYR 32 3.268 5.711 5.502 196 HA TYR 32 HA TYR 32 0.830 4.624 4.680 197 1HB TYR 32 2HB TYR 32 0.614 4.892 2.404 198 2HB TYR 32 1HB TYR 32 0.821 6.490 3.024 199 HD1 TYR 32 HD2 TYR 32 3.125 3.755 1.437 200 HD2 TYR 32 HD1 TYR 32 2.326 7.959 1.672 201 HE1 TYR 32 HE2 TYR 32 2.549 3.762 -0.977 202 HE2 TYR 32 HE1 TYR 32 2.017 8.005 -0.819 203 HH TYR 32 HH TYR 32 1.081 4.965 -2.337 204 H SER 33 H SER 33 1.125 2.781 2.981 205 HA SER 33 HA SER 33 3.824 1.574 2.972 206 1HB SER 33 1HB SER 33 2.831 0.624 4.998 207 2HB SER 33 2HB SER 33 1.408 0.108 4.092 208 HG SER 33 HG SER 33 3.237 -1.028 2.730 209 H GLN 34 H GLN 34 4.270 0.674 1.017 210 HA GLN 34 HA GLN 34 2.140 0.971 -1.045 211 1HB GLN 34 1HB GLN 34 4.268 2.396 -0.985 212 2HB GLN 34 2HB GLN 34 5.146 0.982 -1.482 213 1HG GLN 34 1HG GLN 34 3.396 0.875 -3.497 214 2HG GLN 34 2HG GLN 34 2.899 2.453 -2.953 215 1HE2 GLN 34 2HE2 GLN 34 6.476 2.029 -4.878 216 2HE2 GLN 34 1HE2 GLN 34 5.751 0.558 -4.252 217 H CYS 35 H CYS 35 4.633 -0.550 -2.450 218 HA CYS 35 HA CYS 35 3.621 -3.270 -2.770 219 1HB CYS 35 1HB CYS 35 1.850 -1.774 -3.753 220 2HB CYS 35 2HB CYS 35 3.067 -1.002 -4.750 221 H LEU 36 H LEU 36 5.719 -4.042 -2.851 222 HA LEU 36 HA LEU 36 7.809 -2.814 -4.573 223 1HB LEU 36 1HB LEU 36 8.351 -3.436 -1.645 224 2HB LEU 36 2HB LEU 36 9.308 -2.523 -2.801 225 HG LEU 36 HG LEU 36 7.148 -0.885 -2.736 226 1HD1 LEU 36 3HD1 LEU 36 5.968 -2.480 -1.046 227 2HD1 LEU 36 1HD1 LEU 36 7.259 -2.044 0.061 228 3HD1 LEU 36 2HD1 LEU 36 6.149 -0.806 -0.488 229 1HD2 LEU 36 2HD2 LEU 36 9.339 -0.917 -0.629 230 2HD2 LEU 36 3HD2 LEU 36 9.379 -0.119 -2.217 231 3HD2 LEU 36 1HD2 LEU 36 8.247 0.438 -0.975 No H/Q in entry = 231 Start of MODEL 14 1 1H THR 1 3H THR 1 -6.494 -7.593 -6.131 2 2H THR 1 1H THR 1 -4.887 -7.919 -6.115 3 3H THR 1 2H THR 1 -5.651 -7.496 -4.707 4 HA THR 1 HA THR 1 -4.397 -5.671 -5.408 5 HB THR 1 HB THR 1 -5.526 -5.827 -8.217 6 HG1 THR 1 HG1 THR 1 -3.598 -6.991 -8.666 7 1HG2 THR 1 2HG2 THR 1 -4.222 -3.743 -7.510 8 2HG2 THR 1 3HG2 THR 1 -2.829 -4.788 -7.191 9 3HG2 THR 1 1HG2 THR 1 -3.484 -4.648 -8.829 10 H GLN 2 H GLN 2 -6.184 -5.108 -3.790 11 HA GLN 2 HA GLN 2 -8.022 -3.003 -4.621 12 1HB GLN 2 1HB GLN 2 -9.014 -5.828 -4.024 13 2HB GLN 2 2HB GLN 2 -10.012 -4.428 -3.704 14 1HG GLN 2 1HG GLN 2 -9.108 -5.365 -6.450 15 2HG GLN 2 2HG GLN 2 -10.710 -5.385 -5.745 16 1HE2 GLN 2 2HE2 GLN 2 -9.457 -1.972 -7.503 17 2HE2 GLN 2 1HE2 GLN 2 -8.312 -3.305 -7.291 18 H SER 3 H SER 3 -6.664 -1.949 -2.916 19 HA SER 3 HA SER 3 -5.830 -1.552 -0.832 20 1HB SER 3 1HB SER 3 -8.394 -1.090 -0.561 21 2HB SER 3 2HB SER 3 -8.411 -2.552 0.418 22 HG SER 3 HG SER 3 -6.468 -1.376 1.499 23 H HIS 4 H HIS 4 -4.746 -3.718 -1.714 24 HA HIS 4 HA HIS 4 -4.137 -5.385 0.552 25 1HB HIS 4 1HB HIS 4 -6.295 -6.438 -0.197 26 2HB HIS 4 2HB HIS 4 -5.567 -6.794 -1.756 27 HD2 HIS 4 HD2 HIS 4 -4.875 -7.632 2.068 28 HE1 HIS 4 HE1 HIS 4 -3.330 -10.749 -0.351 29 HE2 HIS 4 HE2 HIS 4 -3.700 -9.988 2.052 30 H ALA 5 H ALA 5 -3.424 -7.377 -2.113 31 HA ALA 5 HA ALA 5 -0.814 -6.526 -2.629 32 1HB ALA 5 2HB ALA 5 -1.798 -8.580 -3.616 33 2HB ALA 5 3HB ALA 5 -2.779 -7.586 -4.712 34 3HB ALA 5 1HB ALA 5 -1.015 -7.587 -4.855 35 H GLY 6 H GLY 6 0.271 -5.129 -3.995 36 1HA GLY 6 1HA GLY 6 0.662 -3.018 -4.897 37 2HA GLY 6 2HA GLY 6 -1.072 -2.745 -5.119 38 H GLN 7 H GLN 7 -0.906 -0.685 -4.028 39 HA GLN 7 HA GLN 7 0.024 -0.324 -1.320 40 1HB GLN 7 1HB GLN 7 -0.014 1.511 -2.754 41 2HB GLN 7 2HB GLN 7 -1.723 1.309 -3.147 42 1HG GLN 7 1HG GLN 7 -2.382 2.026 -0.896 43 2HG GLN 7 2HG GLN 7 -0.705 2.021 -0.362 44 1HE2 GLN 7 2HE2 GLN 7 -1.368 5.526 -0.979 45 2HE2 GLN 7 1HE2 GLN 7 -1.648 4.313 0.276 46 H CYS 8 H CYS 8 -0.800 -2.210 -0.388 47 HA CYS 8 HA CYS 8 -3.224 -3.042 0.447 48 1HB CYS 8 2HB CYS 8 -2.079 -3.517 2.689 49 2HB CYS 8 1HB CYS 8 -1.281 -4.122 1.241 50 H GLY 9 H GLY 9 -1.656 -0.356 2.106 51 1HA GLY 9 1HA GLY 9 -3.103 1.520 2.933 52 2HA GLY 9 2HA GLY 9 -4.172 0.297 3.630 53 H GLY 10 H GLY 10 -1.953 2.416 4.569 54 1HA GLY 10 1HA GLY 10 -0.312 0.662 6.398 55 2HA GLY 10 2HA GLY 10 0.083 2.290 5.879 56 H ILE 11 H ILE 11 0.017 3.616 7.614 57 HA ILE 11 HA ILE 11 -1.904 3.134 9.858 58 HB ILE 11 HB ILE 11 0.610 4.810 9.764 59 1HG1 ILE 11 2HG1 ILE 11 0.103 2.086 11.052 60 2HG1 ILE 11 1HG1 ILE 11 1.003 2.329 9.552 61 1HG2 ILE 11 2HG2 ILE 11 -1.105 5.629 11.390 62 2HG2 ILE 11 3HG2 ILE 11 -1.161 4.009 12.111 63 3HG2 ILE 11 1HG2 ILE 11 0.318 4.988 12.197 64 1HD1 ILE 11 2HD1 ILE 11 2.650 3.747 10.749 65 2HD1 ILE 11 3HD1 ILE 11 1.851 3.326 12.283 66 3HD1 ILE 11 1HD1 ILE 11 2.595 2.062 11.294 67 H GLY 12 H GLY 12 -3.818 4.055 9.248 68 1HA GLY 12 2HA GLY 12 -5.368 5.778 9.112 69 2HA GLY 12 1HA GLY 12 -4.076 6.963 9.251 70 H TYR 13 H TYR 13 -4.129 4.549 6.687 71 HA TYR 13 HA TYR 13 -5.291 6.358 4.642 72 1HB TYR 13 1HB TYR 13 -2.893 6.951 4.914 73 2HB TYR 13 2HB TYR 13 -2.435 5.322 4.455 74 HD1 TYR 13 HD1 TYR 13 -5.103 5.961 2.215 75 HD2 TYR 13 HD2 TYR 13 -1.145 7.440 3.144 76 HE1 TYR 13 HE1 TYR 13 -4.766 6.589 -0.148 77 HE2 TYR 13 HE2 TYR 13 -0.785 7.932 0.719 78 HH TYR 13 HH TYR 13 -3.150 6.942 -1.736 79 H SER 14 H SER 14 -6.852 5.004 3.948 80 HA SER 14 HA SER 14 -6.333 2.086 3.469 81 1HB SER 14 1HB SER 14 -8.753 3.435 4.760 82 2HB SER 14 2HB SER 14 -8.529 1.691 4.519 83 HG SER 14 HG SER 14 -7.928 2.362 6.654 84 H GLY 15 H GLY 15 -7.572 1.001 1.801 85 1HA GLY 15 1HA GLY 15 -9.607 0.819 0.592 86 2HA GLY 15 2HA GLY 15 -9.739 2.563 0.472 87 HA PRO 16 HA PRO 16 -8.386 0.642 -3.521 88 1HB PRO 16 2HB PRO 16 -10.065 1.845 -5.288 89 2HB PRO 16 1HB PRO 16 -10.626 0.644 -4.102 90 1HG PRO 16 1HG PRO 16 -10.670 3.668 -3.771 91 2HG PRO 16 2HG PRO 16 -12.060 2.559 -3.616 92 1HD PRO 16 1HD PRO 16 -10.691 3.330 -1.432 93 2HD PRO 16 2HD PRO 16 -11.235 1.634 -1.589 94 H THR 17 H THR 17 -6.876 2.775 -2.253 95 HA THR 17 HA THR 17 -5.914 4.639 -4.358 96 HB THR 17 HB THR 17 -5.967 5.452 -2.078 97 HG1 THR 17 HG1 THR 17 -3.317 4.806 -2.827 98 1HG2 THR 17 3HG2 THR 17 -4.600 2.844 -1.369 99 2HG2 THR 17 1HG2 THR 17 -4.264 4.273 -0.394 100 3HG2 THR 17 2HG2 THR 17 -5.920 3.686 -0.551 101 H VAL 18 H VAL 18 -5.805 2.161 -5.428 102 HA VAL 18 HA VAL 18 -3.488 0.709 -4.312 103 HB VAL 18 HB VAL 18 -5.723 -0.130 -4.027 104 1HG1 VAL 18 3HG2 VAL 18 -6.676 0.371 -6.323 105 2HG1 VAL 18 1HG2 VAL 18 -5.707 -0.982 -6.947 106 3HG1 VAL 18 2HG2 VAL 18 -6.953 -1.271 -5.728 107 1HG2 VAL 18 2HG1 VAL 18 -3.760 -1.583 -3.808 108 2HG2 VAL 18 3HG1 VAL 18 -5.142 -2.473 -4.458 109 3HG2 VAL 18 1HG1 VAL 18 -3.835 -1.967 -5.540 110 H CYS 19 H CYS 19 -1.635 0.791 -5.356 111 HA CYS 19 HA CYS 19 -0.963 0.930 -8.054 112 1HB CYS 19 2HB CYS 19 0.552 1.011 -6.070 113 2HB CYS 19 1HB CYS 19 0.315 -0.719 -5.834 114 H ALA 20 H ALA 20 0.089 -0.881 -9.371 115 HA ALA 20 HA ALA 20 -1.552 -3.052 -10.139 116 1HB ALA 20 2HB ALA 20 0.286 -2.052 -11.491 117 2HB ALA 20 3HB ALA 20 1.475 -2.726 -10.357 118 3HB ALA 20 1HB ALA 20 0.470 -3.807 -11.342 119 H SER 21 H SER 21 -0.419 -5.405 -10.140 120 HA SER 21 HA SER 21 -0.816 -6.309 -7.393 121 1HB SER 21 1HB SER 21 -1.577 -7.520 -9.567 122 2HB SER 21 2HB SER 21 0.080 -8.128 -9.640 123 HG SER 21 HG SER 21 -1.857 -8.492 -7.569 124 H GLY 22 H GLY 22 0.655 -8.293 -6.774 125 1HA GLY 22 1HA GLY 22 3.356 -8.526 -6.825 126 2HA GLY 22 2HA GLY 22 3.210 -7.038 -5.882 127 H THR 23 H THR 23 1.501 -7.218 -4.112 128 HA THR 23 HA THR 23 0.491 -8.205 -2.270 129 HB THR 23 HB THR 23 1.862 -10.873 -2.584 130 HG1 THR 23 HG1 THR 23 0.955 -10.401 -4.546 131 1HG2 THR 23 3HG2 THR 23 -0.885 -10.005 -1.533 132 2HG2 THR 23 1HG2 THR 23 -0.259 -11.665 -1.587 133 3HG2 THR 23 2HG2 THR 23 0.497 -10.476 -0.527 134 H THR 24 H THR 24 2.779 -6.670 -2.313 135 HA THR 24 HA THR 24 4.507 -7.572 -0.070 136 HB THR 24 HB THR 24 6.165 -6.081 -1.357 137 HG1 THR 24 HG1 THR 24 5.638 -5.799 -3.529 138 1HG2 THR 24 2HG2 THR 24 6.192 -8.593 -1.443 139 2HG2 THR 24 3HG2 THR 24 5.112 -8.525 -2.854 140 3HG2 THR 24 1HG2 THR 24 6.735 -7.820 -2.936 141 H CYS 25 H CYS 25 2.867 -6.548 1.359 142 HA CYS 25 HA CYS 25 2.535 -3.692 1.444 143 1HB CYS 25 1HB CYS 25 1.014 -5.508 2.377 144 2HB CYS 25 2HB CYS 25 2.140 -5.643 3.732 145 H GLN 26 H GLN 26 4.893 -3.281 1.105 146 HA GLN 26 HA GLN 26 6.412 -2.947 3.662 147 1HB GLN 26 1HB GLN 26 7.394 -4.508 2.070 148 2HB GLN 26 2HB GLN 26 7.372 -3.307 0.793 149 1HG GLN 26 2HG GLN 26 9.638 -3.599 1.738 150 2HG GLN 26 1HG GLN 26 9.075 -1.951 1.922 151 1HE2 GLN 26 1HE2 GLN 26 8.997 -4.007 5.465 152 2HE2 GLN 26 2HE2 GLN 26 8.066 -4.663 4.111 153 H VAL 27 H VAL 27 7.781 -1.041 3.904 154 HA VAL 27 HA VAL 27 5.962 1.208 3.621 155 HB VAL 27 HB VAL 27 6.854 0.332 5.770 156 1HG1 VAL 27 3HG2 VAL 27 9.241 -0.020 5.114 157 2HG1 VAL 27 1HG2 VAL 27 9.460 1.732 4.983 158 3HG1 VAL 27 2HG2 VAL 27 9.081 1.002 6.547 159 1HG2 VAL 27 2HG1 VAL 27 5.871 2.611 5.561 160 2HG2 VAL 27 3HG1 VAL 27 7.100 2.460 6.841 161 3HG2 VAL 27 1HG1 VAL 27 7.517 3.246 5.318 162 H LEU 28 H LEU 28 6.315 3.271 2.845 163 HA LEU 28 HA LEU 28 9.078 4.072 1.927 164 1HB LEU 28 1HB LEU 28 6.344 5.346 1.456 165 2HB LEU 28 2HB LEU 28 7.861 6.228 1.310 166 HG LEU 28 HG LEU 28 8.643 4.452 -0.348 167 1HD1 LEU 28 3HD1 LEU 28 5.661 3.841 -0.332 168 2HD1 LEU 28 1HD1 LEU 28 6.793 3.316 -1.596 169 3HD1 LEU 28 2HD1 LEU 28 6.962 2.693 0.043 170 1HD2 LEU 28 3HD2 LEU 28 6.287 6.250 -1.066 171 2HD2 LEU 28 1HD2 LEU 28 7.993 6.732 -1.009 172 3HD2 LEU 28 2HD2 LEU 28 7.448 5.560 -2.214 173 H ASN 29 H ASN 29 6.634 6.156 3.401 174 HA ASN 29 HA ASN 29 8.139 6.300 5.971 175 1HB ASN 29 1HB ASN 29 6.743 8.212 6.505 176 2HB ASN 29 2HB ASN 29 7.632 8.477 5.006 177 1HD2 ASN 29 1HD2 ASN 29 3.878 9.283 4.726 178 2HD2 ASN 29 2HD2 ASN 29 4.941 9.617 6.095 179 HA PRO 30 HA PRO 30 5.432 3.455 8.186 180 1HB PRO 30 2HB PRO 30 5.113 5.964 9.882 181 2HB PRO 30 1HB PRO 30 5.164 4.265 10.436 182 1HG PRO 30 1HG PRO 30 7.445 5.709 10.463 183 2HG PRO 30 2HG PRO 30 7.473 4.052 9.796 184 1HD PRO 30 1HD PRO 30 7.488 6.669 8.314 185 2HD PRO 30 2HD PRO 30 8.296 5.126 7.913 186 H TYR 31 H TYR 31 4.003 6.709 7.675 187 HA TYR 31 HA TYR 31 1.303 5.875 8.032 188 1HB TYR 31 1HB TYR 31 2.457 8.383 6.808 189 2HB TYR 31 2HB TYR 31 0.746 8.107 7.095 190 HD1 TYR 31 HD1 TYR 31 -0.213 8.014 9.355 191 HD2 TYR 31 HD2 TYR 31 4.013 8.698 8.786 192 HE1 TYR 31 HE1 TYR 31 0.099 8.160 11.818 193 HE2 TYR 31 HE2 TYR 31 4.280 8.991 11.246 194 HH TYR 31 HH TYR 31 3.274 8.870 13.268 195 H TYR 32 H TYR 32 3.222 5.537 5.081 196 HA TYR 32 HA TYR 32 0.926 4.072 4.067 197 1HB TYR 32 2HB TYR 32 0.048 5.329 2.608 198 2HB TYR 32 1HB TYR 32 1.009 6.662 3.198 199 HD1 TYR 32 HD1 TYR 32 1.149 3.756 0.805 200 HD2 TYR 32 HD2 TYR 32 1.973 7.939 1.465 201 HE1 TYR 32 HE1 TYR 32 1.592 4.054 -1.622 202 HE2 TYR 32 HE2 TYR 32 2.366 8.230 -0.972 203 HH TYR 32 HH TYR 32 2.583 7.194 -2.967 204 H SER 33 H SER 33 1.595 2.194 3.852 205 HA SER 33 HA SER 33 4.070 1.361 2.501 206 1HB SER 33 1HB SER 33 3.387 -0.029 4.334 207 2HB SER 33 2HB SER 33 1.709 -0.093 3.768 208 HG SER 33 HG SER 33 3.872 -1.144 2.250 209 H GLN 34 H GLN 34 4.197 0.311 0.513 210 HA GLN 34 HA GLN 34 2.023 1.179 -1.387 211 1HB GLN 34 1HB GLN 34 3.681 2.835 -0.922 212 2HB GLN 34 2HB GLN 34 4.977 1.771 -1.424 213 1HG GLN 34 1HG GLN 34 2.797 2.383 -3.461 214 2HG GLN 34 2HG GLN 34 3.818 3.720 -2.951 215 1HE2 GLN 34 1HE2 GLN 34 4.110 3.443 -5.491 216 2HE2 GLN 34 2HE2 GLN 34 5.568 2.499 -5.844 217 H CYS 35 H CYS 35 5.060 -0.071 -2.726 218 HA CYS 35 HA CYS 35 3.664 -2.497 -3.758 219 1HB CYS 35 1HB CYS 35 2.740 -0.285 -4.757 220 2HB CYS 35 2HB CYS 35 4.291 -0.118 -5.559 221 H LEU 36 H LEU 36 5.719 -3.258 -2.657 222 HA LEU 36 HA LEU 36 8.075 -3.161 -4.479 223 1HB LEU 36 1HB LEU 36 8.638 -2.983 -1.532 224 2HB LEU 36 2HB LEU 36 9.553 -2.452 -2.928 225 HG LEU 36 HG LEU 36 7.600 -0.631 -3.134 226 1HD1 LEU 36 3HD1 LEU 36 6.300 -1.763 -1.156 227 2HD1 LEU 36 1HD1 LEU 36 7.609 -1.171 -0.128 228 3HD1 LEU 36 2HD1 LEU 36 6.593 -0.019 -1.006 229 1HD2 LEU 36 3HD2 LEU 36 9.773 -0.490 -1.001 230 2HD2 LEU 36 1HD2 LEU 36 9.933 -0.046 -2.715 231 3HD2 LEU 36 2HD2 LEU 36 8.867 0.891 -1.655 No H/Q in entry = 231
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