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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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6234 |
1iog ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -3.304 6.172 8.681 2 2H GLY 1 2H GLY 1 -2.616 7.023 9.977 3 3H GLY 1 3H GLY 1 -2.326 7.528 8.381 4 1HA GLY 1 1HA GLY 1 -0.376 6.435 8.916 5 2HA GLY 1 2HA GLY 1 -1.244 5.184 9.806 6 H ILE 2 H ILE 2 -1.653 6.540 6.514 7 HA ILE 2 HA ILE 2 -1.349 3.750 5.484 8 HB ILE 2 HB ILE 2 -3.732 4.507 5.470 9 1HG1 ILE 2 1HG1 ILE 2 -2.608 4.384 2.660 10 2HG1 ILE 2 2HG1 ILE 2 -2.715 2.968 3.707 11 1HG2 ILE 2 1HG2 ILE 2 -2.633 6.944 4.759 12 2HG2 ILE 2 2HG2 ILE 2 -3.327 6.369 3.243 13 3HG2 ILE 2 3HG2 ILE 2 -4.346 6.534 4.673 14 1HD1 ILE 2 1HD1 ILE 2 -5.222 3.792 4.002 15 2HD1 ILE 2 2HD1 ILE 2 -4.912 4.564 2.446 16 3HD1 ILE 2 3HD1 ILE 2 -4.752 2.815 2.610 17 H GLY 3 H GLY 3 0.146 6.599 5.591 18 1HA GLY 3 1HA GLY 3 0.738 6.972 2.745 19 2HA GLY 3 2HA GLY 3 1.515 7.819 4.086 20 H GLU 4 H GLU 4 3.644 7.370 3.220 21 HA GLU 4 HA GLU 4 4.416 4.562 2.853 22 1HB GLU 4 1HB GLU 4 6.179 7.028 2.917 23 2HB GLU 4 2HB GLU 4 6.608 5.436 2.291 24 1HG GLU 4 1HG GLU 4 5.820 6.074 0.283 25 2HG GLU 4 2HG GLU 4 4.208 6.141 0.994 26 H GLN 5 H GLN 5 3.614 5.988 5.553 27 HA GLN 5 HA GLN 5 5.675 6.127 7.378 28 1HB GLN 5 1HB GLN 5 2.871 5.696 7.506 29 2HB GLN 5 2HB GLN 5 3.620 4.479 8.541 30 1HG GLN 5 1HG GLN 5 4.511 7.352 8.677 31 2HG GLN 5 2HG GLN 5 3.084 6.817 9.564 32 1HE2 GLN 5 2HE2 GLN 5 6.216 7.420 10.154 33 2HE2 GLN 5 1HE2 GLN 5 6.570 6.204 11.286 34 H CYS 6 H CYS 6 4.154 3.147 6.140 35 HA CYS 6 HA CYS 6 5.828 1.374 7.696 36 1HB CYS 6 1HB CYS 6 4.235 0.962 5.145 37 2HB CYS 6 2HB CYS 6 5.082 -0.340 5.982 38 H CYS 7 H CYS 7 7.974 2.315 7.330 39 HA CYS 7 HA CYS 7 9.094 1.554 4.664 40 1HB CYS 7 1HB CYS 7 8.860 4.073 5.096 41 2HB CYS 7 2HB CYS 7 10.115 3.868 6.318 42 H THR 8 H THR 8 9.271 1.242 8.060 43 HA THR 8 HA THR 8 12.124 0.568 8.144 44 HB THR 8 HB THR 8 11.743 0.076 10.480 45 HG1 THR 8 HG1 THR 8 8.985 0.468 10.148 46 1HG2 THR 8 1HG2 THR 8 10.068 2.423 9.547 47 2HG2 THR 8 2HG2 THR 8 10.585 2.166 11.214 48 3HG2 THR 8 3HG2 THR 8 11.784 2.450 9.954 49 H SER 9 H SER 9 9.633 -0.945 6.738 50 HA SER 9 HA SER 9 10.913 -3.485 6.577 51 1HB SER 9 1HB SER 9 9.366 -4.853 7.917 52 2HB SER 9 2HB SER 9 10.179 -3.673 8.938 53 HG SER 9 HG SER 9 7.810 -2.852 7.754 54 H ILE 10 H ILE 10 7.952 -4.654 6.656 55 HA ILE 10 HA ILE 10 7.148 -3.454 4.041 56 HB ILE 10 HB ILE 10 6.717 -6.354 4.753 57 1HG1 ILE 10 1HG1 ILE 10 9.085 -5.071 3.352 58 2HG1 ILE 10 2HG1 ILE 10 9.124 -6.006 4.846 59 1HG2 ILE 10 1HG2 ILE 10 5.536 -4.980 2.835 60 2HG2 ILE 10 2HG2 ILE 10 7.077 -5.202 2.005 61 3HG2 ILE 10 3HG2 ILE 10 6.137 -6.606 2.511 62 1HD1 ILE 10 1HD1 ILE 10 7.953 -7.838 3.295 63 2HD1 ILE 10 2HD1 ILE 10 8.798 -6.945 2.029 64 3HD1 ILE 10 3HD1 ILE 10 9.708 -7.669 3.355 65 H CYS 11 H CYS 11 6.283 -3.976 7.207 66 HA CYS 11 HA CYS 11 4.270 -3.800 8.374 67 1HB CYS 11 1HB CYS 11 4.030 -2.167 5.971 68 2HB CYS 11 2HB CYS 11 2.460 -2.745 6.547 69 H SER 12 H SER 12 2.853 -5.393 8.848 70 HA SER 12 HA SER 12 2.442 -7.663 7.233 71 1HB SER 12 1HB SER 12 0.169 -7.008 8.983 72 2HB SER 12 2HB SER 12 1.214 -8.425 8.983 73 HG SER 12 HG SER 12 2.603 -7.416 10.283 74 H LEU 13 H LEU 13 1.385 -7.820 5.321 75 HA LEU 13 HA LEU 13 -0.242 -5.765 4.211 76 1HB LEU 13 1HB LEU 13 0.247 -8.651 3.584 77 2HB LEU 13 2HB LEU 13 -1.115 -7.845 2.811 78 HG LEU 13 HG LEU 13 1.068 -7.737 1.519 79 1HD1 LEU 13 1HD1 LEU 13 -0.930 -5.793 1.966 80 2HD1 LEU 13 2HD1 LEU 13 0.600 -4.917 1.960 81 3HD1 LEU 13 3HD1 LEU 13 0.148 -5.910 0.575 82 1HD2 LEU 13 1HD2 LEU 13 2.463 -7.389 3.589 83 2HD2 LEU 13 2HD2 LEU 13 2.781 -6.215 2.312 84 3HD2 LEU 13 3HD2 LEU 13 1.794 -5.762 3.702 85 H TYR 14 H TYR 14 -1.063 -8.688 6.036 86 HA TYR 14 HA TYR 14 -3.878 -8.597 5.771 87 1HB TYR 14 1HB TYR 14 -2.681 -10.468 6.858 88 2HB TYR 14 2HB TYR 14 -2.251 -9.411 8.203 89 HD1 TYR 14 HD1 TYR 14 -5.022 -11.151 6.488 90 HD2 TYR 14 HD2 TYR 14 -3.893 -8.734 9.853 91 HE1 TYR 14 HE1 TYR 14 -7.196 -11.635 7.565 92 HE2 TYR 14 HE2 TYR 14 -6.066 -9.217 10.931 93 HH TYR 14 HH TYR 14 -8.133 -11.674 9.881 94 H GLN 15 H GLN 15 -1.691 -6.786 7.884 95 HA GLN 15 HA GLN 15 -3.665 -5.591 9.554 96 1HB GLN 15 1HB GLN 15 -0.829 -5.190 8.870 97 2HB GLN 15 2HB GLN 15 -1.662 -3.723 9.369 98 1HG GLN 15 1HG GLN 15 -2.574 -5.637 11.166 99 2HG GLN 15 2HG GLN 15 -0.871 -6.040 10.954 100 1HE2 GLN 15 2HE2 GLN 15 0.621 -3.944 11.011 101 2HE2 GLN 15 1HE2 GLN 15 0.244 -2.816 12.223 102 H LEU 16 H LEU 16 -2.435 -4.792 6.355 103 HA LEU 16 HA LEU 16 -3.795 -2.208 6.248 104 1HB LEU 16 1HB LEU 16 -2.101 -3.857 4.436 105 2HB LEU 16 2HB LEU 16 -3.203 -2.714 3.670 106 HG LEU 16 HG LEU 16 -2.205 -0.855 4.743 107 1HD1 LEU 16 1HD1 LEU 16 -1.275 -2.930 6.677 108 2HD1 LEU 16 2HD1 LEU 16 -0.243 -1.518 6.451 109 3HD1 LEU 16 3HD1 LEU 16 -1.911 -1.314 6.984 110 1HD2 LEU 16 1HD2 LEU 16 -0.408 -2.894 3.589 111 2HD2 LEU 16 2HD2 LEU 16 -0.589 -1.190 3.172 112 3HD2 LEU 16 3HD2 LEU 16 0.409 -1.661 4.548 113 H GLU 17 H GLU 17 -4.815 -5.415 5.934 114 HA GLU 17 HA GLU 17 -6.653 -5.271 3.768 115 1HB GLU 17 1HB GLU 17 -6.397 -6.971 6.203 116 2HB GLU 17 2HB GLU 17 -7.901 -7.034 5.289 117 1HG GLU 17 1HG GLU 17 -6.128 -7.168 3.252 118 2HG GLU 17 2HG GLU 17 -5.190 -7.957 4.523 119 H ASN 18 H ASN 18 -6.884 -4.081 7.054 120 HA ASN 18 HA ASN 18 -9.731 -3.774 7.139 121 1HB ASN 18 1HB ASN 18 -7.927 -3.553 9.023 122 2HB ASN 18 2HB ASN 18 -7.880 -1.863 8.521 123 1HD2 ASN 18 2HD2 ASN 18 -9.093 -0.786 10.114 124 2HD2 ASN 18 1HD2 ASN 18 -10.663 -1.229 10.583 125 H TYR 19 H TYR 19 -7.238 -1.986 5.529 126 HA TYR 19 HA TYR 19 -8.799 0.463 5.246 127 1HB TYR 19 1HB TYR 19 -6.295 -0.492 3.828 128 2HB TYR 19 2HB TYR 19 -6.984 1.123 3.673 129 HD1 TYR 19 HD1 TYR 19 -7.569 2.256 6.061 130 HD2 TYR 19 HD2 TYR 19 -4.586 -0.761 5.388 131 HE1 TYR 19 HE1 TYR 19 -6.392 2.959 8.122 132 HE2 TYR 19 HE2 TYR 19 -3.411 -0.060 7.448 133 HH TYR 19 HH TYR 19 -4.829 2.164 9.709 134 H CYS 20 H CYS 20 -8.778 -2.573 3.627 135 HA CYS 20 HA CYS 20 -9.290 -1.977 0.960 136 1HB CYS 20 1HB CYS 20 -9.415 -4.240 1.274 137 2HB CYS 20 2HB CYS 20 -10.229 -4.102 2.825 138 H ASN 21 H ASN 21 -11.427 -1.831 -0.163 139 HA ASN 21 HA ASN 21 -12.913 0.438 0.804 140 1HB ASN 21 1HB ASN 21 -12.646 -0.846 -1.633 141 2HB ASN 21 2HB ASN 21 -14.306 -1.226 -1.172 142 1HD2 ASN 21 2HD2 ASN 21 -12.566 1.025 -2.852 143 2HD2 ASN 21 1HD2 ASN 21 -13.564 2.382 -2.641 144 1H GLU 1 1H GLU 1 19.262 -1.023 -3.592 145 2H GLU 1 2H GLU 1 20.227 -0.490 -2.303 146 3H GLU 1 3H GLU 1 20.436 -2.056 -2.926 147 HA GLU 1 HA GLU 1 18.966 -2.859 -1.504 148 1HB GLU 1 1HB GLU 1 19.546 -0.236 -0.561 149 2HB GLU 1 2HB GLU 1 17.817 -0.503 -0.333 150 1HG GLU 1 1HG GLU 1 18.601 -2.847 0.585 151 2HG GLU 1 2HG GLU 1 20.134 -2.010 0.835 152 H VAL 2 H VAL 2 17.625 -3.420 -3.415 153 HA VAL 2 HA VAL 2 15.186 -1.712 -3.650 154 HB VAL 2 HB VAL 2 15.254 -3.784 -5.640 155 1HG1 VAL 2 1HG1 VAL 2 15.058 -0.850 -5.409 156 2HG1 VAL 2 2HG1 VAL 2 15.716 -1.421 -6.942 157 3HG1 VAL 2 3HG1 VAL 2 14.126 -1.965 -6.407 158 1HG2 VAL 2 1HG2 VAL 2 17.763 -2.080 -5.460 159 2HG2 VAL 2 2HG2 VAL 2 17.690 -3.836 -5.318 160 3HG2 VAL 2 3HG2 VAL 2 17.306 -3.060 -6.854 161 H ASN 3 H ASN 3 14.459 -2.735 -1.593 162 HA ASN 3 HA ASN 3 13.614 -5.573 -1.883 163 1HB ASN 3 1HB ASN 3 13.159 -3.914 0.584 164 2HB ASN 3 2HB ASN 3 13.438 -5.651 0.450 165 1HD2 ASN 3 2HD2 ASN 3 15.599 -6.389 0.579 166 2HD2 ASN 3 1HD2 ASN 3 16.944 -5.359 0.692 167 H GLN 4 H GLN 4 11.324 -5.840 -0.630 168 HA GLN 4 HA GLN 4 9.437 -4.254 -2.240 169 1HB GLN 4 1HB GLN 4 9.193 -6.747 -1.878 170 2HB GLN 4 2HB GLN 4 8.818 -6.399 -0.189 171 1HG GLN 4 1HG GLN 4 6.674 -6.393 -1.038 172 2HG GLN 4 2HG GLN 4 7.087 -4.702 -1.324 173 1HE2 GLN 4 2HE2 GLN 4 5.830 -7.401 -2.865 174 2HE2 GLN 4 1HE2 GLN 4 6.199 -6.989 -4.470 175 H HIS 5 H HIS 5 10.780 -2.642 -0.401 176 HA HIS 5 HA HIS 5 9.305 -2.356 2.069 177 1HB HIS 5 1HB HIS 5 11.430 -0.852 0.632 178 2HB HIS 5 2HB HIS 5 10.453 0.064 1.781 179 HD1 HIS 5 HD1 HIS 5 12.336 0.230 3.548 180 HD2 HIS 5 HD2 HIS 5 11.349 -3.691 2.537 181 HE1 HIS 5 HE1 HIS 5 13.455 -1.255 5.267 182 H LEU 6 H LEU 6 8.663 0.297 2.273 183 HA LEU 6 HA LEU 6 6.787 0.903 0.048 184 1HB LEU 6 1HB LEU 6 5.801 1.095 2.883 185 2HB LEU 6 2HB LEU 6 4.874 0.923 1.392 186 HG LEU 6 HG LEU 6 6.026 -1.381 1.179 187 1HD1 LEU 6 1HD1 LEU 6 7.284 -0.442 3.519 188 2HD1 LEU 6 2HD1 LEU 6 6.166 -1.696 4.052 189 3HD1 LEU 6 3HD1 LEU 6 7.388 -2.063 2.836 190 1HD2 LEU 6 1HD2 LEU 6 3.908 -0.643 3.193 191 2HD2 LEU 6 2HD2 LEU 6 3.707 -1.386 1.607 192 3HD2 LEU 6 3HD2 LEU 6 4.367 -2.327 2.943 193 H CYS 7 H CYS 7 8.779 2.439 -0.024 194 HA CYS 7 HA CYS 7 8.207 4.808 1.709 195 1HB CYS 7 1HB CYS 7 10.643 3.370 1.297 196 2HB CYS 7 2HB CYS 7 10.823 4.973 0.584 197 H GLY 8 H GLY 8 7.723 6.683 0.632 198 1HA GLY 8 1HA GLY 8 7.967 8.250 -1.204 199 2HA GLY 8 2HA GLY 8 8.472 6.912 -2.238 200 H SER 9 H SER 9 6.817 5.412 -2.976 201 HA SER 9 HA SER 9 4.002 6.073 -2.472 202 1HB SER 9 1HB SER 9 4.450 6.055 -5.353 203 2HB SER 9 2HB SER 9 3.546 7.206 -4.372 204 HG SER 9 HG SER 9 6.340 7.120 -4.862 205 H GLU 10 H GLU 10 6.067 3.797 -2.451 206 HA GLU 10 HA GLU 10 4.886 1.912 -4.389 207 1HB GLU 10 1HB GLU 10 7.216 1.868 -2.500 208 2HB GLU 10 2HB GLU 10 6.546 0.337 -3.066 209 1HG GLU 10 1HG GLU 10 7.333 2.588 -4.931 210 2HG GLU 10 2HG GLU 10 8.421 1.269 -4.497 211 H LEU 11 H LEU 11 3.990 3.048 -1.406 212 HA LEU 11 HA LEU 11 3.317 0.599 -0.040 213 1HB LEU 11 1HB LEU 11 3.413 2.667 1.223 214 2HB LEU 11 2HB LEU 11 2.172 3.395 0.201 215 HG LEU 11 HG LEU 11 0.610 1.548 0.921 216 1HD1 LEU 11 1HD1 LEU 11 2.929 0.388 1.864 217 2HD1 LEU 11 2HD1 LEU 11 2.176 0.990 3.340 218 3HD1 LEU 11 3HD1 LEU 11 1.296 -0.120 2.288 219 1HD2 LEU 11 1HD2 LEU 11 1.175 3.931 2.128 220 2HD2 LEU 11 2HD2 LEU 11 -0.130 2.858 2.636 221 3HD2 LEU 11 3HD2 LEU 11 1.423 2.813 3.469 222 H VAL 12 H VAL 12 1.648 2.579 -2.444 223 HA VAL 12 HA VAL 12 -0.962 1.609 -2.186 224 HB VAL 12 HB VAL 12 0.489 3.084 -4.081 225 1HG1 VAL 12 1HG1 VAL 12 -0.764 0.637 -5.337 226 2HG1 VAL 12 2HG1 VAL 12 -0.423 2.117 -6.233 227 3HG1 VAL 12 3HG1 VAL 12 0.897 1.202 -5.505 228 1HG2 VAL 12 1HG2 VAL 12 -2.130 2.811 -3.132 229 2HG2 VAL 12 2HG2 VAL 12 -1.537 4.059 -4.230 230 3HG2 VAL 12 3HG2 VAL 12 -2.262 2.586 -4.877 231 H GLU 13 H GLU 13 1.891 0.060 -3.483 232 HA GLU 13 HA GLU 13 0.621 -2.205 -4.694 233 1HB GLU 13 1HB GLU 13 3.087 -1.476 -4.866 234 2HB GLU 13 2HB GLU 13 3.309 -2.289 -3.317 235 1HG GLU 13 1HG GLU 13 3.687 -4.132 -4.598 236 2HG GLU 13 2HG GLU 13 1.928 -4.191 -4.713 237 H ALA 14 H ALA 14 1.891 -1.684 -1.400 238 HA ALA 14 HA ALA 14 1.260 -4.285 -0.403 239 1HB ALA 14 1HB ALA 14 2.077 -1.719 0.691 240 2HB ALA 14 2HB ALA 14 0.854 -2.471 1.714 241 3HB ALA 14 3HB ALA 14 2.345 -3.337 1.341 242 H LEU 15 H LEU 15 -0.588 -1.239 -0.329 243 HA LEU 15 HA LEU 15 -2.926 -2.312 0.886 244 1HB LEU 15 1HB LEU 15 -2.279 0.121 -0.728 245 2HB LEU 15 2HB LEU 15 -3.975 -0.274 -0.452 246 HG LEU 15 HG LEU 15 -2.091 -0.372 1.862 247 1HD1 LEU 15 1HD1 LEU 15 -2.095 1.871 0.325 248 2HD1 LEU 15 2HD1 LEU 15 -3.458 2.210 1.391 249 3HD1 LEU 15 3HD1 LEU 15 -1.864 1.889 2.073 250 1HD2 LEU 15 1HD2 LEU 15 -4.972 -0.339 1.329 251 2HD2 LEU 15 2HD2 LEU 15 -4.109 -0.844 2.785 252 3HD2 LEU 15 3HD2 LEU 15 -4.504 0.859 2.541 253 H GLU 16 H GLU 16 -1.683 -2.664 -2.335 254 HA GLU 16 HA GLU 16 -4.179 -3.104 -3.697 255 1HB GLU 16 1HB GLU 16 -1.345 -3.978 -4.230 256 2HB GLU 16 2HB GLU 16 -2.676 -4.547 -5.235 257 1HG GLU 16 1HG GLU 16 -2.981 -1.728 -4.875 258 2HG GLU 16 2HG GLU 16 -1.320 -2.042 -5.382 259 H LEU 17 H LEU 17 -2.044 -5.184 -1.806 260 HA LEU 17 HA LEU 17 -3.410 -7.652 -2.390 261 1HB LEU 17 1HB LEU 17 -1.160 -7.678 -1.453 262 2HB LEU 17 2HB LEU 17 -1.713 -6.810 -0.022 263 HG LEU 17 HG LEU 17 -3.331 -8.756 0.358 264 1HD1 LEU 17 1HD1 LEU 17 -1.837 -9.654 -2.035 265 2HD1 LEU 17 2HD1 LEU 17 -2.021 -10.865 -0.766 266 3HD1 LEU 17 3HD1 LEU 17 -3.446 -10.109 -1.477 267 1HD2 LEU 17 1HD2 LEU 17 -0.591 -8.404 1.000 268 2HD2 LEU 17 2HD2 LEU 17 -1.785 -9.350 1.887 269 3HD2 LEU 17 3HD2 LEU 17 -0.804 -10.115 0.637 270 H VAL 18 H VAL 18 -3.994 -4.996 -0.207 271 HA VAL 18 HA VAL 18 -5.624 -6.172 1.750 272 HB VAL 18 HB VAL 18 -5.866 -3.484 0.371 273 1HG1 VAL 18 1HG1 VAL 18 -7.690 -4.823 2.180 274 2HG1 VAL 18 2HG1 VAL 18 -7.016 -3.381 2.938 275 3HG1 VAL 18 3HG1 VAL 18 -7.855 -3.252 1.395 276 1HG2 VAL 18 1HG2 VAL 18 -4.675 -4.426 2.994 277 2HG2 VAL 18 2HG2 VAL 18 -3.803 -3.767 1.612 278 3HG2 VAL 18 3HG2 VAL 18 -4.870 -2.728 2.554 279 H CYS 19 H CYS 19 -7.066 -4.404 -1.000 280 HA CYS 19 HA CYS 19 -9.098 -6.590 -1.162 281 1HB CYS 19 1HB CYS 19 -9.457 -3.797 -0.658 282 2HB CYS 19 2HB CYS 19 -10.123 -4.151 -2.254 283 H GLY 20 H GLY 20 -7.325 -4.077 -2.947 284 1HA GLY 20 1HA GLY 20 -6.500 -4.095 -5.142 285 2HA GLY 20 2HA GLY 20 -6.823 -5.827 -5.173 286 H GLU 21 H GLU 21 -9.017 -6.513 -5.736 287 HA GLU 21 HA GLU 21 -10.076 -5.166 -7.993 288 1HB GLU 21 1HB GLU 21 -10.499 -7.541 -7.583 289 2HB GLU 21 2HB GLU 21 -11.417 -7.149 -6.128 290 1HG GLU 21 1HG GLU 21 -13.087 -5.962 -7.455 291 2HG GLU 21 2HG GLU 21 -12.149 -6.231 -8.924 292 H ARG 22 H ARG 22 -11.696 -5.488 -4.803 293 HA ARG 22 HA ARG 22 -13.653 -3.489 -5.323 294 1HB ARG 22 1HB ARG 22 -12.510 -4.702 -2.822 295 2HB ARG 22 2HB ARG 22 -13.615 -3.330 -2.703 296 1HG ARG 22 1HG ARG 22 -14.787 -5.075 -4.575 297 2HG ARG 22 2HG ARG 22 -14.223 -6.106 -3.261 298 1HD ARG 22 1HD ARG 22 -15.660 -3.568 -2.577 299 2HD ARG 22 2HD ARG 22 -16.602 -4.951 -3.132 300 HE ARG 22 HE ARG 22 -14.935 -5.998 -1.168 301 1HH1 ARG 22 1HH1 ARG 22 -17.228 -3.428 -1.430 302 2HH1 ARG 22 2HH1 ARG 22 -17.688 -3.498 0.237 303 1HH2 ARG 22 1HH2 ARG 22 -15.527 -6.095 1.006 304 2HH2 ARG 22 2HH2 ARG 22 -16.722 -5.000 1.617 305 H GLY 23 H GLY 23 -10.303 -3.241 -4.449 306 1HA GLY 23 1HA GLY 23 -8.989 -1.252 -4.589 307 2HA GLY 23 2HA GLY 23 -10.477 -0.311 -4.689 308 H PHE 24 H PHE 24 -9.191 1.005 -3.050 309 HA PHE 24 HA PHE 24 -10.113 0.249 -0.351 310 1HB PHE 24 1HB PHE 24 -7.672 0.990 0.419 311 2HB PHE 24 2HB PHE 24 -8.016 -0.689 0.014 312 HD1 PHE 24 HD1 PHE 24 -7.550 2.333 -2.147 313 HD2 PHE 24 HD2 PHE 24 -6.107 -1.563 -1.058 314 HE1 PHE 24 HE1 PHE 24 -5.879 2.444 -3.966 315 HE2 PHE 24 HE2 PHE 24 -4.437 -1.451 -2.880 316 HZ PHE 24 HZ PHE 24 -4.320 0.552 -4.338 317 H PHE 25 H PHE 25 -9.416 2.126 1.202 318 HA PHE 25 HA PHE 25 -10.135 4.654 -0.163 319 1HB PHE 25 1HB PHE 25 -9.842 3.879 2.754 320 2HB PHE 25 2HB PHE 25 -10.159 5.532 2.229 321 HD1 PHE 25 HD1 PHE 25 -12.253 6.045 0.928 322 HD2 PHE 25 HD2 PHE 25 -11.567 2.230 2.779 323 HE1 PHE 25 HE1 PHE 25 -14.672 5.521 0.748 324 HE2 PHE 25 HE2 PHE 25 -13.984 1.707 2.600 325 HZ PHE 25 HZ PHE 25 -15.536 3.352 1.585 326 H TYR 26 H TYR 26 -7.758 4.067 -1.133 327 HA TYR 26 HA TYR 26 -5.518 4.724 0.530 328 1HB TYR 26 1HB TYR 26 -5.573 3.494 -1.778 329 2HB TYR 26 2HB TYR 26 -5.457 5.121 -2.450 330 HD1 TYR 26 HD1 TYR 26 -3.970 3.870 0.737 331 HD2 TYR 26 HD2 TYR 26 -3.249 5.170 -3.288 332 HE1 TYR 26 HE1 TYR 26 -1.549 3.914 1.193 333 HE2 TYR 26 HE2 TYR 26 -0.815 5.218 -2.832 334 HH TYR 26 HH TYR 26 0.785 4.185 -1.272 335 H GLU 27 H GLU 27 -6.119 6.662 1.572 336 HA GLU 27 HA GLU 27 -5.746 9.084 -0.131 337 1HB GLU 27 1HB GLU 27 -8.160 8.563 0.873 338 2HB GLU 27 2HB GLU 27 -7.438 9.224 2.341 339 1HG GLU 27 1HG GLU 27 -6.684 10.921 0.180 340 2HG GLU 27 2HG GLU 27 -8.422 10.645 0.057 341 HA PRO 28 HA PRO 28 -2.690 8.313 3.373 342 1HB PRO 28 1HB PRO 28 -0.679 9.244 1.532 343 2HB PRO 28 2HB PRO 28 -0.862 7.638 2.251 344 1HG PRO 28 1HG PRO 28 -1.435 8.444 -0.464 345 2HG PRO 28 2HG PRO 28 -1.543 6.827 0.245 346 1HD PRO 28 1HD PRO 28 -3.711 8.505 -0.525 347 2HD PRO 28 2HD PRO 28 -3.806 6.959 0.338 348 H LYS 29 H LYS 29 -2.513 9.985 4.757 349 HA LYS 29 HA LYS 29 -2.682 12.759 3.701 350 1HB LYS 29 1HB LYS 29 -2.943 13.239 6.241 351 2HB LYS 29 2HB LYS 29 -4.277 12.435 5.412 352 1HG LYS 29 1HG LYS 29 -2.169 10.658 6.514 353 2HG LYS 29 2HG LYS 29 -3.187 11.481 7.697 354 1HD LYS 29 1HD LYS 29 -4.686 10.358 5.429 355 2HD LYS 29 2HD LYS 29 -3.858 9.143 6.403 356 1HE LYS 29 1HE LYS 29 -5.470 9.322 7.958 357 2HE LYS 29 2HE LYS 29 -5.009 11.006 8.211 358 1HZ LYS 29 1HZ LYS 29 -6.429 11.026 5.879 359 2HZ LYS 29 2HZ LYS 29 -7.284 9.935 6.860 360 3HZ LYS 29 3HZ LYS 29 -6.995 11.519 7.399 Start of MODEL 2 1 1H GLY 1 1H GLY 1 0.501 6.644 8.190 2 2H GLY 1 2H GLY 1 0.204 8.295 8.461 3 3H GLY 1 3H GLY 1 -0.251 7.145 9.625 4 1HA GLY 1 1HA GLY 1 -2.242 7.004 8.705 5 2HA GLY 1 2HA GLY 1 -1.731 8.115 7.435 6 H ILE 2 H ILE 2 -1.659 7.283 5.411 7 HA ILE 2 HA ILE 2 -1.043 4.402 5.066 8 HB ILE 2 HB ILE 2 -3.507 4.589 5.169 9 1HG1 ILE 2 1HG1 ILE 2 -3.969 3.380 3.146 10 2HG1 ILE 2 2HG1 ILE 2 -2.612 4.136 2.313 11 1HG2 ILE 2 1HG2 ILE 2 -2.932 6.867 3.417 12 2HG2 ILE 2 2HG2 ILE 2 -4.222 5.831 2.805 13 3HG2 ILE 2 3HG2 ILE 2 -4.352 6.544 4.414 14 1HD1 ILE 2 1HD1 ILE 2 -1.872 2.753 4.806 15 2HD1 ILE 2 2HD1 ILE 2 -2.504 1.689 3.549 16 3HD1 ILE 2 3HD1 ILE 2 -1.101 2.706 3.220 17 H GLY 3 H GLY 3 -0.104 7.363 4.376 18 1HA GLY 3 1HA GLY 3 0.049 7.352 1.479 19 2HA GLY 3 2HA GLY 3 0.986 8.392 2.555 20 H GLU 4 H GLU 4 3.075 7.770 3.124 21 HA GLU 4 HA GLU 4 3.990 5.086 2.200 22 1HB GLU 4 1HB GLU 4 5.502 7.677 1.742 23 2HB GLU 4 2HB GLU 4 6.017 6.062 1.248 24 1HG GLU 4 1HG GLU 4 4.663 6.059 -0.571 25 2HG GLU 4 2HG GLU 4 3.321 6.780 0.318 26 H GLN 5 H GLN 5 3.323 5.940 4.858 27 HA GLN 5 HA GLN 5 5.585 6.813 6.358 28 1HB GLN 5 1HB GLN 5 2.967 5.594 6.935 29 2HB GLN 5 2HB GLN 5 4.217 5.195 8.114 30 1HG GLN 5 1HG GLN 5 4.718 7.569 8.436 31 2HG GLN 5 2HG GLN 5 3.545 8.007 7.194 32 1HE2 GLN 5 2HE2 GLN 5 2.526 9.269 9.078 33 2HE2 GLN 5 1HE2 GLN 5 1.466 8.432 10.107 34 H CYS 6 H CYS 6 4.359 3.466 5.856 35 HA CYS 6 HA CYS 6 6.364 2.069 7.204 36 1HB CYS 6 1HB CYS 6 4.317 1.322 5.570 37 2HB CYS 6 2HB CYS 6 5.715 0.928 4.564 38 H CYS 7 H CYS 7 8.477 2.808 7.076 39 HA CYS 7 HA CYS 7 9.833 2.415 4.475 40 1HB CYS 7 1HB CYS 7 9.047 4.886 4.828 41 2HB CYS 7 2HB CYS 7 10.383 4.962 5.976 42 H THR 8 H THR 8 10.225 0.667 6.434 43 HA THR 8 HA THR 8 13.011 1.092 7.181 44 HB THR 8 HB THR 8 11.955 0.388 9.671 45 HG1 THR 8 HG1 THR 8 10.606 2.433 9.845 46 1HG2 THR 8 1HG2 THR 8 13.914 1.847 9.143 47 2HG2 THR 8 2HG2 THR 8 12.793 3.139 8.714 48 3HG2 THR 8 3HG2 THR 8 12.854 2.538 10.371 49 H SER 9 H SER 9 11.097 -0.836 5.791 50 HA SER 9 HA SER 9 12.408 -3.239 6.108 51 1HB SER 9 1HB SER 9 10.768 -4.480 7.663 52 2HB SER 9 2HB SER 9 11.946 -3.424 8.427 53 HG SER 9 HG SER 9 9.986 -2.896 9.288 54 H ILE 10 H ILE 10 9.231 -4.175 6.698 55 HA ILE 10 HA ILE 10 8.216 -3.553 4.032 56 HB ILE 10 HB ILE 10 9.792 -5.818 4.268 57 1HG1 ILE 10 1HG1 ILE 10 7.543 -5.549 2.272 58 2HG1 ILE 10 2HG1 ILE 10 8.940 -4.473 2.250 59 1HG2 ILE 10 1HG2 ILE 10 6.874 -6.630 4.379 60 2HG2 ILE 10 2HG2 ILE 10 8.191 -7.706 3.912 61 3HG2 ILE 10 3HG2 ILE 10 8.128 -7.046 5.547 62 1HD1 ILE 10 1HD1 ILE 10 9.850 -7.187 2.516 63 2HD1 ILE 10 2HD1 ILE 10 8.750 -7.076 1.142 64 3HD1 ILE 10 3HD1 ILE 10 10.174 -6.039 1.216 65 H CYS 11 H CYS 11 6.255 -2.831 4.659 66 HA CYS 11 HA CYS 11 4.858 -3.651 7.000 67 1HB CYS 11 1HB CYS 11 4.283 -2.019 4.610 68 2HB CYS 11 2HB CYS 11 2.858 -2.769 5.333 69 H SER 12 H SER 12 3.280 -5.226 7.337 70 HA SER 12 HA SER 12 3.240 -7.433 5.414 71 1HB SER 12 1HB SER 12 1.731 -7.056 8.018 72 2HB SER 12 2HB SER 12 1.804 -8.552 7.090 73 HG SER 12 HG SER 12 3.713 -8.909 7.885 74 H LEU 13 H LEU 13 1.618 -7.874 3.977 75 HA LEU 13 HA LEU 13 -0.269 -5.875 3.248 76 1HB LEU 13 1HB LEU 13 0.059 -8.798 2.619 77 2HB LEU 13 2HB LEU 13 -1.399 -7.956 2.097 78 HG LEU 13 HG LEU 13 0.276 -7.849 0.323 79 1HD1 LEU 13 1HD1 LEU 13 -1.201 -5.812 1.048 80 2HD1 LEU 13 2HD1 LEU 13 0.329 -5.119 1.588 81 3HD1 LEU 13 3HD1 LEU 13 0.106 -5.552 -0.107 82 1HD2 LEU 13 1HD2 LEU 13 2.236 -8.119 1.869 83 2HD2 LEU 13 2HD2 LEU 13 2.449 -6.822 0.692 84 3HD2 LEU 13 3HD2 LEU 13 2.025 -6.439 2.361 85 H TYR 14 H TYR 14 -0.635 -8.813 5.226 86 HA TYR 14 HA TYR 14 -3.386 -8.850 5.639 87 1HB TYR 14 1HB TYR 14 -2.064 -10.552 6.672 88 2HB TYR 14 2HB TYR 14 -1.117 -9.369 7.575 89 HD1 TYR 14 HD1 TYR 14 -4.774 -10.094 7.060 90 HD2 TYR 14 HD2 TYR 14 -1.599 -9.294 9.836 91 HE1 TYR 14 HE1 TYR 14 -6.382 -10.225 8.934 92 HE2 TYR 14 HE2 TYR 14 -3.206 -9.426 11.714 93 HH TYR 14 HH TYR 14 -6.406 -9.168 11.415 94 H GLN 15 H GLN 15 -1.004 -6.777 7.307 95 HA GLN 15 HA GLN 15 -2.833 -5.497 9.069 96 1HB GLN 15 1HB GLN 15 -0.102 -5.049 8.049 97 2HB GLN 15 2HB GLN 15 -0.947 -3.586 8.539 98 1HG GLN 15 1HG GLN 15 -1.591 -5.044 10.650 99 2HG GLN 15 2HG GLN 15 -0.153 -5.955 10.185 100 1HE2 GLN 15 2HE2 GLN 15 -1.076 -3.468 12.170 101 2HE2 GLN 15 1HE2 GLN 15 0.369 -2.579 12.210 102 H LEU 16 H LEU 16 -1.843 -4.757 5.743 103 HA LEU 16 HA LEU 16 -3.416 -2.302 5.627 104 1HB LEU 16 1HB LEU 16 -1.733 -3.898 3.746 105 2HB LEU 16 2HB LEU 16 -2.931 -2.812 3.045 106 HG LEU 16 HG LEU 16 -1.949 -0.901 4.038 107 1HD1 LEU 16 1HD1 LEU 16 -0.735 -2.918 5.897 108 2HD1 LEU 16 2HD1 LEU 16 0.103 -1.387 5.647 109 3HD1 LEU 16 3HD1 LEU 16 -1.545 -1.399 6.275 110 1HD2 LEU 16 1HD2 LEU 16 -0.091 -2.888 2.848 111 2HD2 LEU 16 2HD2 LEU 16 -0.445 -1.234 2.344 112 3HD2 LEU 16 3HD2 LEU 16 0.669 -1.529 3.679 113 H GLU 17 H GLU 17 -4.153 -5.617 5.370 114 HA GLU 17 HA GLU 17 -6.164 -5.596 3.352 115 1HB GLU 17 1HB GLU 17 -5.448 -7.351 5.628 116 2HB GLU 17 2HB GLU 17 -7.089 -7.499 5.003 117 1HG GLU 17 1HG GLU 17 -5.862 -7.505 2.664 118 2HG GLU 17 2HG GLU 17 -4.487 -8.046 3.627 119 H ASN 18 H ASN 18 -6.252 -4.604 6.723 120 HA ASN 18 HA ASN 18 -9.111 -4.533 6.986 121 1HB ASN 18 1HB ASN 18 -7.234 -4.322 8.790 122 2HB ASN 18 2HB ASN 18 -7.315 -2.601 8.409 123 1HD2 ASN 18 2HD2 ASN 18 -8.524 -1.700 10.111 124 2HD2 ASN 18 1HD2 ASN 18 -10.035 -2.279 10.622 125 H TYR 19 H TYR 19 -6.877 -2.490 5.339 126 HA TYR 19 HA TYR 19 -8.643 -0.148 5.371 127 1HB TYR 19 1HB TYR 19 -6.078 -0.738 3.872 128 2HB TYR 19 2HB TYR 19 -6.930 0.806 3.809 129 HD1 TYR 19 HD1 TYR 19 -7.825 1.308 6.492 130 HD2 TYR 19 HD2 TYR 19 -4.155 -0.501 5.183 131 HE1 TYR 19 HE1 TYR 19 -6.731 1.998 8.602 132 HE2 TYR 19 HE2 TYR 19 -3.063 0.187 7.292 133 HH TYR 19 HH TYR 19 -3.451 0.953 9.398 134 H CYS 20 H CYS 20 -8.892 -3.017 3.762 135 HA CYS 20 HA CYS 20 -9.272 -2.316 1.048 136 1HB CYS 20 1HB CYS 20 -9.457 -4.584 1.267 137 2HB CYS 20 2HB CYS 20 -10.252 -4.490 2.831 138 H ASN 21 H ASN 21 -11.434 -2.092 -0.046 139 HA ASN 21 HA ASN 21 -12.874 0.140 1.147 140 1HB ASN 21 1HB ASN 21 -12.424 -0.523 -1.407 141 2HB ASN 21 2HB ASN 21 -13.983 -1.323 -1.209 142 1HD2 ASN 21 2HD2 ASN 21 -12.699 1.535 -2.231 143 2HD2 ASN 21 1HD2 ASN 21 -13.977 2.587 -1.851 144 1H GLU 1 1H GLU 1 16.374 -5.540 -0.778 145 2H GLU 1 2H GLU 1 17.617 -4.398 -0.971 146 3H GLU 1 3H GLU 1 17.851 -6.007 -1.468 147 HA GLU 1 HA GLU 1 18.737 -6.445 0.500 148 1HB GLU 1 1HB GLU 1 19.078 -3.923 0.606 149 2HB GLU 1 2HB GLU 1 17.599 -3.850 1.565 150 1HG GLU 1 1HG GLU 1 18.547 -5.220 3.293 151 2HG GLU 1 2HG GLU 1 19.943 -5.623 2.291 152 H VAL 2 H VAL 2 15.715 -4.697 1.332 153 HA VAL 2 HA VAL 2 14.933 -7.098 2.931 154 HB VAL 2 HB VAL 2 15.118 -5.008 4.230 155 1HG1 VAL 2 1HG1 VAL 2 13.695 -3.974 1.897 156 2HG1 VAL 2 2HG1 VAL 2 12.927 -3.498 3.411 157 3HG1 VAL 2 3HG1 VAL 2 14.620 -3.103 3.120 158 1HG2 VAL 2 1HG2 VAL 2 12.983 -6.784 4.185 159 2HG2 VAL 2 2HG2 VAL 2 13.310 -5.609 5.460 160 3HG2 VAL 2 3HG2 VAL 2 12.193 -5.206 4.155 161 H ASN 3 H ASN 3 14.586 -6.783 0.019 162 HA ASN 3 HA ASN 3 12.916 -7.367 -1.523 163 1HB ASN 3 1HB ASN 3 11.819 -8.109 1.047 164 2HB ASN 3 2HB ASN 3 10.546 -7.485 -0.002 165 1HD2 ASN 3 2HD2 ASN 3 13.468 -9.578 -0.447 166 2HD2 ASN 3 1HD2 ASN 3 12.659 -10.750 -1.373 167 H GLN 4 H GLN 4 13.528 -4.599 -0.793 168 HA GLN 4 HA GLN 4 12.718 -2.475 -1.384 169 1HB GLN 4 1HB GLN 4 10.315 -3.985 -2.440 170 2HB GLN 4 2HB GLN 4 10.811 -2.350 -2.874 171 1HG GLN 4 1HG GLN 4 12.958 -3.280 -3.754 172 2HG GLN 4 2HG GLN 4 12.352 -4.903 -3.427 173 1HE2 GLN 4 2HE2 GLN 4 12.359 -2.354 -5.740 174 2HE2 GLN 4 1HE2 GLN 4 11.179 -2.991 -6.778 175 H HIS 5 H HIS 5 10.369 -1.236 -1.203 176 HA HIS 5 HA HIS 5 8.715 -2.084 1.014 177 1HB HIS 5 1HB HIS 5 10.983 -1.227 2.024 178 2HB HIS 5 2HB HIS 5 10.339 0.371 1.642 179 HD1 HIS 5 HD1 HIS 5 10.269 0.598 4.370 180 HD2 HIS 5 HD2 HIS 5 7.546 -2.048 2.655 181 HE1 HIS 5 HE1 HIS 5 8.476 0.179 6.113 182 H LEU 6 H LEU 6 7.624 0.294 1.816 183 HA LEU 6 HA LEU 6 6.671 1.467 -0.751 184 1HB LEU 6 1HB LEU 6 5.275 1.489 1.938 185 2HB LEU 6 2HB LEU 6 4.582 1.896 0.368 186 HG LEU 6 HG LEU 6 3.840 -0.322 0.795 187 1HD1 LEU 6 1HD1 LEU 6 5.313 0.221 -1.398 188 2HD1 LEU 6 2HD1 LEU 6 6.274 -1.097 -0.729 189 3HD1 LEU 6 3HD1 LEU 6 4.573 -1.355 -1.116 190 1HD2 LEU 6 1HD2 LEU 6 5.997 -0.469 2.499 191 2HD2 LEU 6 2HD2 LEU 6 4.959 -1.830 2.074 192 3HD2 LEU 6 3HD2 LEU 6 6.473 -1.572 1.207 193 H CYS 7 H CYS 7 8.382 3.061 -0.802 194 HA CYS 7 HA CYS 7 7.919 5.283 1.134 195 1HB CYS 7 1HB CYS 7 10.156 3.691 1.242 196 2HB CYS 7 2HB CYS 7 10.698 5.000 0.192 197 H GLY 8 H GLY 8 7.204 6.953 -0.099 198 1HA GLY 8 1HA GLY 8 7.935 8.710 -1.709 199 2HA GLY 8 2HA GLY 8 8.552 7.410 -2.731 200 H SER 9 H SER 9 6.380 5.621 -2.560 201 HA SER 9 HA SER 9 3.793 6.535 -2.889 202 1HB SER 9 1HB SER 9 5.510 7.561 -4.990 203 2HB SER 9 2HB SER 9 4.236 6.548 -5.663 204 HG SER 9 HG SER 9 2.720 7.818 -4.636 205 H GLU 10 H GLU 10 5.306 4.120 -2.353 206 HA GLU 10 HA GLU 10 4.263 2.348 -4.523 207 1HB GLU 10 1HB GLU 10 6.604 2.037 -2.634 208 2HB GLU 10 2HB GLU 10 5.965 0.698 -3.588 209 1HG GLU 10 1HG GLU 10 6.660 3.292 -4.937 210 2HG GLU 10 2HG GLU 10 7.933 2.131 -4.559 211 H LEU 11 H LEU 11 3.524 3.428 -1.495 212 HA LEU 11 HA LEU 11 2.908 0.946 -0.159 213 1HB LEU 11 1HB LEU 11 3.176 3.180 0.987 214 2HB LEU 11 2HB LEU 11 1.616 3.646 0.315 215 HG LEU 11 HG LEU 11 0.457 1.993 1.561 216 1HD1 LEU 11 1HD1 LEU 11 3.189 0.808 2.139 217 2HD1 LEU 11 2HD1 LEU 11 1.695 0.262 2.899 218 3HD1 LEU 11 3HD1 LEU 11 1.912 0.088 1.157 219 1HD2 LEU 11 1HD2 LEU 11 2.223 3.819 2.858 220 2HD2 LEU 11 2HD2 LEU 11 0.685 3.194 3.451 221 3HD2 LEU 11 3HD2 LEU 11 2.185 2.342 3.820 222 H VAL 12 H VAL 12 1.295 2.866 -2.568 223 HA VAL 12 HA VAL 12 -1.370 1.899 -2.157 224 HB VAL 12 HB VAL 12 -0.059 3.616 -3.978 225 1HG1 VAL 12 1HG1 VAL 12 -1.513 1.382 -5.424 226 2HG1 VAL 12 2HG1 VAL 12 -1.021 2.909 -6.156 227 3HG1 VAL 12 3HG1 VAL 12 0.200 1.776 -5.573 228 1HG2 VAL 12 1HG2 VAL 12 -2.705 3.009 -2.997 229 2HG2 VAL 12 2HG2 VAL 12 -2.064 4.548 -3.579 230 3HG2 VAL 12 3HG2 VAL 12 -2.775 3.400 -4.715 231 H GLU 13 H GLU 13 1.404 0.636 -3.951 232 HA GLU 13 HA GLU 13 0.113 -1.519 -5.274 233 1HB GLU 13 1HB GLU 13 2.555 -0.715 -5.494 234 2HB GLU 13 2HB GLU 13 2.880 -1.704 -4.068 235 1HG GLU 13 1HG GLU 13 1.610 -3.565 -5.440 236 2HG GLU 13 2HG GLU 13 2.053 -2.564 -6.823 237 H ALA 14 H ALA 14 1.554 -1.310 -2.029 238 HA ALA 14 HA ALA 14 1.084 -4.002 -1.237 239 1HB ALA 14 1HB ALA 14 1.620 -1.431 0.111 240 2HB ALA 14 2HB ALA 14 0.719 -2.590 1.088 241 3HB ALA 14 3HB ALA 14 2.296 -3.028 0.431 242 H LEU 15 H LEU 15 -0.975 -1.117 -1.073 243 HA LEU 15 HA LEU 15 -3.169 -2.386 0.271 244 1HB LEU 15 1HB LEU 15 -2.874 0.089 -1.417 245 2HB LEU 15 2HB LEU 15 -4.463 -0.441 -0.867 246 HG LEU 15 HG LEU 15 -2.321 -0.387 1.181 247 1HD1 LEU 15 1HD1 LEU 15 -2.519 1.814 -0.472 248 2HD1 LEU 15 2HD1 LEU 15 -3.629 2.222 0.836 249 3HD1 LEU 15 3HD1 LEU 15 -1.944 1.849 1.195 250 1HD2 LEU 15 1HD2 LEU 15 -5.124 -0.620 1.054 251 2HD2 LEU 15 2HD2 LEU 15 -4.144 -0.461 2.514 252 3HD2 LEU 15 3HD2 LEU 15 -4.824 0.976 1.748 253 H GLU 16 H GLU 16 -2.102 -2.403 -3.053 254 HA GLU 16 HA GLU 16 -4.545 -3.027 -4.353 255 1HB GLU 16 1HB GLU 16 -1.687 -3.810 -4.931 256 2HB GLU 16 2HB GLU 16 -3.019 -4.315 -5.967 257 1HG GLU 16 1HG GLU 16 -3.327 -1.524 -5.431 258 2HG GLU 16 2HG GLU 16 -1.665 -1.803 -5.951 259 H LEU 17 H LEU 17 -2.298 -5.059 -2.530 260 HA LEU 17 HA LEU 17 -3.608 -7.555 -3.185 261 1HB LEU 17 1HB LEU 17 -1.308 -7.555 -2.355 262 2HB LEU 17 2HB LEU 17 -1.825 -6.794 -0.850 263 HG LEU 17 HG LEU 17 -3.093 -8.729 -0.207 264 1HD1 LEU 17 1HD1 LEU 17 -2.429 -9.817 -2.962 265 2HD1 LEU 17 2HD1 LEU 17 -3.290 -10.697 -1.699 266 3HD1 LEU 17 3HD1 LEU 17 -4.016 -9.263 -2.426 267 1HD2 LEU 17 1HD2 LEU 17 -0.302 -9.141 -1.184 268 2HD2 LEU 17 2HD2 LEU 17 -0.946 -9.259 0.453 269 3HD2 LEU 17 3HD2 LEU 17 -1.204 -10.574 -0.694 270 H VAL 18 H VAL 18 -4.047 -5.087 -0.725 271 HA VAL 18 HA VAL 18 -5.588 -6.391 1.189 272 HB VAL 18 HB VAL 18 -5.999 -3.631 0.003 273 1HG1 VAL 18 1HG1 VAL 18 -7.539 -5.146 1.952 274 2HG1 VAL 18 2HG1 VAL 18 -6.866 -3.681 2.665 275 3HG1 VAL 18 3HG1 VAL 18 -7.887 -3.574 1.232 276 1HG2 VAL 18 1HG2 VAL 18 -4.536 -4.635 2.464 277 2HG2 VAL 18 2HG2 VAL 18 -3.788 -3.995 1.002 278 3HG2 VAL 18 3HG2 VAL 18 -4.748 -2.937 2.036 279 H CYS 19 H CYS 19 -7.251 -4.432 -1.279 280 HA CYS 19 HA CYS 19 -9.237 -6.655 -1.507 281 1HB CYS 19 1HB CYS 19 -9.614 -3.908 -0.771 282 2HB CYS 19 2HB CYS 19 -10.404 -4.181 -2.326 283 H GLY 20 H GLY 20 -7.664 -3.950 -3.202 284 1HA GLY 20 1HA GLY 20 -6.942 -3.814 -5.430 285 2HA GLY 20 2HA GLY 20 -7.283 -5.535 -5.581 286 H GLU 21 H GLU 21 -9.537 -6.153 -6.024 287 HA GLU 21 HA GLU 21 -10.681 -4.668 -8.146 288 1HB GLU 21 1HB GLU 21 -12.015 -6.686 -6.314 289 2HB GLU 21 2HB GLU 21 -12.649 -6.148 -7.870 290 1HG GLU 21 1HG GLU 21 -11.443 -7.781 -8.843 291 2HG GLU 21 2HG GLU 21 -9.987 -6.904 -8.375 292 H ARG 22 H ARG 22 -12.501 -5.271 -5.145 293 HA ARG 22 HA ARG 22 -14.327 -3.211 -5.349 294 1HB ARG 22 1HB ARG 22 -12.986 -4.469 -2.973 295 2HB ARG 22 2HB ARG 22 -14.083 -3.106 -2.734 296 1HG ARG 22 1HG ARG 22 -15.046 -5.254 -4.543 297 2HG ARG 22 2HG ARG 22 -14.939 -5.665 -2.829 298 1HD ARG 22 1HD ARG 22 -16.146 -3.033 -3.525 299 2HD ARG 22 2HD ARG 22 -17.108 -4.475 -3.858 300 HE ARG 22 HE ARG 22 -16.209 -4.849 -1.261 301 1HH1 ARG 22 1HH1 ARG 22 -17.877 -2.380 -3.007 302 2HH1 ARG 22 2HH1 ARG 22 -18.767 -1.826 -1.629 303 1HH2 ARG 22 1HH2 ARG 22 -17.368 -4.137 0.542 304 2HH2 ARG 22 2HH2 ARG 22 -18.481 -2.821 0.378 305 H GLY 23 H GLY 23 -10.982 -2.948 -4.175 306 1HA GLY 23 1HA GLY 23 -9.740 -0.865 -4.650 307 2HA GLY 23 2HA GLY 23 -11.254 0.016 -4.443 308 H PHE 24 H PHE 24 -9.824 1.255 -2.880 309 HA PHE 24 HA PHE 24 -10.325 0.230 -0.172 310 1HB PHE 24 1HB PHE 24 -7.790 0.895 0.321 311 2HB PHE 24 2HB PHE 24 -8.226 -0.739 -0.172 312 HD1 PHE 24 HD1 PHE 24 -8.116 2.377 -2.231 313 HD2 PHE 24 HD2 PHE 24 -6.372 -1.469 -1.450 314 HE1 PHE 24 HE1 PHE 24 -6.694 2.615 -4.240 315 HE2 PHE 24 HE2 PHE 24 -4.949 -1.231 -3.460 316 HZ PHE 24 HZ PHE 24 -5.106 0.812 -4.859 317 H PHE 25 H PHE 25 -9.374 1.943 1.449 318 HA PHE 25 HA PHE 25 -10.123 4.616 0.364 319 1HB PHE 25 1HB PHE 25 -9.838 3.743 3.257 320 2HB PHE 25 2HB PHE 25 -10.528 5.259 2.676 321 HD1 PHE 25 HD1 PHE 25 -12.580 5.106 1.102 322 HD2 PHE 25 HD2 PHE 25 -11.203 1.852 3.544 323 HE1 PHE 25 HE1 PHE 25 -14.800 4.019 0.906 324 HE2 PHE 25 HE2 PHE 25 -13.423 0.764 3.347 325 HZ PHE 25 HZ PHE 25 -15.222 1.849 2.028 326 H TYR 26 H TYR 26 -7.951 4.823 -0.634 327 HA TYR 26 HA TYR 26 -5.615 4.870 1.122 328 1HB TYR 26 1HB TYR 26 -5.711 4.356 -1.439 329 2HB TYR 26 2HB TYR 26 -5.686 6.112 -1.619 330 HD1 TYR 26 HD1 TYR 26 -3.863 7.362 -0.154 331 HD2 TYR 26 HD2 TYR 26 -3.676 3.222 -1.276 332 HE1 TYR 26 HE1 TYR 26 -1.421 7.369 0.242 333 HE2 TYR 26 HE2 TYR 26 -1.233 3.227 -0.881 334 HH TYR 26 HH TYR 26 0.526 6.181 -0.264 335 H GLU 27 H GLU 27 -6.607 6.456 2.651 336 HA GLU 27 HA GLU 27 -6.186 9.250 1.677 337 1HB GLU 27 1HB GLU 27 -7.950 9.964 3.240 338 2HB GLU 27 2HB GLU 27 -8.584 8.782 2.095 339 1HG GLU 27 1HG GLU 27 -7.734 7.111 4.045 340 2HG GLU 27 2HG GLU 27 -8.133 8.528 5.019 341 HA PRO 28 HA PRO 28 -3.001 8.460 4.829 342 1HB PRO 28 1HB PRO 28 -1.805 10.939 4.006 343 2HB PRO 28 2HB PRO 28 -1.226 9.293 3.709 344 1HG PRO 28 1HG PRO 28 -2.428 11.118 1.821 345 2HG PRO 28 2HG PRO 28 -1.802 9.491 1.521 346 1HD PRO 28 1HD PRO 28 -4.544 10.316 1.586 347 2HD PRO 28 2HD PRO 28 -3.915 8.674 1.368 348 H LYS 29 H LYS 29 -4.530 8.924 6.535 349 HA LYS 29 HA LYS 29 -5.172 11.730 7.146 350 1HB LYS 29 1HB LYS 29 -6.320 10.699 9.142 351 2HB LYS 29 2HB LYS 29 -6.895 10.089 7.589 352 1HG LYS 29 1HG LYS 29 -4.599 8.623 8.746 353 2HG LYS 29 2HG LYS 29 -6.112 8.481 9.642 354 1HD LYS 29 1HD LYS 29 -6.770 8.239 6.892 355 2HD LYS 29 2HD LYS 29 -5.366 7.206 7.171 356 1HE LYS 29 1HE LYS 29 -8.080 7.088 8.467 357 2HE LYS 29 2HE LYS 29 -7.152 5.787 7.719 358 1HZ LYS 29 1HZ LYS 29 -5.493 6.544 9.660 359 2HZ LYS 29 2HZ LYS 29 -6.982 6.882 10.400 360 3HZ LYS 29 3HZ LYS 29 -6.649 5.312 9.842 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -3.520 7.464 8.147 2 2H GLY 1 2H GLY 1 -3.601 7.791 9.810 3 3H GLY 1 3H GLY 1 -2.916 8.932 8.755 4 1HA GLY 1 1HA GLY 1 -0.926 8.035 9.003 5 2HA GLY 1 2HA GLY 1 -1.629 6.877 10.134 6 H ILE 2 H ILE 2 -1.978 7.361 6.600 7 HA ILE 2 HA ILE 2 -1.201 4.491 6.289 8 HB ILE 2 HB ILE 2 -3.673 5.128 5.872 9 1HG1 ILE 2 1HG1 ILE 2 -2.126 3.834 3.602 10 2HG1 ILE 2 2HG1 ILE 2 -2.559 3.015 5.103 11 1HG2 ILE 2 1HG2 ILE 2 -2.719 7.170 4.452 12 2HG2 ILE 2 2HG2 ILE 2 -2.750 5.973 3.161 13 3HG2 ILE 2 3HG2 ILE 2 -4.236 6.383 4.012 14 1HD1 ILE 2 1HD1 ILE 2 -4.673 4.376 3.448 15 2HD1 ILE 2 2HD1 ILE 2 -4.133 2.746 3.043 16 3HD1 ILE 2 3HD1 ILE 2 -4.856 3.071 4.619 17 H GLY 3 H GLY 3 -0.019 7.457 5.857 18 1HA GLY 3 1HA GLY 3 0.725 7.578 3.100 19 2HA GLY 3 2HA GLY 3 1.609 8.356 4.417 20 H GLU 4 H GLU 4 3.712 7.746 3.813 21 HA GLU 4 HA GLU 4 4.236 4.884 3.285 22 1HB GLU 4 1HB GLU 4 6.187 7.205 3.372 23 2HB GLU 4 2HB GLU 4 6.501 5.590 2.733 24 1HG GLU 4 1HG GLU 4 5.882 6.480 0.739 25 2HG GLU 4 2HG GLU 4 4.238 6.300 1.354 26 H GLN 5 H GLN 5 3.371 5.869 5.968 27 HA GLN 5 HA GLN 5 5.354 6.105 7.890 28 1HB GLN 5 1HB GLN 5 2.743 5.790 8.119 29 2HB GLN 5 2HB GLN 5 3.171 4.096 8.359 30 1HG GLN 5 1HG GLN 5 3.775 4.526 10.479 31 2HG GLN 5 2HG GLN 5 4.952 5.713 9.917 32 1HE2 GLN 5 2HE2 GLN 5 2.039 5.362 11.665 33 2HE2 GLN 5 1HE2 GLN 5 1.577 6.995 11.683 34 H CYS 6 H CYS 6 4.166 3.053 6.465 35 HA CYS 6 HA CYS 6 6.210 1.466 7.806 36 1HB CYS 6 1HB CYS 6 4.608 0.669 5.364 37 2HB CYS 6 2HB CYS 6 5.315 -0.389 6.586 38 H CYS 7 H CYS 7 8.100 2.757 7.102 39 HA CYS 7 HA CYS 7 8.865 2.184 4.266 40 1HB CYS 7 1HB CYS 7 8.689 4.582 4.673 41 2HB CYS 7 2HB CYS 7 9.727 4.447 6.093 42 H THR 8 H THR 8 10.221 2.578 7.557 43 HA THR 8 HA THR 8 12.811 1.682 7.179 44 HB THR 8 HB THR 8 12.021 0.299 9.473 45 HG1 THR 8 HG1 THR 8 9.971 1.062 9.445 46 1HG2 THR 8 1HG2 THR 8 13.848 2.103 8.942 47 2HG2 THR 8 2HG2 THR 8 12.632 3.240 9.525 48 3HG2 THR 8 3HG2 THR 8 13.227 1.963 10.587 49 H SER 9 H SER 9 9.861 -0.193 6.982 50 HA SER 9 HA SER 9 11.377 -2.421 5.792 51 1HB SER 9 1HB SER 9 10.429 -4.106 7.306 52 2HB SER 9 2HB SER 9 11.358 -2.933 8.226 53 HG SER 9 HG SER 9 9.255 -1.823 8.475 54 H ILE 10 H ILE 10 8.872 -4.114 6.311 55 HA ILE 10 HA ILE 10 7.093 -2.684 4.378 56 HB ILE 10 HB ILE 10 6.944 -5.633 4.387 57 1HG1 ILE 10 1HG1 ILE 10 9.365 -4.254 3.180 58 2HG1 ILE 10 2HG1 ILE 10 9.415 -5.212 4.660 59 1HG2 ILE 10 1HG2 ILE 10 7.168 -3.469 2.275 60 2HG2 ILE 10 2HG2 ILE 10 6.947 -5.183 1.916 61 3HG2 ILE 10 3HG2 ILE 10 5.698 -4.296 2.789 62 1HD1 ILE 10 1HD1 ILE 10 8.415 -7.128 3.325 63 2HD1 ILE 10 2HD1 ILE 10 8.701 -6.163 1.876 64 3HD1 ILE 10 3HD1 ILE 10 10.060 -6.681 2.873 65 H CYS 11 H CYS 11 4.971 -2.538 4.976 66 HA CYS 11 HA CYS 11 4.216 -3.485 7.638 67 1HB CYS 11 1HB CYS 11 3.210 -1.577 5.676 68 2HB CYS 11 2HB CYS 11 1.911 -2.544 6.376 69 H SER 12 H SER 12 3.298 -5.440 8.030 70 HA SER 12 HA SER 12 2.856 -7.460 6.169 71 1HB SER 12 1HB SER 12 1.140 -8.342 7.860 72 2HB SER 12 2HB SER 12 2.763 -8.041 8.478 73 HG SER 12 HG SER 12 1.485 -7.009 9.893 74 H LEU 13 H LEU 13 1.326 -7.831 4.614 75 HA LEU 13 HA LEU 13 -0.543 -5.803 3.867 76 1HB LEU 13 1HB LEU 13 -0.295 -8.728 3.137 77 2HB LEU 13 2HB LEU 13 -1.547 -7.695 2.452 78 HG LEU 13 HG LEU 13 0.313 -7.677 0.918 79 1HD1 LEU 13 1HD1 LEU 13 -0.840 -5.461 1.666 80 2HD1 LEU 13 2HD1 LEU 13 0.692 -5.127 2.475 81 3HD1 LEU 13 3HD1 LEU 13 0.650 -5.358 0.727 82 1HD2 LEU 13 1HD2 LEU 13 1.917 -8.374 2.857 83 2HD2 LEU 13 2HD2 LEU 13 2.558 -7.382 1.546 84 3HD2 LEU 13 3HD2 LEU 13 2.127 -6.638 3.086 85 H TYR 14 H TYR 14 -1.048 -8.943 5.496 86 HA TYR 14 HA TYR 14 -3.783 -9.003 5.801 87 1HB TYR 14 1HB TYR 14 -2.519 -10.769 6.782 88 2HB TYR 14 2HB TYR 14 -1.614 -9.655 7.807 89 HD1 TYR 14 HD1 TYR 14 -5.279 -10.068 7.094 90 HD2 TYR 14 HD2 TYR 14 -2.154 -10.007 10.034 91 HE1 TYR 14 HE1 TYR 14 -6.964 -10.333 8.887 92 HE2 TYR 14 HE2 TYR 14 -3.835 -10.273 11.831 93 HH TYR 14 HH TYR 14 -7.031 -9.706 11.455 94 H GLN 15 H GLN 15 -1.540 -7.076 7.815 95 HA GLN 15 HA GLN 15 -3.581 -5.924 9.459 96 1HB GLN 15 1HB GLN 15 -0.706 -5.507 8.920 97 2HB GLN 15 2HB GLN 15 -1.573 -4.077 9.465 98 1HG GLN 15 1HG GLN 15 -2.442 -5.337 11.402 99 2HG GLN 15 2HG GLN 15 -1.567 -6.768 10.853 100 1HE2 GLN 15 2HE2 GLN 15 -0.544 -3.311 11.024 101 2HE2 GLN 15 1HE2 GLN 15 0.823 -3.612 11.986 102 H LEU 16 H LEU 16 -2.041 -4.887 6.429 103 HA LEU 16 HA LEU 16 -3.417 -2.337 6.331 104 1HB LEU 16 1HB LEU 16 -1.599 -3.898 4.605 105 2HB LEU 16 2HB LEU 16 -2.734 -2.873 3.734 106 HG LEU 16 HG LEU 16 -1.921 -0.902 4.729 107 1HD1 LEU 16 1HD1 LEU 16 -0.751 -2.755 6.815 108 2HD1 LEU 16 2HD1 LEU 16 -0.229 -1.078 6.664 109 3HD1 LEU 16 3HD1 LEU 16 -1.911 -1.446 7.049 110 1HD2 LEU 16 1HD2 LEU 16 0.128 -2.899 3.935 111 2HD2 LEU 16 2HD2 LEU 16 -0.187 -1.289 3.287 112 3HD2 LEU 16 3HD2 LEU 16 0.732 -1.473 4.780 113 H GLU 17 H GLU 17 -4.455 -5.525 5.809 114 HA GLU 17 HA GLU 17 -6.256 -5.175 3.616 115 1HB GLU 17 1HB GLU 17 -6.090 -7.106 5.904 116 2HB GLU 17 2HB GLU 17 -7.503 -7.109 4.850 117 1HG GLU 17 1HG GLU 17 -5.649 -7.074 2.945 118 2HG GLU 17 2HG GLU 17 -4.666 -7.804 4.215 119 H ASN 18 H ASN 18 -6.533 -4.405 7.035 120 HA ASN 18 HA ASN 18 -9.328 -4.124 7.270 121 1HB ASN 18 1HB ASN 18 -7.048 -2.579 8.508 122 2HB ASN 18 2HB ASN 18 -8.732 -2.272 8.933 123 1HD2 ASN 18 2HD2 ASN 18 -6.288 -4.907 8.845 124 2HD2 ASN 18 1HD2 ASN 18 -6.995 -5.808 10.097 125 H TYR 19 H TYR 19 -7.064 -2.263 5.440 126 HA TYR 19 HA TYR 19 -8.784 0.098 5.244 127 1HB TYR 19 1HB TYR 19 -6.259 -0.729 3.793 128 2HB TYR 19 2HB TYR 19 -7.094 0.798 3.500 129 HD1 TYR 19 HD1 TYR 19 -7.861 1.936 5.909 130 HD2 TYR 19 HD2 TYR 19 -4.423 -0.543 5.213 131 HE1 TYR 19 HE1 TYR 19 -6.747 2.929 7.880 132 HE2 TYR 19 HE2 TYR 19 -3.308 0.451 7.186 133 HH TYR 19 HH TYR 19 -4.997 2.772 9.279 134 H CYS 20 H CYS 20 -8.171 -2.797 3.310 135 HA CYS 20 HA CYS 20 -9.221 -2.050 0.843 136 1HB CYS 20 1HB CYS 20 -8.597 -4.238 0.722 137 2HB CYS 20 2HB CYS 20 -9.105 -4.594 2.365 138 H ASN 21 H ASN 21 -11.407 -2.368 -0.039 139 HA ASN 21 HA ASN 21 -13.437 -1.450 1.934 140 1HB ASN 21 1HB ASN 21 -14.406 -0.211 0.241 141 2HB ASN 21 2HB ASN 21 -12.742 -0.251 -0.339 142 1HD2 ASN 21 2HD2 ASN 21 -12.656 -0.710 -2.520 143 2HD2 ASN 21 1HD2 ASN 21 -13.706 -1.755 -3.349 144 1H GLU 1 1H GLU 1 14.997 -4.588 -6.082 145 2H GLU 1 2H GLU 1 14.063 -4.832 -7.476 146 3H GLU 1 3H GLU 1 13.495 -3.812 -6.242 147 HA GLU 1 HA GLU 1 12.300 -5.648 -5.719 148 1HB GLU 1 1HB GLU 1 12.974 -7.903 -6.255 149 2HB GLU 1 2HB GLU 1 13.324 -6.901 -7.662 150 1HG GLU 1 1HG GLU 1 15.634 -6.706 -6.113 151 2HG GLU 1 2HG GLU 1 15.162 -8.398 -5.964 152 H VAL 2 H VAL 2 13.673 -8.011 -4.486 153 HA VAL 2 HA VAL 2 14.714 -8.592 -2.459 154 HB VAL 2 HB VAL 2 15.701 -5.794 -2.047 155 1HG1 VAL 2 1HG1 VAL 2 16.262 -8.445 -1.098 156 2HG1 VAL 2 2HG1 VAL 2 17.700 -7.819 -1.903 157 3HG1 VAL 2 3HG1 VAL 2 16.975 -6.921 -0.571 158 1HG2 VAL 2 1HG2 VAL 2 16.291 -7.549 -4.386 159 2HG2 VAL 2 2HG2 VAL 2 16.338 -5.791 -4.262 160 3HG2 VAL 2 3HG2 VAL 2 17.667 -6.755 -3.618 161 H ASN 3 H ASN 3 15.013 -6.566 -0.254 162 HA ASN 3 HA ASN 3 12.526 -6.928 1.030 163 1HB ASN 3 1HB ASN 3 13.299 -4.921 2.453 164 2HB ASN 3 2HB ASN 3 14.365 -6.325 2.404 165 1HD2 ASN 3 1HD2 ASN 3 16.005 -4.496 3.007 166 2HD2 ASN 3 2HD2 ASN 3 16.743 -3.684 1.712 167 H GLN 4 H GLN 4 10.811 -6.355 -0.386 168 HA GLN 4 HA GLN 4 10.656 -3.722 -1.606 169 1HB GLN 4 1HB GLN 4 8.841 -6.088 -1.342 170 2HB GLN 4 2HB GLN 4 8.124 -4.532 -1.759 171 1HG GLN 4 1HG GLN 4 9.216 -4.414 -3.795 172 2HG GLN 4 2HG GLN 4 10.576 -5.392 -3.240 173 1HE2 GLN 4 2HE2 GLN 4 10.006 -6.514 -5.444 174 2HE2 GLN 4 1HE2 GLN 4 8.874 -7.776 -5.373 175 H HIS 5 H HIS 5 10.616 -2.032 -0.154 176 HA HIS 5 HA HIS 5 8.770 -2.235 2.176 177 1HB HIS 5 1HB HIS 5 9.990 -0.266 3.043 178 2HB HIS 5 2HB HIS 5 11.097 -1.591 2.678 179 HD1 HIS 5 HD1 HIS 5 12.634 0.831 2.601 180 HD2 HIS 5 HD2 HIS 5 10.237 -0.165 -0.661 181 HE1 HIS 5 HE1 HIS 5 13.537 2.136 0.626 182 H LEU 6 H LEU 6 8.096 0.332 2.665 183 HA LEU 6 HA LEU 6 6.782 1.259 0.140 184 1HB LEU 6 1HB LEU 6 5.632 1.337 2.946 185 2HB LEU 6 2HB LEU 6 4.828 1.890 1.478 186 HG LEU 6 HG LEU 6 3.976 -0.301 1.901 187 1HD1 LEU 6 1HD1 LEU 6 5.266 0.325 -0.429 188 2HD1 LEU 6 2HD1 LEU 6 6.054 -1.191 0.005 189 3HD1 LEU 6 3HD1 LEU 6 4.302 -1.133 -0.189 190 1HD2 LEU 6 1HD2 LEU 6 6.364 -0.701 3.236 191 2HD2 LEU 6 2HD2 LEU 6 5.155 -1.947 2.926 192 3HD2 LEU 6 3HD2 LEU 6 6.527 -1.756 1.834 193 H CYS 7 H CYS 7 8.217 2.949 -0.292 194 HA CYS 7 HA CYS 7 8.090 5.219 1.621 195 1HB CYS 7 1HB CYS 7 10.365 3.605 1.373 196 2HB CYS 7 2HB CYS 7 10.718 5.020 0.382 197 H GLY 8 H GLY 8 7.644 7.085 0.525 198 1HA GLY 8 1HA GLY 8 7.753 8.659 -1.262 199 2HA GLY 8 2HA GLY 8 8.609 7.458 -2.232 200 H SER 9 H SER 9 5.379 7.986 -0.785 201 HA SER 9 HA SER 9 3.271 7.249 -1.548 202 1HB SER 9 1HB SER 9 2.708 8.166 -3.671 203 2HB SER 9 2HB SER 9 3.960 9.228 -3.035 204 HG SER 9 HG SER 9 5.193 8.652 -4.629 205 H GLU 10 H GLU 10 5.477 5.231 -1.565 206 HA GLU 10 HA GLU 10 4.665 3.550 -3.886 207 1HB GLU 10 1HB GLU 10 6.974 3.373 -1.934 208 2HB GLU 10 2HB GLU 10 6.596 2.095 -3.089 209 1HG GLU 10 1HG GLU 10 6.566 4.528 -4.543 210 2HG GLU 10 2HG GLU 10 8.017 4.557 -3.541 211 H LEU 11 H LEU 11 3.678 4.058 -0.771 212 HA LEU 11 HA LEU 11 3.435 1.330 0.173 213 1HB LEU 11 1HB LEU 11 3.329 3.168 1.765 214 2HB LEU 11 2HB LEU 11 1.923 3.844 0.941 215 HG LEU 11 HG LEU 11 0.873 1.473 1.375 216 1HD1 LEU 11 1HD1 LEU 11 3.399 1.357 2.807 217 2HD1 LEU 11 2HD1 LEU 11 2.036 1.110 3.897 218 3HD1 LEU 11 3HD1 LEU 11 2.239 0.068 2.488 219 1HD2 LEU 11 1HD2 LEU 11 0.305 3.764 2.409 220 2HD2 LEU 11 2HD2 LEU 11 -0.168 2.332 3.322 221 3HD2 LEU 11 3HD2 LEU 11 1.269 3.240 3.791 222 H VAL 12 H VAL 12 1.531 3.385 -1.934 223 HA VAL 12 HA VAL 12 -0.984 2.171 -1.800 224 HB VAL 12 HB VAL 12 0.322 3.953 -3.528 225 1HG1 VAL 12 1HG1 VAL 12 -0.791 1.608 -5.093 226 2HG1 VAL 12 2HG1 VAL 12 -0.331 3.165 -5.783 227 3HG1 VAL 12 3HG1 VAL 12 0.895 2.126 -5.057 228 1HG2 VAL 12 1HG2 VAL 12 -2.354 3.099 -2.828 229 2HG2 VAL 12 2HG2 VAL 12 -1.789 4.700 -3.305 230 3HG2 VAL 12 3HG2 VAL 12 -2.272 3.533 -4.535 231 H GLU 13 H GLU 13 1.982 1.040 -3.303 232 HA GLU 13 HA GLU 13 0.911 -1.214 -4.695 233 1HB GLU 13 1HB GLU 13 3.241 -0.386 -4.988 234 2HB GLU 13 2HB GLU 13 3.625 -0.949 -3.361 235 1HG GLU 13 1HG GLU 13 3.455 -3.200 -3.954 236 2HG GLU 13 2HG GLU 13 2.422 -2.860 -5.344 237 H ALA 14 H ALA 14 2.194 -0.878 -1.386 238 HA ALA 14 HA ALA 14 1.797 -3.590 -0.594 239 1HB ALA 14 1HB ALA 14 2.425 -1.059 0.689 240 2HB ALA 14 2HB ALA 14 1.318 -2.012 1.678 241 3HB ALA 14 3HB ALA 14 2.868 -2.693 1.182 242 H LEU 15 H LEU 15 -0.369 -0.824 -0.762 243 HA LEU 15 HA LEU 15 -2.550 -2.141 0.644 244 1HB LEU 15 1HB LEU 15 -2.327 0.371 -1.025 245 2HB LEU 15 2HB LEU 15 -3.875 -0.195 -0.400 246 HG LEU 15 HG LEU 15 -1.630 -0.072 1.541 247 1HD1 LEU 15 1HD1 LEU 15 -1.765 2.079 -0.040 248 2HD1 LEU 15 2HD1 LEU 15 -3.114 2.473 1.027 249 3HD1 LEU 15 3HD1 LEU 15 -1.501 2.232 1.698 250 1HD2 LEU 15 1HD2 LEU 15 -4.590 0.595 1.539 251 2HD2 LEU 15 2HD2 LEU 15 -3.814 -0.802 2.287 252 3HD2 LEU 15 3HD2 LEU 15 -3.545 0.816 2.945 253 H GLU 16 H GLU 16 -1.321 -2.136 -2.588 254 HA GLU 16 HA GLU 16 -3.673 -2.702 -4.067 255 1HB GLU 16 1HB GLU 16 -0.789 -3.511 -4.429 256 2HB GLU 16 2HB GLU 16 -2.040 -4.020 -5.563 257 1HG GLU 16 1HG GLU 16 -2.240 -1.179 -4.945 258 2HG GLU 16 2HG GLU 16 -0.665 -1.592 -5.622 259 H LEU 17 H LEU 17 -1.615 -4.786 -2.090 260 HA LEU 17 HA LEU 17 -2.982 -7.235 -2.860 261 1HB LEU 17 1HB LEU 17 -0.642 -7.161 -1.945 262 2HB LEU 17 2HB LEU 17 -1.317 -6.705 -0.381 263 HG LEU 17 HG LEU 17 -2.486 -9.106 -1.701 264 1HD1 LEU 17 1HD1 LEU 17 0.149 -9.091 -1.849 265 2HD1 LEU 17 2HD1 LEU 17 0.045 -9.439 -0.122 266 3HD1 LEU 17 3HD1 LEU 17 -0.693 -10.536 -1.289 267 1HD2 LEU 17 1HD2 LEU 17 -2.716 -7.863 0.752 268 2HD2 LEU 17 2HD2 LEU 17 -3.179 -9.532 0.422 269 3HD2 LEU 17 3HD2 LEU 17 -1.592 -9.176 1.102 270 H VAL 18 H VAL 18 -3.512 -4.706 -0.534 271 HA VAL 18 HA VAL 18 -5.089 -6.053 1.387 272 HB VAL 18 HB VAL 18 -5.199 -3.223 0.320 273 1HG1 VAL 18 1HG1 VAL 18 -7.125 -4.659 1.975 274 2HG1 VAL 18 2HG1 VAL 18 -6.448 -3.259 2.804 275 3HG1 VAL 18 3HG1 VAL 18 -7.248 -3.058 1.246 276 1HG2 VAL 18 1HG2 VAL 18 -3.208 -3.915 1.623 277 2HG2 VAL 18 2HG2 VAL 18 -4.170 -2.721 2.495 278 3HG2 VAL 18 3HG2 VAL 18 -4.263 -4.424 2.942 279 H CYS 19 H CYS 19 -6.496 -4.005 -1.188 280 HA CYS 19 HA CYS 19 -8.715 -5.999 -1.372 281 1HB CYS 19 1HB CYS 19 -8.867 -3.279 -0.790 282 2HB CYS 19 2HB CYS 19 -9.241 -3.350 -2.509 283 H GLY 20 H GLY 20 -6.836 -3.620 -3.247 284 1HA GLY 20 1HA GLY 20 -6.020 -3.714 -5.436 285 2HA GLY 20 2HA GLY 20 -6.258 -5.457 -5.361 286 H GLU 21 H GLU 21 -8.401 -6.286 -5.909 287 HA GLU 21 HA GLU 21 -9.468 -5.151 -8.275 288 1HB GLU 21 1HB GLU 21 -9.759 -7.541 -7.009 289 2HB GLU 21 2HB GLU 21 -11.329 -6.806 -6.680 290 1HG GLU 21 1HG GLU 21 -10.630 -6.278 -9.409 291 2HG GLU 21 2HG GLU 21 -10.441 -8.004 -9.105 292 H ARG 22 H ARG 22 -11.035 -5.233 -5.040 293 HA ARG 22 HA ARG 22 -13.050 -3.322 -5.932 294 1HB ARG 22 1HB ARG 22 -12.477 -4.054 -3.059 295 2HB ARG 22 2HB ARG 22 -14.007 -3.553 -3.776 296 1HG ARG 22 1HG ARG 22 -12.691 -6.022 -4.834 297 2HG ARG 22 2HG ARG 22 -13.537 -6.110 -3.288 298 1HD ARG 22 1HD ARG 22 -14.951 -4.686 -5.468 299 2HD ARG 22 2HD ARG 22 -14.790 -6.433 -5.662 300 HE ARG 22 HE ARG 22 -15.669 -6.089 -3.043 301 1HH1 ARG 22 1HH1 ARG 22 -16.697 -5.147 -6.203 302 2HH1 ARG 22 2HH1 ARG 22 -18.379 -5.131 -5.792 303 1HH2 ARG 22 1HH2 ARG 22 -17.863 -6.074 -2.497 304 2HH2 ARG 22 2HH2 ARG 22 -19.038 -5.655 -3.698 305 H GLY 23 H GLY 23 -9.930 -3.140 -4.391 306 1HA GLY 23 1HA GLY 23 -8.662 -1.082 -4.366 307 2HA GLY 23 2HA GLY 23 -10.176 -0.180 -4.426 308 H PHE 24 H PHE 24 -8.356 0.598 -2.572 309 HA PHE 24 HA PHE 24 -9.507 -0.435 -0.012 310 1HB PHE 24 1HB PHE 24 -7.137 0.651 0.778 311 2HB PHE 24 2HB PHE 24 -7.342 -1.056 0.399 312 HD1 PHE 24 HD1 PHE 24 -6.802 -1.882 -1.929 313 HD2 PHE 24 HD2 PHE 24 -5.794 2.074 -0.592 314 HE1 PHE 24 HE1 PHE 24 -5.197 -1.660 -3.796 315 HE2 PHE 24 HE2 PHE 24 -4.188 2.295 -2.461 316 HZ PHE 24 HZ PHE 24 -3.885 0.428 -4.066 317 H PHE 25 H PHE 25 -9.073 1.330 1.785 318 HA PHE 25 HA PHE 25 -10.262 3.828 0.761 319 1HB PHE 25 1HB PHE 25 -9.962 2.518 3.412 320 2HB PHE 25 2HB PHE 25 -10.039 4.278 3.389 321 HD1 PHE 25 HD1 PHE 25 -12.022 5.451 2.536 322 HD2 PHE 25 HD2 PHE 25 -11.868 1.166 2.752 323 HE1 PHE 25 HE1 PHE 25 -14.481 5.349 2.237 324 HE2 PHE 25 HE2 PHE 25 -14.330 1.062 2.453 325 HZ PHE 25 HZ PHE 25 -15.636 3.155 2.196 326 H TYR 26 H TYR 26 -8.095 4.286 -0.380 327 HA TYR 26 HA TYR 26 -5.971 5.176 1.473 328 1HB TYR 26 1HB TYR 26 -5.687 3.968 -0.878 329 2HB TYR 26 2HB TYR 26 -5.799 5.623 -1.479 330 HD1 TYR 26 HD1 TYR 26 -4.573 7.053 0.877 331 HD2 TYR 26 HD2 TYR 26 -3.394 3.507 -1.223 332 HE1 TYR 26 HE1 TYR 26 -2.242 7.444 1.558 333 HE2 TYR 26 HE2 TYR 26 -1.040 3.891 -0.547 334 HH TYR 26 HH TYR 26 0.124 6.728 0.511 335 H GLU 27 H GLU 27 -7.778 6.816 2.206 336 HA GLU 27 HA GLU 27 -8.160 9.104 0.435 337 1HB GLU 27 1HB GLU 27 -9.360 8.156 2.804 338 2HB GLU 27 2HB GLU 27 -8.635 9.707 3.225 339 1HG GLU 27 1HG GLU 27 -10.133 9.533 0.647 340 2HG GLU 27 2HG GLU 27 -11.072 9.562 2.141 341 HA PRO 28 HA PRO 28 -5.080 11.031 3.704 342 1HB PRO 28 1HB PRO 28 -3.574 8.783 4.746 343 2HB PRO 28 2HB PRO 28 -4.492 10.006 5.635 344 1HG PRO 28 1HG PRO 28 -5.217 7.294 5.284 345 2HG PRO 28 2HG PRO 28 -6.237 8.580 5.940 346 1HD PRO 28 1HD PRO 28 -6.412 7.266 3.346 347 2HD PRO 28 2HD PRO 28 -7.562 8.380 4.105 348 H LYS 29 H LYS 29 -2.876 11.565 3.285 349 HA LYS 29 HA LYS 29 -1.871 11.228 0.753 350 1HB LYS 29 1HB LYS 29 0.492 11.281 2.068 351 2HB LYS 29 2HB LYS 29 -0.518 12.707 1.855 352 1HG LYS 29 1HG LYS 29 0.249 12.390 4.213 353 2HG LYS 29 2HG LYS 29 -1.503 12.397 4.063 354 1HD LYS 29 1HD LYS 29 -1.550 9.945 4.148 355 2HD LYS 29 2HD LYS 29 0.211 9.894 4.181 356 1HE LYS 29 1HE LYS 29 -0.872 11.642 6.251 357 2HE LYS 29 2HE LYS 29 -1.468 9.989 6.402 358 1HZ LYS 29 1HZ LYS 29 1.367 10.293 5.833 359 2HZ LYS 29 2HZ LYS 29 0.859 10.779 7.379 360 3HZ LYS 29 3HZ LYS 29 0.575 9.191 6.849 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -2.765 5.029 10.242 2 2H GLY 1 2H GLY 1 -2.296 6.484 10.984 3 3H GLY 1 3H GLY 1 -3.518 6.483 9.804 4 1HA GLY 1 1HA GLY 1 -1.641 7.283 8.690 5 2HA GLY 1 2HA GLY 1 -0.615 6.058 9.438 6 H ILE 2 H ILE 2 -0.333 6.038 6.839 7 HA ILE 2 HA ILE 2 -0.902 3.509 5.898 8 HB ILE 2 HB ILE 2 -3.269 3.817 6.002 9 1HG1 ILE 2 1HG1 ILE 2 -2.228 4.256 3.190 10 2HG1 ILE 2 2HG1 ILE 2 -2.678 2.726 3.942 11 1HG2 ILE 2 1HG2 ILE 2 -3.135 6.319 6.190 12 2HG2 ILE 2 2HG2 ILE 2 -2.905 6.389 4.444 13 3HG2 ILE 2 3HG2 ILE 2 -4.412 5.760 5.111 14 1HD1 ILE 2 1HD1 ILE 2 -5.023 3.824 4.227 15 2HD1 ILE 2 2HD1 ILE 2 -4.463 4.961 3.000 16 3HD1 ILE 2 3HD1 ILE 2 -4.558 3.239 2.629 17 H GLY 3 H GLY 3 -0.378 6.858 5.227 18 1HA GLY 3 1HA GLY 3 0.092 6.754 2.429 19 2HA GLY 3 2HA GLY 3 0.889 7.881 3.532 20 H GLU 4 H GLU 4 2.752 7.369 1.951 21 HA GLU 4 HA GLU 4 3.974 4.737 2.181 22 1HB GLU 4 1HB GLU 4 5.156 7.348 1.183 23 2HB GLU 4 2HB GLU 4 5.864 5.745 0.966 24 1HG GLU 4 1HG GLU 4 4.524 5.303 -0.791 25 2HG GLU 4 2HG GLU 4 3.087 5.792 0.107 26 H GLN 5 H GLN 5 3.620 7.092 4.432 27 HA GLN 5 HA GLN 5 6.033 7.720 5.599 28 1HB GLN 5 1HB GLN 5 4.925 7.736 7.735 29 2HB GLN 5 2HB GLN 5 3.715 8.188 6.534 30 1HG GLN 5 1HG GLN 5 2.506 6.563 7.621 31 2HG GLN 5 2HG GLN 5 3.367 5.522 6.487 32 1HE2 GLN 5 2HE2 GLN 5 4.481 7.141 9.514 33 2HE2 GLN 5 1HE2 GLN 5 5.011 5.708 10.257 34 H CYS 6 H CYS 6 4.547 4.544 5.386 35 HA CYS 6 HA CYS 6 6.194 3.180 7.287 36 1HB CYS 6 1HB CYS 6 4.244 2.064 6.434 37 2HB CYS 6 2HB CYS 6 4.786 2.258 4.768 38 H CYS 7 H CYS 7 8.349 4.076 6.926 39 HA CYS 7 HA CYS 7 9.686 2.884 4.531 40 1HB CYS 7 1HB CYS 7 9.338 5.561 4.846 41 2HB CYS 7 2HB CYS 7 10.874 5.344 5.684 42 H THR 8 H THR 8 9.615 3.240 7.937 43 HA THR 8 HA THR 8 12.457 2.436 8.227 44 HB THR 8 HB THR 8 11.451 2.489 10.767 45 HG1 THR 8 HG1 THR 8 9.454 3.198 10.312 46 1HG2 THR 8 1HG2 THR 8 12.541 4.712 9.035 47 2HG2 THR 8 2HG2 THR 8 12.288 4.900 10.769 48 3HG2 THR 8 3HG2 THR 8 13.425 3.692 10.170 49 H SER 9 H SER 9 9.779 0.844 7.440 50 HA SER 9 HA SER 9 10.729 -1.661 8.643 51 1HB SER 9 1HB SER 9 7.926 -1.689 9.118 52 2HB SER 9 2HB SER 9 9.222 -1.756 10.311 53 HG SER 9 HG SER 9 7.508 0.163 9.990 54 H ILE 10 H ILE 10 9.236 -3.515 7.813 55 HA ILE 10 HA ILE 10 8.581 -2.888 4.975 56 HB ILE 10 HB ILE 10 10.264 -4.689 5.477 57 1HG1 ILE 10 1HG1 ILE 10 7.731 -5.768 4.212 58 2HG1 ILE 10 2HG1 ILE 10 8.793 -4.611 3.406 59 1HG2 ILE 10 1HG2 ILE 10 8.357 -5.427 7.391 60 2HG2 ILE 10 2HG2 ILE 10 8.266 -6.689 6.161 61 3HG2 ILE 10 3HG2 ILE 10 9.803 -6.334 6.949 62 1HD1 ILE 10 1HD1 ILE 10 9.684 -7.307 4.469 63 2HD1 ILE 10 2HD1 ILE 10 9.300 -6.974 2.780 64 3HD1 ILE 10 3HD1 ILE 10 10.665 -6.166 3.549 65 H CYS 11 H CYS 11 6.560 -1.929 6.232 66 HA CYS 11 HA CYS 11 4.558 -3.375 7.450 67 1HB CYS 11 1HB CYS 11 2.956 -1.942 5.911 68 2HB CYS 11 2HB CYS 11 3.971 -1.149 7.115 69 H SER 12 H SER 12 4.156 -5.485 6.885 70 HA SER 12 HA SER 12 4.191 -6.552 4.256 71 1HB SER 12 1HB SER 12 2.922 -7.397 6.844 72 2HB SER 12 2HB SER 12 2.534 -8.271 5.365 73 HG SER 12 HG SER 12 4.842 -8.224 6.848 74 H LEU 13 H LEU 13 1.745 -7.755 3.774 75 HA LEU 13 HA LEU 13 0.092 -5.386 3.043 76 1HB LEU 13 1HB LEU 13 0.338 -8.199 1.976 77 2HB LEU 13 2HB LEU 13 -1.071 -7.211 1.595 78 HG LEU 13 HG LEU 13 0.803 -7.066 -0.099 79 1HD1 LEU 13 1HD1 LEU 13 -0.831 -5.047 1.018 80 2HD1 LEU 13 2HD1 LEU 13 0.755 -4.313 0.772 81 3HD1 LEU 13 3HD1 LEU 13 -0.092 -5.058 -0.584 82 1HD2 LEU 13 1HD2 LEU 13 2.523 -7.060 1.875 83 2HD2 LEU 13 2HD2 LEU 13 2.853 -6.067 0.456 84 3HD2 LEU 13 3HD2 LEU 13 2.204 -5.327 1.920 85 H TYR 14 H TYR 14 -0.201 -8.637 4.480 86 HA TYR 14 HA TYR 14 -2.875 -8.880 5.014 87 1HB TYR 14 1HB TYR 14 -0.435 -9.667 6.438 88 2HB TYR 14 2HB TYR 14 -1.859 -9.545 7.469 89 HD1 TYR 14 HD1 TYR 14 -0.719 -10.978 4.199 90 HD2 TYR 14 HD2 TYR 14 -3.427 -11.285 7.519 91 HE1 TYR 14 HE1 TYR 14 -1.548 -13.139 3.324 92 HE2 TYR 14 HE2 TYR 14 -4.257 -13.445 6.643 93 HH TYR 14 HH TYR 14 -2.836 -14.913 3.726 94 H GLN 15 H GLN 15 -0.660 -6.655 6.661 95 HA GLN 15 HA GLN 15 -2.563 -5.777 8.634 96 1HB GLN 15 1HB GLN 15 0.116 -4.987 7.656 97 2HB GLN 15 2HB GLN 15 -0.842 -3.689 8.357 98 1HG GLN 15 1HG GLN 15 -1.301 -5.341 10.296 99 2HG GLN 15 2HG GLN 15 0.060 -6.257 9.643 100 1HE2 GLN 15 2HE2 GLN 15 1.946 -5.733 10.751 101 2HE2 GLN 15 1HE2 GLN 15 2.357 -4.182 11.302 102 H LEU 16 H LEU 16 -1.457 -4.396 5.536 103 HA LEU 16 HA LEU 16 -3.264 -2.150 5.609 104 1HB LEU 16 1HB LEU 16 -1.438 -3.415 3.628 105 2HB LEU 16 2HB LEU 16 -2.733 -2.419 2.975 106 HG LEU 16 HG LEU 16 -1.853 -0.472 3.821 107 1HD1 LEU 16 1HD1 LEU 16 -1.133 -2.192 6.147 108 2HD1 LEU 16 2HD1 LEU 16 -0.137 -0.763 5.883 109 3HD1 LEU 16 3HD1 LEU 16 -1.876 -0.593 6.120 110 1HD2 LEU 16 1HD2 LEU 16 0.167 -2.404 3.051 111 2HD2 LEU 16 2HD2 LEU 16 0.096 -0.672 2.711 112 3HD2 LEU 16 3HD2 LEU 16 0.827 -1.248 4.210 113 H GLU 17 H GLU 17 -3.867 -5.432 5.159 114 HA GLU 17 HA GLU 17 -5.781 -5.435 3.057 115 1HB GLU 17 1HB GLU 17 -5.161 -7.195 5.359 116 2HB GLU 17 2HB GLU 17 -6.748 -7.380 4.616 117 1HG GLU 17 1HG GLU 17 -5.496 -7.432 2.368 118 2HG GLU 17 2HG GLU 17 -4.038 -7.692 3.327 119 H ASN 18 H ASN 18 -6.063 -4.440 6.413 120 HA ASN 18 HA ASN 18 -8.921 -4.487 6.574 121 1HB ASN 18 1HB ASN 18 -7.117 -4.137 8.431 122 2HB ASN 18 2HB ASN 18 -7.274 -2.432 8.009 123 1HD2 ASN 18 2HD2 ASN 18 -8.855 -1.365 9.203 124 2HD2 ASN 18 1HD2 ASN 18 -10.233 -2.094 9.872 125 H TYR 19 H TYR 19 -6.723 -2.318 4.997 126 HA TYR 19 HA TYR 19 -8.480 -0.023 4.919 127 1HB TYR 19 1HB TYR 19 -6.032 -0.843 3.357 128 2HB TYR 19 2HB TYR 19 -6.935 0.620 2.951 129 HD1 TYR 19 HD1 TYR 19 -7.150 2.466 4.587 130 HD2 TYR 19 HD2 TYR 19 -4.737 -0.994 5.387 131 HE1 TYR 19 HE1 TYR 19 -6.056 3.662 6.456 132 HE2 TYR 19 HE2 TYR 19 -3.641 0.200 7.256 133 HH TYR 19 HH TYR 19 -4.673 2.488 8.823 134 H CYS 20 H CYS 20 -8.610 -3.022 3.324 135 HA CYS 20 HA CYS 20 -9.492 -2.380 0.740 136 1HB CYS 20 1HB CYS 20 -9.401 -4.651 0.953 137 2HB CYS 20 2HB CYS 20 -9.945 -4.634 2.624 138 H ASN 21 H ASN 21 -11.789 -2.385 -0.044 139 HA ASN 21 HA ASN 21 -13.333 -0.430 1.529 140 1HB ASN 21 1HB ASN 21 -13.547 -1.563 -1.256 141 2HB ASN 21 2HB ASN 21 -14.879 -0.643 -0.553 142 1HD2 ASN 21 2HD2 ASN 21 -12.489 -0.145 -2.643 143 2HD2 ASN 21 1HD2 ASN 21 -12.010 1.434 -2.241 144 1H GLU 1 1H GLU 1 17.465 -9.561 -4.118 145 2H GLU 1 2H GLU 1 16.576 -8.258 -4.746 146 3H GLU 1 3H GLU 1 18.254 -8.117 -4.525 147 HA GLU 1 HA GLU 1 18.103 -7.902 -2.258 148 1HB GLU 1 1HB GLU 1 15.380 -6.801 -2.657 149 2HB GLU 1 2HB GLU 1 16.828 -6.019 -2.026 150 1HG GLU 1 1HG GLU 1 16.797 -4.918 -4.023 151 2HG GLU 1 2HG GLU 1 17.554 -6.391 -4.628 152 H VAL 2 H VAL 2 16.163 -7.801 -0.415 153 HA VAL 2 HA VAL 2 14.467 -10.215 -0.656 154 HB VAL 2 HB VAL 2 16.121 -9.960 1.830 155 1HG1 VAL 2 1HG1 VAL 2 14.145 -11.617 1.247 156 2HG1 VAL 2 2HG1 VAL 2 15.411 -12.490 0.383 157 3HG1 VAL 2 3HG1 VAL 2 15.564 -12.201 2.117 158 1HG2 VAL 2 1HG2 VAL 2 17.060 -10.918 -0.870 159 2HG2 VAL 2 2HG2 VAL 2 17.911 -9.910 0.302 160 3HG2 VAL 2 3HG2 VAL 2 17.705 -11.636 0.606 161 H ASN 3 H ASN 3 14.242 -7.190 -0.302 162 HA ASN 3 HA ASN 3 12.010 -7.245 1.532 163 1HB ASN 3 1HB ASN 3 12.948 -5.695 3.224 164 2HB ASN 3 2HB ASN 3 13.820 -7.229 3.202 165 1HD2 ASN 3 1HD2 ASN 3 16.002 -7.244 2.291 166 2HD2 ASN 3 2HD2 ASN 3 16.854 -5.800 2.020 167 H GLN 4 H GLN 4 10.632 -5.732 0.737 168 HA GLN 4 HA GLN 4 11.821 -3.372 -0.668 169 1HB GLN 4 1HB GLN 4 9.217 -4.798 -1.302 170 2HB GLN 4 2HB GLN 4 9.873 -3.407 -2.166 171 1HG GLN 4 1HG GLN 4 11.169 -4.743 -3.428 172 2HG GLN 4 2HG GLN 4 11.883 -5.467 -1.987 173 1HE2 GLN 4 2HE2 GLN 4 10.004 -6.192 -4.695 174 2HE2 GLN 4 1HE2 GLN 4 9.288 -7.626 -4.135 175 H HIS 5 H HIS 5 11.643 -1.892 1.030 176 HA HIS 5 HA HIS 5 9.357 -1.721 2.769 177 1HB HIS 5 1HB HIS 5 11.594 0.194 2.094 178 2HB HIS 5 2HB HIS 5 10.311 0.618 3.228 179 HD1 HIS 5 HD1 HIS 5 11.611 0.498 5.406 180 HD2 HIS 5 HD2 HIS 5 12.020 -2.959 3.111 181 HE1 HIS 5 HE1 HIS 5 12.805 -1.193 6.865 182 H LEU 6 H LEU 6 7.970 0.341 2.832 183 HA LEU 6 HA LEU 6 7.047 0.911 0.055 184 1HB LEU 6 1HB LEU 6 5.660 0.951 2.736 185 2HB LEU 6 2HB LEU 6 4.956 1.728 1.319 186 HG LEU 6 HG LEU 6 4.831 -0.337 0.126 187 1HD1 LEU 6 1HD1 LEU 6 6.644 -1.355 2.318 188 2HD1 LEU 6 2HD1 LEU 6 5.730 -2.455 1.287 189 3HD1 LEU 6 3HD1 LEU 6 6.921 -1.368 0.577 190 1HD2 LEU 6 1HD2 LEU 6 3.683 -0.049 2.746 191 2HD2 LEU 6 2HD2 LEU 6 3.004 -0.861 1.335 192 3HD2 LEU 6 3HD2 LEU 6 4.030 -1.754 2.458 193 H CYS 7 H CYS 7 8.070 2.757 -0.635 194 HA CYS 7 HA CYS 7 7.657 5.192 1.006 195 1HB CYS 7 1HB CYS 7 10.141 3.851 0.848 196 2HB CYS 7 2HB CYS 7 10.279 5.265 -0.196 197 H GLY 8 H GLY 8 8.951 7.020 -0.577 198 1HA GLY 8 1HA GLY 8 8.550 8.276 -2.524 199 2HA GLY 8 2HA GLY 8 8.853 6.754 -3.364 200 H SER 9 H SER 9 7.057 5.451 -3.978 201 HA SER 9 HA SER 9 4.340 6.382 -3.336 202 1HB SER 9 1HB SER 9 3.679 6.859 -5.587 203 2HB SER 9 2HB SER 9 5.172 7.754 -5.319 204 HG SER 9 HG SER 9 4.860 6.301 -7.295 205 H GLU 10 H GLU 10 5.560 3.977 -2.652 206 HA GLU 10 HA GLU 10 4.387 2.027 -4.577 207 1HB GLU 10 1HB GLU 10 6.267 0.815 -4.307 208 2HB GLU 10 2HB GLU 10 6.927 2.146 -3.359 209 1HG GLU 10 1HG GLU 10 5.872 1.191 -1.335 210 2HG GLU 10 2HG GLU 10 5.309 -0.174 -2.296 211 H LEU 11 H LEU 11 3.617 3.611 -1.795 212 HA LEU 11 HA LEU 11 2.619 1.438 -0.167 213 1HB LEU 11 1HB LEU 11 3.142 3.892 0.506 214 2HB LEU 11 2HB LEU 11 1.535 4.249 -0.124 215 HG LEU 11 HG LEU 11 1.418 3.809 2.283 216 1HD1 LEU 11 1HD1 LEU 11 -0.291 2.858 0.491 217 2HD1 LEU 11 2HD1 LEU 11 0.300 1.306 1.082 218 3HD1 LEU 11 3HD1 LEU 11 -0.455 2.446 2.198 219 1HD2 LEU 11 1HD2 LEU 11 3.465 2.312 2.282 220 2HD2 LEU 11 2HD2 LEU 11 2.113 1.717 3.245 221 3HD2 LEU 11 3HD2 LEU 11 2.432 1.027 1.653 222 H VAL 12 H VAL 12 1.101 3.688 -2.491 223 HA VAL 12 HA VAL 12 -1.559 2.783 -2.234 224 HB VAL 12 HB VAL 12 -0.151 4.525 -3.928 225 1HG1 VAL 12 1HG1 VAL 12 0.090 2.672 -5.568 226 2HG1 VAL 12 2HG1 VAL 12 -1.664 2.486 -5.587 227 3HG1 VAL 12 3HG1 VAL 12 -0.928 3.975 -6.182 228 1HG2 VAL 12 1HG2 VAL 12 -2.829 3.981 -3.056 229 2HG2 VAL 12 2HG2 VAL 12 -2.146 5.506 -3.618 230 3HG2 VAL 12 3HG2 VAL 12 -2.860 4.381 -4.773 231 H GLU 13 H GLU 13 1.148 1.467 -4.078 232 HA GLU 13 HA GLU 13 -0.290 -0.597 -5.442 233 1HB GLU 13 1HB GLU 13 2.109 0.130 -5.874 234 2HB GLU 13 2HB GLU 13 2.557 -0.779 -4.429 235 1HG GLU 13 1HG GLU 13 0.877 -2.435 -6.057 236 2HG GLU 13 2HG GLU 13 2.163 -1.777 -7.069 237 H ALA 14 H ALA 14 1.335 -0.498 -2.286 238 HA ALA 14 HA ALA 14 0.958 -3.205 -1.540 239 1HB ALA 14 1HB ALA 14 1.903 -0.871 -0.304 240 2HB ALA 14 2HB ALA 14 0.554 -1.401 0.700 241 3HB ALA 14 3HB ALA 14 1.901 -2.495 0.383 242 H LEU 15 H LEU 15 -1.223 -0.430 -1.376 243 HA LEU 15 HA LEU 15 -3.299 -1.826 0.083 244 1HB LEU 15 1HB LEU 15 -3.190 0.730 -1.513 245 2HB LEU 15 2HB LEU 15 -4.714 0.120 -0.871 246 HG LEU 15 HG LEU 15 -2.387 0.240 0.988 247 1HD1 LEU 15 1HD1 LEU 15 -2.720 2.451 -0.455 248 2HD1 LEU 15 2HD1 LEU 15 -4.061 2.700 0.663 249 3HD1 LEU 15 3HD1 LEU 15 -2.416 2.538 1.280 250 1HD2 LEU 15 1HD2 LEU 15 -4.921 -0.539 1.320 251 2HD2 LEU 15 2HD2 LEU 15 -4.046 0.303 2.605 252 3HD2 LEU 15 3HD2 LEU 15 -5.163 1.192 1.571 253 H GLU 16 H GLU 16 -2.364 -1.636 -3.264 254 HA GLU 16 HA GLU 16 -4.822 -2.306 -4.519 255 1HB GLU 16 1HB GLU 16 -1.950 -2.901 -5.241 256 2HB GLU 16 2HB GLU 16 -3.297 -3.378 -6.273 257 1HG GLU 16 1HG GLU 16 -3.871 -0.731 -5.671 258 2HG GLU 16 2HG GLU 16 -2.118 -0.730 -5.869 259 H LEU 17 H LEU 17 -2.386 -4.336 -2.940 260 HA LEU 17 HA LEU 17 -3.672 -6.831 -3.714 261 1HB LEU 17 1HB LEU 17 -1.302 -6.858 -3.193 262 2HB LEU 17 2HB LEU 17 -1.607 -6.183 -1.591 263 HG LEU 17 HG LEU 17 -3.061 -8.237 -1.150 264 1HD1 LEU 17 1HD1 LEU 17 -2.530 -8.659 -3.887 265 2HD1 LEU 17 2HD1 LEU 17 -1.613 -9.897 -3.027 266 3HD1 LEU 17 3HD1 LEU 17 -3.355 -9.760 -2.783 267 1HD2 LEU 17 1HD2 LEU 17 -0.092 -8.589 -1.673 268 2HD2 LEU 17 2HD2 LEU 17 -0.826 -8.011 -0.177 269 3HD2 LEU 17 3HD2 LEU 17 -1.075 -9.678 -0.695 270 H VAL 18 H VAL 18 -4.077 -4.511 -1.161 271 HA VAL 18 HA VAL 18 -5.184 -6.028 0.902 272 HB VAL 18 HB VAL 18 -6.002 -3.302 -0.137 273 1HG1 VAL 18 1HG1 VAL 18 -7.194 -5.022 1.925 274 2HG1 VAL 18 2HG1 VAL 18 -6.709 -3.438 2.535 275 3HG1 VAL 18 3HG1 VAL 18 -7.831 -3.556 1.179 276 1HG2 VAL 18 1HG2 VAL 18 -4.317 -4.220 2.212 277 2HG2 VAL 18 2HG2 VAL 18 -3.698 -3.524 0.716 278 3HG2 VAL 18 3HG2 VAL 18 -4.678 -2.542 1.806 279 H CYS 19 H CYS 19 -7.379 -4.285 -1.316 280 HA CYS 19 HA CYS 19 -9.178 -6.661 -1.145 281 1HB CYS 19 1HB CYS 19 -9.719 -3.959 -0.739 282 2HB CYS 19 2HB CYS 19 -10.323 -4.264 -2.368 283 H GLY 20 H GLY 20 -8.057 -4.188 -3.473 284 1HA GLY 20 1HA GLY 20 -7.384 -4.513 -5.716 285 2HA GLY 20 2HA GLY 20 -7.681 -6.238 -5.518 286 H GLU 21 H GLU 21 -10.094 -6.831 -5.394 287 HA GLU 21 HA GLU 21 -11.400 -5.984 -7.764 288 1HB GLU 21 1HB GLU 21 -11.793 -8.094 -6.288 289 2HB GLU 21 2HB GLU 21 -12.924 -7.070 -5.404 290 1HG GLU 21 1HG GLU 21 -14.418 -6.991 -7.137 291 2HG GLU 21 2HG GLU 21 -13.151 -7.003 -8.364 292 H ARG 22 H ARG 22 -12.793 -5.447 -4.511 293 HA ARG 22 HA ARG 22 -14.378 -3.229 -5.436 294 1HB ARG 22 1HB ARG 22 -14.268 -4.798 -3.127 295 2HB ARG 22 2HB ARG 22 -13.829 -3.180 -2.574 296 1HG ARG 22 1HG ARG 22 -15.930 -2.401 -2.876 297 2HG ARG 22 2HG ARG 22 -16.055 -3.145 -4.471 298 1HD ARG 22 1HD ARG 22 -16.191 -4.853 -1.999 299 2HD ARG 22 2HD ARG 22 -17.625 -3.993 -2.561 300 HE ARG 22 HE ARG 22 -16.705 -5.275 -4.831 301 1HH1 ARG 22 1HH1 ARG 22 -17.469 -6.196 -1.592 302 2HH1 ARG 22 2HH1 ARG 22 -17.980 -7.791 -2.028 303 1HH2 ARG 22 1HH2 ARG 22 -17.369 -7.353 -5.414 304 2HH2 ARG 22 2HH2 ARG 22 -17.922 -8.447 -4.189 305 H GLY 23 H GLY 23 -11.134 -3.506 -4.178 306 1HA GLY 23 1HA GLY 23 -9.484 -1.767 -4.527 307 2HA GLY 23 2HA GLY 23 -10.794 -0.589 -4.618 308 H PHE 24 H PHE 24 -9.260 0.501 -3.015 309 HA PHE 24 HA PHE 24 -10.103 -0.279 -0.262 310 1HB PHE 24 1HB PHE 24 -7.737 0.520 0.434 311 2HB PHE 24 2HB PHE 24 -7.876 -1.084 -0.281 312 HD1 PHE 24 HD1 PHE 24 -7.339 -1.413 -2.720 313 HD2 PHE 24 HD2 PHE 24 -6.547 2.277 -0.669 314 HE1 PHE 24 HE1 PHE 24 -5.808 -0.729 -4.538 315 HE2 PHE 24 HE2 PHE 24 -5.016 2.960 -2.487 316 HZ PHE 24 HZ PHE 24 -4.642 1.457 -4.426 317 H PHE 25 H PHE 25 -8.974 1.723 1.163 318 HA PHE 25 HA PHE 25 -9.964 4.199 -0.182 319 1HB PHE 25 1HB PHE 25 -11.320 4.623 1.581 320 2HB PHE 25 2HB PHE 25 -10.998 2.978 2.114 321 HD1 PHE 25 HD1 PHE 25 -10.124 6.535 2.558 322 HD2 PHE 25 HD2 PHE 25 -9.448 2.523 3.937 323 HE1 PHE 25 HE1 PHE 25 -8.995 7.420 4.581 324 HE2 PHE 25 HE2 PHE 25 -8.319 3.409 5.960 325 HZ PHE 25 HZ PHE 25 -8.092 5.857 6.281 326 H TYR 26 H TYR 26 -8.157 5.329 -0.736 327 HA TYR 26 HA TYR 26 -5.786 5.169 1.035 328 1HB TYR 26 1HB TYR 26 -5.806 4.970 -1.595 329 2HB TYR 26 2HB TYR 26 -5.821 6.734 -1.523 330 HD1 TYR 26 HD1 TYR 26 -4.060 7.896 -0.070 331 HD2 TYR 26 HD2 TYR 26 -3.796 3.771 -1.235 332 HE1 TYR 26 HE1 TYR 26 -1.648 7.900 0.462 333 HE2 TYR 26 HE2 TYR 26 -1.384 3.776 -0.700 334 HH TYR 26 HH TYR 26 0.400 6.570 -0.268 335 H GLU 27 H GLU 27 -5.289 6.786 2.408 336 HA GLU 27 HA GLU 27 -5.605 9.564 1.886 337 1HB GLU 27 1HB GLU 27 -7.968 8.175 2.960 338 2HB GLU 27 2HB GLU 27 -7.464 9.563 3.926 339 1HG GLU 27 1HG GLU 27 -8.079 11.047 2.324 340 2HG GLU 27 2HG GLU 27 -7.414 10.054 1.025 341 HA PRO 28 HA PRO 28 -2.854 8.137 5.339 342 1HB PRO 28 1HB PRO 28 -0.994 10.132 4.446 343 2HB PRO 28 2HB PRO 28 -0.829 8.373 4.360 344 1HG PRO 28 1HG PRO 28 -1.343 10.209 2.199 345 2HG PRO 28 2HG PRO 28 -1.131 8.456 2.120 346 1HD PRO 28 1HD PRO 28 -3.566 9.934 1.791 347 2HD PRO 28 2HD PRO 28 -3.358 8.175 1.781 348 H LYS 29 H LYS 29 -3.358 9.092 7.271 349 HA LYS 29 HA LYS 29 -4.067 11.972 7.300 350 1HB LYS 29 1HB LYS 29 -4.693 11.388 9.731 351 2HB LYS 29 2HB LYS 29 -5.671 10.657 8.458 352 1HG LYS 29 1HG LYS 29 -3.285 9.088 9.169 353 2HG LYS 29 2HG LYS 29 -4.445 9.258 10.486 354 1HD LYS 29 1HD LYS 29 -5.676 8.677 7.875 355 2HD LYS 29 2HD LYS 29 -4.633 7.390 8.482 356 1HE LYS 29 1HE LYS 29 -7.007 7.169 9.247 357 2HE LYS 29 2HE LYS 29 -5.863 7.318 10.580 358 1HZ LYS 29 1HZ LYS 29 -7.250 9.663 9.425 359 2HZ LYS 29 2HZ LYS 29 -7.926 8.747 10.686 360 3HZ LYS 29 3HZ LYS 29 -6.444 9.547 10.913 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -0.497 6.160 9.501 2 2H GLY 1 2H GLY 1 -1.527 5.229 10.481 3 3H GLY 1 3H GLY 1 0.153 5.180 10.725 4 1HA GLY 1 1HA GLY 1 0.519 3.747 9.051 5 2HA GLY 1 2HA GLY 1 -1.175 3.343 9.337 6 H ILE 2 H ILE 2 -0.286 2.903 6.819 7 HA ILE 2 HA ILE 2 -0.872 3.367 4.602 8 HB ILE 2 HB ILE 2 -2.868 4.643 6.207 9 1HG1 ILE 2 1HG1 ILE 2 -4.013 4.400 3.781 10 2HG1 ILE 2 2HG1 ILE 2 -2.589 3.394 3.521 11 1HG2 ILE 2 1HG2 ILE 2 -1.843 6.772 5.292 12 2HG2 ILE 2 2HG2 ILE 2 -2.281 6.205 3.680 13 3HG2 ILE 2 3HG2 ILE 2 -3.539 6.528 4.873 14 1HD1 ILE 2 1HD1 ILE 2 -3.216 2.341 5.827 15 2HD1 ILE 2 2HD1 ILE 2 -4.805 3.043 5.524 16 3HD1 ILE 2 3HD1 ILE 2 -4.133 1.864 4.397 17 H GLY 3 H GLY 3 -0.750 5.376 2.987 18 1HA GLY 3 1HA GLY 3 0.578 7.126 2.137 19 2HA GLY 3 2HA GLY 3 0.884 7.614 3.809 20 H GLU 4 H GLU 4 3.023 7.505 4.308 21 HA GLU 4 HA GLU 4 4.553 5.165 3.265 22 1HB GLU 4 1HB GLU 4 5.752 7.932 3.504 23 2HB GLU 4 2HB GLU 4 6.435 6.517 2.702 24 1HG GLU 4 1HG GLU 4 5.428 7.096 0.781 25 2HG GLU 4 2HG GLU 4 3.854 7.029 1.574 26 H GLN 5 H GLN 5 3.302 6.369 5.915 27 HA GLN 5 HA GLN 5 5.362 6.836 7.781 28 1HB GLN 5 1HB GLN 5 2.550 6.019 7.872 29 2HB GLN 5 2HB GLN 5 3.498 5.350 9.201 30 1HG GLN 5 1HG GLN 5 3.919 8.226 8.525 31 2HG GLN 5 2HG GLN 5 2.420 7.792 9.349 32 1HE2 GLN 5 2HE2 GLN 5 5.981 7.299 9.619 33 2HE2 GLN 5 1HE2 GLN 5 5.993 7.234 11.316 34 H CYS 6 H CYS 6 4.402 3.903 6.186 35 HA CYS 6 HA CYS 6 5.844 2.171 8.076 36 1HB CYS 6 1HB CYS 6 4.432 1.679 5.444 37 2HB CYS 6 2HB CYS 6 5.317 0.414 6.297 38 H CYS 7 H CYS 7 7.782 3.769 7.535 39 HA CYS 7 HA CYS 7 9.224 2.797 5.112 40 1HB CYS 7 1HB CYS 7 9.426 5.279 6.803 41 2HB CYS 7 2HB CYS 7 10.793 4.770 5.813 42 H THR 8 H THR 8 11.838 3.227 5.866 43 HA THR 8 HA THR 8 13.562 1.953 6.857 44 HB THR 8 HB THR 8 13.698 2.252 9.248 45 HG1 THR 8 HG1 THR 8 11.042 3.139 9.343 46 1HG2 THR 8 1HG2 THR 8 12.521 4.450 7.612 47 2HG2 THR 8 2HG2 THR 8 12.641 4.708 9.353 48 3HG2 THR 8 3HG2 THR 8 14.091 4.361 8.412 49 H SER 9 H SER 9 11.081 0.491 6.009 50 HA SER 9 HA SER 9 11.712 -2.116 6.725 51 1HB SER 9 1HB SER 9 9.574 -2.244 8.433 52 2HB SER 9 2HB SER 9 11.254 -2.149 8.955 53 HG SER 9 HG SER 9 9.592 -0.523 9.739 54 H ILE 10 H ILE 10 9.242 -3.367 6.976 55 HA ILE 10 HA ILE 10 7.601 -2.196 4.773 56 HB ILE 10 HB ILE 10 8.394 -5.113 5.036 57 1HG1 ILE 10 1HG1 ILE 10 9.149 -3.125 2.879 58 2HG1 ILE 10 2HG1 ILE 10 10.194 -3.505 4.248 59 1HG2 ILE 10 1HG2 ILE 10 6.666 -3.593 3.070 60 2HG2 ILE 10 2HG2 ILE 10 7.310 -5.200 2.736 61 3HG2 ILE 10 3HG2 ILE 10 6.196 -4.959 4.081 62 1HD1 ILE 10 1HD1 ILE 10 9.223 -5.945 3.044 63 2HD1 ILE 10 2HD1 ILE 10 9.986 -4.929 1.820 64 3HD1 ILE 10 3HD1 ILE 10 10.889 -5.403 3.258 65 H CYS 11 H CYS 11 5.525 -2.001 5.449 66 HA CYS 11 HA CYS 11 4.647 -3.214 7.943 67 1HB CYS 11 1HB CYS 11 3.515 -1.338 5.929 68 2HB CYS 11 2HB CYS 11 2.355 -2.261 6.887 69 H SER 12 H SER 12 3.595 -5.140 8.178 70 HA SER 12 HA SER 12 3.428 -7.095 6.196 71 1HB SER 12 1HB SER 12 1.341 -6.835 8.368 72 2HB SER 12 2HB SER 12 1.984 -8.309 7.649 73 HG SER 12 HG SER 12 2.875 -6.955 9.763 74 H LEU 13 H LEU 13 2.357 -7.026 4.287 75 HA LEU 13 HA LEU 13 0.384 -5.121 3.591 76 1HB LEU 13 1HB LEU 13 1.234 -7.754 2.435 77 2HB LEU 13 2HB LEU 13 -0.183 -6.927 1.784 78 HG LEU 13 HG LEU 13 1.628 -4.870 2.011 79 1HD1 LEU 13 1HD1 LEU 13 3.382 -6.565 2.573 80 2HD1 LEU 13 2HD1 LEU 13 3.133 -7.291 0.986 81 3HD1 LEU 13 3HD1 LEU 13 3.742 -5.640 1.116 82 1HD2 LEU 13 1HD2 LEU 13 1.127 -6.707 -0.348 83 2HD2 LEU 13 2HD2 LEU 13 0.160 -5.308 0.110 84 3HD2 LEU 13 3HD2 LEU 13 1.814 -5.087 -0.455 85 H TYR 14 H TYR 14 0.016 -8.479 4.722 86 HA TYR 14 HA TYR 14 -2.757 -8.782 4.484 87 1HB TYR 14 1HB TYR 14 -0.861 -9.727 6.643 88 2HB TYR 14 2HB TYR 14 -2.553 -10.221 6.574 89 HD1 TYR 14 HD1 TYR 14 -3.407 -11.469 4.569 90 HD2 TYR 14 HD2 TYR 14 0.766 -10.641 5.148 91 HE1 TYR 14 HE1 TYR 14 -2.833 -13.200 2.898 92 HE2 TYR 14 HE2 TYR 14 1.342 -12.371 3.477 93 HH TYR 14 HH TYR 14 -0.684 -13.558 1.286 94 H GLN 15 H GLN 15 -0.938 -7.071 7.013 95 HA GLN 15 HA GLN 15 -3.168 -6.537 8.717 96 1HB GLN 15 1HB GLN 15 -0.386 -5.591 8.394 97 2HB GLN 15 2HB GLN 15 -1.483 -4.443 9.151 98 1HG GLN 15 1HG GLN 15 -1.362 -7.323 10.035 99 2HG GLN 15 2HG GLN 15 -0.278 -6.104 10.708 100 1HE2 GLN 15 2HE2 GLN 15 -1.092 -4.903 12.438 101 2HE2 GLN 15 1HE2 GLN 15 -2.732 -4.812 12.866 102 H LEU 16 H LEU 16 -1.823 -4.836 5.918 103 HA LEU 16 HA LEU 16 -3.462 -2.475 6.207 104 1HB LEU 16 1HB LEU 16 -1.549 -3.561 4.274 105 2HB LEU 16 2HB LEU 16 -2.879 -2.706 3.498 106 HG LEU 16 HG LEU 16 -2.401 -0.688 4.631 107 1HD1 LEU 16 1HD1 LEU 16 -1.308 -2.516 6.641 108 2HD1 LEU 16 2HD1 LEU 16 -0.266 -1.120 6.365 109 3HD1 LEU 16 3HD1 LEU 16 -1.948 -0.885 6.842 110 1HD2 LEU 16 1HD2 LEU 16 -0.033 -2.198 3.625 111 2HD2 LEU 16 2HD2 LEU 16 -0.730 -0.686 3.045 112 3HD2 LEU 16 3HD2 LEU 16 0.286 -0.692 4.487 113 H GLU 17 H GLU 17 -4.302 -5.635 5.494 114 HA GLU 17 HA GLU 17 -6.171 -5.352 3.370 115 1HB GLU 17 1HB GLU 17 -5.862 -7.290 5.634 116 2HB GLU 17 2HB GLU 17 -7.297 -7.356 4.613 117 1HG GLU 17 1HG GLU 17 -5.799 -7.446 2.605 118 2HG GLU 17 2HG GLU 17 -4.417 -7.560 3.697 119 H ASN 18 H ASN 18 -6.385 -4.450 6.732 120 HA ASN 18 HA ASN 18 -9.226 -4.377 6.992 121 1HB ASN 18 1HB ASN 18 -6.917 -3.193 8.397 122 2HB ASN 18 2HB ASN 18 -8.437 -2.321 8.569 123 1HD2 ASN 18 2HD2 ASN 18 -6.839 -5.427 9.218 124 2HD2 ASN 18 1HD2 ASN 18 -8.022 -6.006 10.287 125 H TYR 19 H TYR 19 -6.992 -2.261 5.361 126 HA TYR 19 HA TYR 19 -8.833 -0.008 5.203 127 1HB TYR 19 1HB TYR 19 -6.244 -0.675 3.789 128 2HB TYR 19 2HB TYR 19 -7.154 0.803 3.470 129 HD1 TYR 19 HD1 TYR 19 -7.882 2.163 5.625 130 HD2 TYR 19 HD2 TYR 19 -4.650 -0.663 5.495 131 HE1 TYR 19 HE1 TYR 19 -6.889 3.206 7.635 132 HE2 TYR 19 HE2 TYR 19 -3.658 0.380 7.505 133 HH TYR 19 HH TYR 19 -3.703 2.319 8.784 134 H CYS 20 H CYS 20 -8.449 -2.952 3.437 135 HA CYS 20 HA CYS 20 -9.172 -2.360 0.837 136 1HB CYS 20 1HB CYS 20 -9.010 -4.623 1.058 137 2HB CYS 20 2HB CYS 20 -9.719 -4.635 2.665 138 H ASN 21 H ASN 21 -11.363 -2.454 -0.197 139 HA ASN 21 HA ASN 21 -13.043 -0.383 0.806 140 1HB ASN 21 1HB ASN 21 -13.079 -2.266 -1.443 141 2HB ASN 21 2HB ASN 21 -14.692 -1.875 -0.847 142 1HD2 ASN 21 2HD2 ASN 21 -13.482 -0.994 -3.383 143 2HD2 ASN 21 1HD2 ASN 21 -13.451 0.704 -3.341 144 1H GLU 1 1H GLU 1 9.701 -6.807 -4.114 145 2H GLU 1 2H GLU 1 10.535 -7.151 -5.551 146 3H GLU 1 3H GLU 1 8.835 -7.132 -5.540 147 HA GLU 1 HA GLU 1 8.692 -9.093 -4.288 148 1HB GLU 1 1HB GLU 1 10.563 -9.028 -6.594 149 2HB GLU 1 2HB GLU 1 10.588 -10.501 -5.623 150 1HG GLU 1 1HG GLU 1 8.573 -11.162 -6.406 151 2HG GLU 1 2HG GLU 1 7.868 -9.569 -6.130 152 H VAL 2 H VAL 2 12.188 -8.385 -4.684 153 HA VAL 2 HA VAL 2 12.938 -10.041 -2.442 154 HB VAL 2 HB VAL 2 14.402 -7.856 -3.941 155 1HG1 VAL 2 1HG1 VAL 2 15.441 -9.760 -1.818 156 2HG1 VAL 2 2HG1 VAL 2 16.433 -8.669 -2.785 157 3HG1 VAL 2 3HG1 VAL 2 15.265 -8.015 -1.637 158 1HG2 VAL 2 1HG2 VAL 2 13.834 -10.039 -5.098 159 2HG2 VAL 2 2HG2 VAL 2 15.560 -9.690 -4.999 160 3HG2 VAL 2 3HG2 VAL 2 14.830 -10.857 -3.895 161 H ASN 3 H ASN 3 11.554 -6.959 -2.660 162 HA ASN 3 HA ASN 3 11.328 -6.577 0.132 163 1HB ASN 3 1HB ASN 3 12.961 -4.798 0.554 164 2HB ASN 3 2HB ASN 3 13.796 -6.261 0.035 165 1HD2 ASN 3 2HD2 ASN 3 14.881 -6.230 -2.023 166 2HD2 ASN 3 1HD2 ASN 3 15.028 -4.819 -2.955 167 H GLN 4 H GLN 4 9.444 -5.455 0.083 168 HA GLN 4 HA GLN 4 9.136 -3.321 -1.986 169 1HB GLN 4 1HB GLN 4 7.411 -5.437 -1.133 170 2HB GLN 4 2HB GLN 4 6.658 -3.905 -0.691 171 1HG GLN 4 1HG GLN 4 7.310 -3.162 -3.103 172 2HG GLN 4 2HG GLN 4 7.465 -4.891 -3.419 173 1HE2 GLN 4 2HE2 GLN 4 5.269 -5.452 -1.367 174 2HE2 GLN 4 1HE2 GLN 4 3.827 -5.062 -2.172 175 H HIS 5 H HIS 5 10.321 -1.812 -0.600 176 HA HIS 5 HA HIS 5 9.361 -1.192 2.064 177 1HB HIS 5 1HB HIS 5 11.253 0.160 0.142 178 2HB HIS 5 2HB HIS 5 10.796 0.922 1.666 179 HD1 HIS 5 HD1 HIS 5 12.512 0.462 3.404 180 HD2 HIS 5 HD2 HIS 5 11.994 -2.813 0.876 181 HE1 HIS 5 HE1 HIS 5 14.058 -1.354 4.257 182 H LEU 6 H LEU 6 8.391 0.898 2.663 183 HA LEU 6 HA LEU 6 6.603 1.956 0.506 184 1HB LEU 6 1HB LEU 6 6.010 1.955 3.477 185 2HB LEU 6 2HB LEU 6 4.891 2.287 2.155 186 HG LEU 6 HG LEU 6 4.416 0.055 2.825 187 1HD1 LEU 6 1HD1 LEU 6 5.180 0.615 0.285 188 2HD1 LEU 6 2HD1 LEU 6 6.311 -0.684 0.664 189 3HD1 LEU 6 3HD1 LEU 6 4.574 -0.965 0.784 190 1HD2 LEU 6 1HD2 LEU 6 6.964 0.044 3.834 191 2HD2 LEU 6 2HD2 LEU 6 5.937 -1.384 3.710 192 3HD2 LEU 6 3HD2 LEU 6 7.129 -1.043 2.456 193 H CYS 7 H CYS 7 8.643 3.378 0.236 194 HA CYS 7 HA CYS 7 8.282 5.779 1.968 195 1HB CYS 7 1HB CYS 7 10.548 4.103 1.996 196 2HB CYS 7 2HB CYS 7 11.022 5.527 1.072 197 H GLY 8 H GLY 8 7.257 7.016 0.399 198 1HA GLY 8 1HA GLY 8 7.993 8.739 -1.303 199 2HA GLY 8 2HA GLY 8 8.758 7.401 -2.162 200 H SER 9 H SER 9 5.531 8.115 -0.777 201 HA SER 9 HA SER 9 3.404 7.509 -1.605 202 1HB SER 9 1HB SER 9 3.752 9.505 -2.900 203 2HB SER 9 2HB SER 9 4.831 8.668 -4.011 204 HG SER 9 HG SER 9 3.099 8.242 -5.109 205 H GLU 10 H GLU 10 5.481 5.374 -1.692 206 HA GLU 10 HA GLU 10 4.592 3.879 -4.114 207 1HB GLU 10 1HB GLU 10 6.962 3.578 -2.260 208 2HB GLU 10 2HB GLU 10 6.495 2.306 -3.390 209 1HG GLU 10 1HG GLU 10 6.710 5.072 -4.480 210 2HG GLU 10 2HG GLU 10 8.217 4.247 -4.075 211 H LEU 11 H LEU 11 3.638 4.260 -0.999 212 HA LEU 11 HA LEU 11 3.351 1.499 -0.157 213 1HB LEU 11 1HB LEU 11 3.325 3.305 1.493 214 2HB LEU 11 2HB LEU 11 1.897 4.005 0.733 215 HG LEU 11 HG LEU 11 0.818 1.673 1.137 216 1HD1 LEU 11 1HD1 LEU 11 3.165 1.629 3.055 217 2HD1 LEU 11 2HD1 LEU 11 1.761 0.568 3.188 218 3HD1 LEU 11 3HD1 LEU 11 2.817 0.460 1.779 219 1HD2 LEU 11 1HD2 LEU 11 1.464 3.638 3.352 220 2HD2 LEU 11 2HD2 LEU 11 0.039 3.631 2.314 221 3HD2 LEU 11 3HD2 LEU 11 0.263 2.355 3.511 222 H VAL 12 H VAL 12 1.477 3.665 -2.166 223 HA VAL 12 HA VAL 12 -1.083 2.556 -2.011 224 HB VAL 12 HB VAL 12 0.129 4.391 -3.636 225 1HG1 VAL 12 1HG1 VAL 12 -0.519 1.986 -5.356 226 2HG1 VAL 12 2HG1 VAL 12 -0.280 3.618 -5.979 227 3HG1 VAL 12 3HG1 VAL 12 1.050 2.773 -5.186 228 1HG2 VAL 12 1HG2 VAL 12 -2.391 3.755 -2.946 229 2HG2 VAL 12 2HG2 VAL 12 -2.028 4.924 -4.217 230 3HG2 VAL 12 3HG2 VAL 12 -2.435 3.259 -4.637 231 H GLU 13 H GLU 13 1.747 1.391 -3.741 232 HA GLU 13 HA GLU 13 0.551 -0.812 -5.093 233 1HB GLU 13 1HB GLU 13 2.951 0.099 -5.310 234 2HB GLU 13 2HB GLU 13 3.322 -0.880 -3.889 235 1HG GLU 13 1HG GLU 13 3.628 -2.620 -5.290 236 2HG GLU 13 2HG GLU 13 1.889 -2.596 -5.576 237 H ALA 14 H ALA 14 1.977 -0.575 -1.842 238 HA ALA 14 HA ALA 14 1.628 -3.304 -1.097 239 1HB ALA 14 1HB ALA 14 2.285 -0.808 0.219 240 2HB ALA 14 2HB ALA 14 1.176 -1.752 1.217 241 3HB ALA 14 3HB ALA 14 2.708 -2.453 0.692 242 H LEU 15 H LEU 15 -0.547 -0.511 -0.859 243 HA LEU 15 HA LEU 15 -2.660 -1.893 0.490 244 1HB LEU 15 1HB LEU 15 -2.450 0.648 -1.094 245 2HB LEU 15 2HB LEU 15 -4.034 0.049 -0.603 246 HG LEU 15 HG LEU 15 -1.902 0.093 1.467 247 1HD1 LEU 15 1HD1 LEU 15 -2.448 2.393 -0.074 248 2HD1 LEU 15 2HD1 LEU 15 -3.328 2.607 1.438 249 3HD1 LEU 15 3HD1 LEU 15 -1.588 2.322 1.464 250 1HD2 LEU 15 1HD2 LEU 15 -4.673 -0.355 1.329 251 2HD2 LEU 15 2HD2 LEU 15 -3.712 -0.169 2.799 252 3HD2 LEU 15 3HD2 LEU 15 -4.509 1.233 2.087 253 H GLU 16 H GLU 16 -1.625 -1.856 -2.829 254 HA GLU 16 HA GLU 16 -4.098 -2.534 -4.088 255 1HB GLU 16 1HB GLU 16 -1.211 -3.015 -4.778 256 2HB GLU 16 2HB GLU 16 -2.493 -3.723 -5.758 257 1HG GLU 16 1HG GLU 16 -3.490 -1.308 -5.754 258 2HG GLU 16 2HG GLU 16 -1.856 -0.820 -5.302 259 H LEU 17 H LEU 17 -1.795 -4.431 -2.244 260 HA LEU 17 HA LEU 17 -2.949 -6.999 -3.024 261 1HB LEU 17 1HB LEU 17 -0.580 -6.750 -2.256 262 2HB LEU 17 2HB LEU 17 -1.180 -6.330 -0.652 263 HG LEU 17 HG LEU 17 -2.566 -8.637 -1.160 264 1HD1 LEU 17 1HD1 LEU 17 0.079 -8.717 -2.598 265 2HD1 LEU 17 2HD1 LEU 17 -0.594 -10.185 -1.890 266 3HD1 LEU 17 3HD1 LEU 17 -1.491 -9.315 -3.136 267 1HD2 LEU 17 1HD2 LEU 17 0.104 -8.157 0.182 268 2HD2 LEU 17 2HD2 LEU 17 -1.486 -8.249 0.936 269 3HD2 LEU 17 3HD2 LEU 17 -0.734 -9.703 0.282 270 H VAL 18 H VAL 18 -3.592 -4.552 -0.646 271 HA VAL 18 HA VAL 18 -4.840 -5.938 1.424 272 HB VAL 18 HB VAL 18 -5.531 -3.315 0.090 273 1HG1 VAL 18 1HG1 VAL 18 -7.188 -4.899 1.880 274 2HG1 VAL 18 2HG1 VAL 18 -6.736 -3.365 2.623 275 3HG1 VAL 18 3HG1 VAL 18 -7.564 -3.380 1.066 276 1HG2 VAL 18 1HG2 VAL 18 -4.218 -4.181 2.671 277 2HG2 VAL 18 2HG2 VAL 18 -3.495 -3.276 1.346 278 3HG2 VAL 18 3HG2 VAL 18 -4.715 -2.516 2.367 279 H CYS 19 H CYS 19 -6.757 -4.525 -1.248 280 HA CYS 19 HA CYS 19 -8.505 -6.940 -1.069 281 1HB CYS 19 1HB CYS 19 -9.180 -4.219 -0.760 282 2HB CYS 19 2HB CYS 19 -9.766 -4.672 -2.362 283 H GLY 20 H GLY 20 -6.731 -4.736 -3.118 284 1HA GLY 20 1HA GLY 20 -6.047 -4.933 -5.347 285 2HA GLY 20 2HA GLY 20 -6.440 -6.647 -5.218 286 H GLU 21 H GLU 21 -8.631 -7.307 -5.692 287 HA GLU 21 HA GLU 21 -9.764 -6.045 -7.968 288 1HB GLU 21 1HB GLU 21 -10.533 -8.224 -6.119 289 2HB GLU 21 2HB GLU 21 -11.871 -7.453 -6.972 290 1HG GLU 21 1HG GLU 21 -10.036 -7.725 -8.987 291 2HG GLU 21 2HG GLU 21 -9.713 -9.167 -8.023 292 H ARG 22 H ARG 22 -11.410 -6.317 -4.799 293 HA ARG 22 HA ARG 22 -13.320 -4.309 -5.276 294 1HB ARG 22 1HB ARG 22 -12.021 -4.931 -2.609 295 2HB ARG 22 2HB ARG 22 -13.606 -4.198 -2.860 296 1HG ARG 22 1HG ARG 22 -13.870 -6.451 -4.357 297 2HG ARG 22 2HG ARG 22 -12.779 -7.032 -3.099 298 1HD ARG 22 1HD ARG 22 -15.204 -5.428 -2.337 299 2HD ARG 22 2HD ARG 22 -15.370 -7.147 -2.699 300 HE ARG 22 HE ARG 22 -13.263 -7.065 -0.912 301 1HH1 ARG 22 1HH1 ARG 22 -16.494 -5.847 -0.998 302 2HH1 ARG 22 2HH1 ARG 22 -16.717 -5.957 0.715 303 1HH2 ARG 22 1HH2 ARG 22 -13.543 -7.213 1.320 304 2HH2 ARG 22 2HH2 ARG 22 -15.049 -6.730 2.026 305 H GLY 23 H GLY 23 -9.991 -3.996 -4.079 306 1HA GLY 23 1HA GLY 23 -8.652 -2.019 -4.463 307 2HA GLY 23 2HA GLY 23 -10.137 -1.096 -4.697 308 H PHE 24 H PHE 24 -8.862 0.340 -3.103 309 HA PHE 24 HA PHE 24 -9.852 -0.290 -0.376 310 1HB PHE 24 1HB PHE 24 -7.540 0.695 0.418 311 2HB PHE 24 2HB PHE 24 -7.666 -1.013 0.009 312 HD1 PHE 24 HD1 PHE 24 -7.215 -1.626 -2.512 313 HD2 PHE 24 HD2 PHE 24 -5.928 2.016 -0.635 314 HE1 PHE 24 HE1 PHE 24 -5.511 -1.319 -4.277 315 HE2 PHE 24 HE2 PHE 24 -4.224 2.325 -2.401 316 HZ PHE 24 HZ PHE 24 -4.011 0.658 -4.226 317 H PHE 25 H PHE 25 -9.203 1.772 1.053 318 HA PHE 25 HA PHE 25 -10.180 4.123 -0.494 319 1HB PHE 25 1HB PHE 25 -9.905 3.803 2.513 320 2HB PHE 25 2HB PHE 25 -10.765 5.084 1.661 321 HD1 PHE 25 HD1 PHE 25 -12.718 4.377 0.110 322 HD2 PHE 25 HD2 PHE 25 -11.021 1.829 3.122 323 HE1 PHE 25 HE1 PHE 25 -14.771 2.987 0.091 324 HE2 PHE 25 HE2 PHE 25 -13.074 0.438 3.103 325 HZ PHE 25 HZ PHE 25 -14.951 1.017 1.588 326 H TYR 26 H TYR 26 -7.799 4.026 -1.363 327 HA TYR 26 HA TYR 26 -5.631 4.703 0.344 328 1HB TYR 26 1HB TYR 26 -5.618 3.961 -2.159 329 2HB TYR 26 2HB TYR 26 -5.749 5.689 -2.495 330 HD1 TYR 26 HD1 TYR 26 -3.968 3.926 0.282 331 HD2 TYR 26 HD2 TYR 26 -3.628 6.346 -3.244 332 HE1 TYR 26 HE1 TYR 26 -1.556 4.221 0.725 333 HE2 TYR 26 HE2 TYR 26 -1.210 6.646 -2.805 334 HH TYR 26 HH TYR 26 0.536 4.752 -0.772 335 H GLU 27 H GLU 27 -6.164 6.345 1.765 336 HA GLU 27 HA GLU 27 -6.330 9.061 0.546 337 1HB GLU 27 1HB GLU 27 -7.826 8.349 3.071 338 2HB GLU 27 2HB GLU 27 -8.052 9.748 2.020 339 1HG GLU 27 1HG GLU 27 -8.609 7.920 0.205 340 2HG GLU 27 2HG GLU 27 -8.944 6.912 1.613 341 HA PRO 28 HA PRO 28 -2.900 8.178 3.663 342 1HB PRO 28 1HB PRO 28 -1.165 9.585 1.840 343 2HB PRO 28 2HB PRO 28 -1.097 7.888 2.338 344 1HG PRO 28 1HG PRO 28 -1.959 8.946 -0.198 345 2HG PRO 28 2HG PRO 28 -1.878 7.253 0.306 346 1HD PRO 28 1HD PRO 28 -4.228 8.840 -0.088 347 2HD PRO 28 2HD PRO 28 -4.138 7.168 0.491 348 H LYS 29 H LYS 29 -3.598 9.710 5.164 349 HA LYS 29 HA LYS 29 -3.852 12.526 4.498 350 1HB LYS 29 1HB LYS 29 -4.567 12.828 6.716 351 2HB LYS 29 2HB LYS 29 -5.066 11.175 6.365 352 1HG LYS 29 1HG LYS 29 -2.549 12.011 7.842 353 2HG LYS 29 2HG LYS 29 -3.976 11.258 8.555 354 1HD LYS 29 1HD LYS 29 -3.616 9.260 7.129 355 2HD LYS 29 2HD LYS 29 -2.159 10.008 6.474 356 1HE LYS 29 1HE LYS 29 -2.286 9.957 9.421 357 2HE LYS 29 2HE LYS 29 -2.190 8.366 8.665 358 1HZ LYS 29 1HZ LYS 29 -0.370 9.658 7.251 359 2HZ LYS 29 2HZ LYS 29 -0.242 10.529 8.703 360 3HZ LYS 29 3HZ LYS 29 0.000 8.848 8.693 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -0.245 1.891 9.834 2 2H GLY 1 2H GLY 1 0.957 2.992 10.313 3 3H GLY 1 3H GLY 1 -0.406 2.738 11.295 4 1HA GLY 1 1HA GLY 1 -1.803 3.935 9.948 5 2HA GLY 1 2HA GLY 1 -0.291 4.831 9.799 6 H ILE 2 H ILE 2 -1.830 5.248 7.713 7 HA ILE 2 HA ILE 2 -0.979 3.296 5.614 8 HB ILE 2 HB ILE 2 -3.438 3.599 5.866 9 1HG1 ILE 2 1HG1 ILE 2 -2.166 4.677 3.331 10 2HG1 ILE 2 2HG1 ILE 2 -2.618 3.004 3.664 11 1HG2 ILE 2 1HG2 ILE 2 -2.692 6.300 6.177 12 2HG2 ILE 2 2HG2 ILE 2 -3.590 6.223 4.662 13 3HG2 ILE 2 3HG2 ILE 2 -4.329 5.645 6.156 14 1HD1 ILE 2 1HD1 ILE 2 -4.895 4.717 4.090 15 2HD1 ILE 2 2HD1 ILE 2 -4.222 5.014 2.487 16 3HD1 ILE 2 3HD1 ILE 2 -4.714 3.385 2.948 17 H GLY 3 H GLY 3 -0.318 4.262 3.532 18 1HA GLY 3 1HA GLY 3 0.262 6.375 2.315 19 2HA GLY 3 2HA GLY 3 0.780 7.027 3.872 20 H GLU 4 H GLU 4 2.614 7.040 1.796 21 HA GLU 4 HA GLU 4 4.235 4.671 1.682 22 1HB GLU 4 1HB GLU 4 5.058 7.551 1.215 23 2HB GLU 4 2HB GLU 4 5.955 6.121 0.700 24 1HG GLU 4 1HG GLU 4 4.700 5.954 -1.156 25 2HG GLU 4 2HG GLU 4 3.224 5.912 -0.191 26 H GLN 5 H GLN 5 3.700 6.816 4.207 27 HA GLN 5 HA GLN 5 6.101 7.310 5.472 28 1HB GLN 5 1HB GLN 5 3.403 7.109 6.283 29 2HB GLN 5 2HB GLN 5 4.322 6.102 7.402 30 1HG GLN 5 1HG GLN 5 4.731 8.067 8.473 31 2HG GLN 5 2HG GLN 5 5.947 8.289 7.214 32 1HE2 GLN 5 2HE2 GLN 5 5.216 10.681 7.948 33 2HE2 GLN 5 1HE2 GLN 5 4.005 11.372 6.981 34 H CYS 6 H CYS 6 4.449 4.180 5.234 35 HA CYS 6 HA CYS 6 5.989 2.628 6.975 36 1HB CYS 6 1HB CYS 6 4.071 1.795 5.591 37 2HB CYS 6 2HB CYS 6 5.137 1.794 4.185 38 H CYS 7 H CYS 7 8.175 3.319 7.046 39 HA CYS 7 HA CYS 7 9.770 2.576 4.628 40 1HB CYS 7 1HB CYS 7 9.446 5.153 5.383 41 2HB CYS 7 2HB CYS 7 10.829 4.723 6.390 42 H THR 8 H THR 8 12.171 2.294 5.295 43 HA THR 8 HA THR 8 13.654 0.917 6.495 44 HB THR 8 HB THR 8 14.052 1.645 8.731 45 HG1 THR 8 HG1 THR 8 11.574 2.944 8.861 46 1HG2 THR 8 1HG2 THR 8 12.879 3.809 6.989 47 2HG2 THR 8 2HG2 THR 8 13.621 4.176 8.546 48 3HG2 THR 8 3HG2 THR 8 14.578 3.430 7.266 49 H SER 9 H SER 9 11.297 -0.446 5.800 50 HA SER 9 HA SER 9 11.352 -2.761 7.314 51 1HB SER 9 1HB SER 9 9.016 -2.190 8.573 52 2HB SER 9 2HB SER 9 10.594 -2.026 9.340 53 HG SER 9 HG SER 9 8.793 -0.123 8.629 54 H ILE 10 H ILE 10 9.151 -4.020 7.144 55 HA ILE 10 HA ILE 10 7.805 -3.181 4.606 56 HB ILE 10 HB ILE 10 8.271 -6.024 5.547 57 1HG1 ILE 10 1HG1 ILE 10 9.824 -4.280 3.616 58 2HG1 ILE 10 2HG1 ILE 10 10.435 -5.074 5.068 59 1HG2 ILE 10 1HG2 ILE 10 6.351 -5.347 3.922 60 2HG2 ILE 10 2HG2 ILE 10 7.646 -5.085 2.753 61 3HG2 ILE 10 3HG2 ILE 10 7.406 -6.682 3.461 62 1HD1 ILE 10 1HD1 ILE 10 9.257 -7.110 3.504 63 2HD1 ILE 10 2HD1 ILE 10 10.208 -6.130 2.390 64 3HD1 ILE 10 3HD1 ILE 10 10.975 -6.854 3.803 65 H CYS 11 H CYS 11 5.857 -2.395 5.325 66 HA CYS 11 HA CYS 11 4.501 -3.379 7.669 67 1HB CYS 11 1HB CYS 11 3.477 -1.757 5.316 68 2HB CYS 11 2HB CYS 11 2.577 -2.034 6.807 69 H SER 12 H SER 12 3.681 -5.417 7.758 70 HA SER 12 HA SER 12 3.210 -7.200 5.691 71 1HB SER 12 1HB SER 12 2.496 -7.028 8.448 72 2HB SER 12 2HB SER 12 1.064 -7.531 7.554 73 HG SER 12 HG SER 12 3.217 -8.957 8.188 74 H LEU 13 H LEU 13 1.314 -7.791 4.471 75 HA LEU 13 HA LEU 13 -0.286 -5.472 3.656 76 1HB LEU 13 1HB LEU 13 -0.115 -8.348 2.738 77 2HB LEU 13 2HB LEU 13 -1.335 -7.243 2.113 78 HG LEU 13 HG LEU 13 0.710 -7.313 0.685 79 1HD1 LEU 13 1HD1 LEU 13 -0.633 -5.026 1.755 80 2HD1 LEU 13 2HD1 LEU 13 1.067 -4.609 1.538 81 3HD1 LEU 13 3HD1 LEU 13 0.123 -5.202 0.171 82 1HD2 LEU 13 1HD2 LEU 13 2.212 -7.667 2.743 83 2HD2 LEU 13 2HD2 LEU 13 2.814 -6.561 1.509 84 3HD2 LEU 13 3HD2 LEU 13 2.091 -5.925 2.987 85 H TYR 14 H TYR 14 -0.915 -8.657 5.126 86 HA TYR 14 HA TYR 14 -3.642 -8.737 5.357 87 1HB TYR 14 1HB TYR 14 -1.509 -9.411 7.367 88 2HB TYR 14 2HB TYR 14 -3.215 -9.626 7.759 89 HD1 TYR 14 HD1 TYR 14 -4.629 -11.178 6.439 90 HD2 TYR 14 HD2 TYR 14 -0.403 -10.831 5.753 91 HE1 TYR 14 HE1 TYR 14 -4.663 -13.293 5.160 92 HE2 TYR 14 HE2 TYR 14 -0.437 -12.947 4.472 93 HH TYR 14 HH TYR 14 -2.072 -15.094 4.510 94 H GLN 15 H GLN 15 -1.506 -6.597 7.222 95 HA GLN 15 HA GLN 15 -3.593 -5.575 8.921 96 1HB GLN 15 1HB GLN 15 -0.772 -4.917 8.265 97 2HB GLN 15 2HB GLN 15 -1.753 -3.601 8.895 98 1HG GLN 15 1HG GLN 15 -2.445 -5.714 10.536 99 2HG GLN 15 2HG GLN 15 -0.722 -5.975 10.264 100 1HE2 GLN 15 2HE2 GLN 15 0.601 -4.848 11.692 101 2HE2 GLN 15 1HE2 GLN 15 0.177 -3.412 12.491 102 H LEU 16 H LEU 16 -2.039 -4.371 5.944 103 HA LEU 16 HA LEU 16 -3.631 -1.999 5.704 104 1HB LEU 16 1HB LEU 16 -1.816 -3.575 3.961 105 2HB LEU 16 2HB LEU 16 -2.996 -2.566 3.127 106 HG LEU 16 HG LEU 16 -2.167 -0.580 4.103 107 1HD1 LEU 16 1HD1 LEU 16 -1.266 -2.441 6.219 108 2HD1 LEU 16 2HD1 LEU 16 -0.152 -1.116 5.880 109 3HD1 LEU 16 3HD1 LEU 16 -1.816 -0.771 6.349 110 1HD2 LEU 16 1HD2 LEU 16 -0.205 -2.524 3.080 111 2HD2 LEU 16 2HD2 LEU 16 -0.468 -0.842 2.615 112 3HD2 LEU 16 3HD2 LEU 16 0.515 -1.221 4.030 113 H GLU 17 H GLU 17 -4.403 -5.307 5.235 114 HA GLU 17 HA GLU 17 -6.330 -5.115 3.141 115 1HB GLU 17 1HB GLU 17 -5.722 -7.036 5.310 116 2HB GLU 17 2HB GLU 17 -7.345 -7.112 4.626 117 1HG GLU 17 1HG GLU 17 -6.326 -7.206 2.343 118 2HG GLU 17 2HG GLU 17 -4.734 -7.292 3.099 119 H ASN 18 H ASN 18 -6.469 -4.211 6.502 120 HA ASN 18 HA ASN 18 -9.313 -4.181 6.818 121 1HB ASN 18 1HB ASN 18 -7.050 -3.442 8.342 122 2HB ASN 18 2HB ASN 18 -8.100 -2.030 8.264 123 1HD2 ASN 18 2HD2 ASN 18 -10.521 -2.546 8.744 124 2HD2 ASN 18 1HD2 ASN 18 -10.828 -3.691 9.958 125 H TYR 19 H TYR 19 -7.093 -2.034 5.214 126 HA TYR 19 HA TYR 19 -8.889 0.243 5.124 127 1HB TYR 19 1HB TYR 19 -6.420 -0.446 3.508 128 2HB TYR 19 2HB TYR 19 -7.267 1.099 3.418 129 HD1 TYR 19 HD1 TYR 19 -7.943 1.912 6.005 130 HD2 TYR 19 HD2 TYR 19 -4.483 -0.337 4.807 131 HE1 TYR 19 HE1 TYR 19 -6.733 2.698 8.016 132 HE2 TYR 19 HE2 TYR 19 -3.274 0.451 6.816 133 HH TYR 19 HH TYR 19 -4.323 1.390 9.344 134 H CYS 20 H CYS 20 -8.728 -2.709 3.382 135 HA CYS 20 HA CYS 20 -9.519 -2.065 0.797 136 1HB CYS 20 1HB CYS 20 -9.463 -4.338 0.932 137 2HB CYS 20 2HB CYS 20 -9.962 -4.349 2.616 138 H ASN 21 H ASN 21 -11.783 -2.097 -0.121 139 HA ASN 21 HA ASN 21 -13.367 -0.049 1.191 140 1HB ASN 21 1HB ASN 21 -13.303 -1.382 -1.399 141 2HB ASN 21 2HB ASN 21 -14.954 -1.184 -0.812 142 1HD2 ASN 21 2HD2 ASN 21 -12.718 0.366 -2.663 143 2HD2 ASN 21 1HD2 ASN 21 -13.159 1.981 -2.376 144 1H GLU 1 1H GLU 1 17.681 -7.999 1.278 145 2H GLU 1 2H GLU 1 19.261 -8.483 1.673 146 3H GLU 1 3H GLU 1 18.172 -8.043 2.900 147 HA GLU 1 HA GLU 1 18.812 -5.943 2.781 148 1HB GLU 1 1HB GLU 1 20.773 -5.382 1.456 149 2HB GLU 1 2HB GLU 1 20.985 -7.005 2.112 150 1HG GLU 1 1HG GLU 1 19.670 -7.484 -0.272 151 2HG GLU 1 2HG GLU 1 20.740 -6.142 -0.681 152 H VAL 2 H VAL 2 17.472 -4.357 2.084 153 HA VAL 2 HA VAL 2 16.103 -3.084 0.667 154 HB VAL 2 HB VAL 2 18.173 -4.104 -1.293 155 1HG1 VAL 2 1HG1 VAL 2 16.067 -3.602 -2.484 156 2HG1 VAL 2 2HG1 VAL 2 16.012 -2.016 -1.716 157 3HG1 VAL 2 3HG1 VAL 2 17.305 -2.401 -2.853 158 1HG2 VAL 2 1HG2 VAL 2 17.876 -1.797 0.539 159 2HG2 VAL 2 2HG2 VAL 2 19.340 -2.550 -0.094 160 3HG2 VAL 2 3HG2 VAL 2 18.445 -1.394 -1.082 161 H ASN 3 H ASN 3 14.180 -4.290 0.836 162 HA ASN 3 HA ASN 3 13.663 -6.121 -1.467 163 1HB ASN 3 1HB ASN 3 13.844 -6.921 1.220 164 2HB ASN 3 2HB ASN 3 12.114 -6.838 0.883 165 1HD2 ASN 3 2HD2 ASN 3 11.365 -8.838 0.183 166 2HD2 ASN 3 1HD2 ASN 3 12.217 -9.903 -0.828 167 H GLN 4 H GLN 4 10.940 -6.612 -0.728 168 HA GLN 4 HA GLN 4 9.585 -4.485 -1.932 169 1HB GLN 4 1HB GLN 4 8.774 -6.875 -1.085 170 2HB GLN 4 2HB GLN 4 8.198 -5.933 0.290 171 1HG GLN 4 1HG GLN 4 7.243 -4.344 -1.593 172 2HG GLN 4 2HG GLN 4 7.354 -5.798 -2.584 173 1HE2 GLN 4 2HE2 GLN 4 6.173 -7.766 -1.736 174 2HE2 GLN 4 1HE2 GLN 4 4.796 -7.540 -0.769 175 H HIS 5 H HIS 5 9.910 -2.396 -1.255 176 HA HIS 5 HA HIS 5 9.378 -1.822 1.634 177 1HB HIS 5 1HB HIS 5 11.495 -0.835 -0.223 178 2HB HIS 5 2HB HIS 5 10.830 0.317 0.935 179 HD1 HIS 5 HD1 HIS 5 12.916 0.356 2.451 180 HD2 HIS 5 HD2 HIS 5 11.315 -3.460 1.943 181 HE1 HIS 5 HE1 HIS 5 14.062 -1.133 4.149 182 H LEU 6 H LEU 6 8.340 0.270 2.030 183 HA LEU 6 HA LEU 6 6.807 1.253 -0.345 184 1HB LEU 6 1HB LEU 6 5.851 1.182 2.533 185 2HB LEU 6 2HB LEU 6 4.905 1.640 1.116 186 HG LEU 6 HG LEU 6 4.289 -0.615 1.576 187 1HD1 LEU 6 1HD1 LEU 6 5.381 0.081 -0.815 188 2HD1 LEU 6 2HD1 LEU 6 6.392 -1.302 -0.394 189 3HD1 LEU 6 3HD1 LEU 6 4.641 -1.489 -0.502 190 1HD2 LEU 6 1HD2 LEU 6 6.790 -0.758 2.788 191 2HD2 LEU 6 2HD2 LEU 6 5.647 -2.091 2.620 192 3HD2 LEU 6 3HD2 LEU 6 6.925 -1.869 1.425 193 H CYS 7 H CYS 7 8.683 2.777 -0.500 194 HA CYS 7 HA CYS 7 8.180 5.158 1.213 195 1HB CYS 7 1HB CYS 7 10.405 3.516 1.564 196 2HB CYS 7 2HB CYS 7 11.009 4.833 0.559 197 H GLY 8 H GLY 8 7.068 5.302 -1.107 198 1HA GLY 8 1HA GLY 8 7.877 7.426 -2.542 199 2HA GLY 8 2HA GLY 8 8.961 6.193 -3.191 200 H SER 9 H SER 9 5.499 6.853 -2.635 201 HA SER 9 HA SER 9 3.610 6.058 -3.791 202 1HB SER 9 1HB SER 9 3.653 6.856 -5.917 203 2HB SER 9 2HB SER 9 5.290 7.379 -5.537 204 HG SER 9 HG SER 9 6.039 5.403 -6.368 205 H GLU 10 H GLU 10 5.465 4.038 -2.681 206 HA GLU 10 HA GLU 10 5.037 1.832 -4.650 207 1HB GLU 10 1HB GLU 10 7.039 2.195 -2.414 208 2HB GLU 10 2HB GLU 10 6.741 0.624 -3.160 209 1HG GLU 10 1HG GLU 10 7.391 3.065 -4.812 210 2HG GLU 10 2HG GLU 10 8.655 2.029 -4.151 211 H LEU 11 H LEU 11 3.620 3.159 -1.976 212 HA LEU 11 HA LEU 11 3.005 0.613 -0.619 213 1HB LEU 11 1HB LEU 11 3.309 2.731 0.682 214 2HB LEU 11 2HB LEU 11 1.858 3.369 -0.092 215 HG LEU 11 HG LEU 11 0.568 1.429 0.786 216 1HD1 LEU 11 1HD1 LEU 11 3.224 0.801 2.098 217 2HD1 LEU 11 2HD1 LEU 11 1.695 0.091 2.615 218 3HD1 LEU 11 3HD1 LEU 11 2.309 -0.227 0.992 219 1HD2 LEU 11 1HD2 LEU 11 1.132 3.693 2.073 220 2HD2 LEU 11 2HD2 LEU 11 0.223 2.403 2.858 221 3HD2 LEU 11 3HD2 LEU 11 1.948 2.583 3.176 222 H VAL 12 H VAL 12 1.703 2.553 -3.143 223 HA VAL 12 HA VAL 12 -1.066 1.910 -2.829 224 HB VAL 12 HB VAL 12 0.550 3.326 -4.686 225 1HG1 VAL 12 1HG1 VAL 12 0.484 1.265 -6.092 226 2HG1 VAL 12 2HG1 VAL 12 -1.278 1.359 -6.087 227 3HG1 VAL 12 3HG1 VAL 12 -0.328 2.638 -6.845 228 1HG2 VAL 12 1HG2 VAL 12 -2.449 2.905 -4.561 229 2HG2 VAL 12 2HG2 VAL 12 -1.537 4.106 -3.646 230 3HG2 VAL 12 3HG2 VAL 12 -1.638 4.225 -5.403 231 H GLU 13 H GLU 13 1.647 0.212 -4.314 232 HA GLU 13 HA GLU 13 0.120 -1.879 -5.555 233 1HB GLU 13 1HB GLU 13 2.696 -1.245 -5.703 234 2HB GLU 13 2HB GLU 13 2.832 -2.427 -4.400 235 1HG GLU 13 1HG GLU 13 1.333 -3.908 -5.983 236 2HG GLU 13 2HG GLU 13 1.947 -2.834 -7.240 237 H ALA 14 H ALA 14 1.704 -1.649 -2.360 238 HA ALA 14 HA ALA 14 0.973 -4.219 -1.403 239 1HB ALA 14 1HB ALA 14 1.955 -1.721 -0.269 240 2HB ALA 14 2HB ALA 14 0.817 -2.523 0.813 241 3HB ALA 14 3HB ALA 14 2.256 -3.377 0.255 242 H LEU 15 H LEU 15 -0.777 -1.139 -1.379 243 HA LEU 15 HA LEU 15 -3.044 -2.129 0.098 244 1HB LEU 15 1HB LEU 15 -2.536 0.276 -1.641 245 2HB LEU 15 2HB LEU 15 -4.153 -0.070 -1.032 246 HG LEU 15 HG LEU 15 -1.905 -0.178 0.917 247 1HD1 LEU 15 1HD1 LEU 15 -1.717 1.939 -0.582 248 2HD1 LEU 15 2HD1 LEU 15 -3.193 2.460 0.230 249 3HD1 LEU 15 3HD1 LEU 15 -1.731 2.159 1.167 250 1HD2 LEU 15 1HD2 LEU 15 -4.742 -0.220 0.925 251 2HD2 LEU 15 2HD2 LEU 15 -3.664 -0.226 2.325 252 3HD2 LEU 15 3HD2 LEU 15 -4.260 1.304 1.679 253 H GLU 16 H GLU 16 -2.095 -2.214 -3.267 254 HA GLU 16 HA GLU 16 -4.646 -2.689 -4.446 255 1HB GLU 16 1HB GLU 16 -1.841 -3.508 -5.198 256 2HB GLU 16 2HB GLU 16 -3.232 -4.007 -6.162 257 1HG GLU 16 1HG GLU 16 -3.482 -1.211 -5.573 258 2HG GLU 16 2HG GLU 16 -1.875 -1.509 -6.235 259 H LEU 17 H LEU 17 -2.506 -4.712 -2.579 260 HA LEU 17 HA LEU 17 -3.862 -7.211 -3.261 261 1HB LEU 17 1HB LEU 17 -1.526 -7.303 -2.592 262 2HB LEU 17 2HB LEU 17 -1.887 -6.478 -1.076 263 HG LEU 17 HG LEU 17 -3.639 -8.653 -1.105 264 1HD1 LEU 17 1HD1 LEU 17 -1.825 -9.312 -3.002 265 2HD1 LEU 17 2HD1 LEU 17 -0.977 -9.888 -1.566 266 3HD1 LEU 17 3HD1 LEU 17 -2.585 -10.504 -1.947 267 1HD2 LEU 17 1HD2 LEU 17 -1.111 -7.887 0.296 268 2HD2 LEU 17 2HD2 LEU 17 -2.722 -8.162 0.960 269 3HD2 LEU 17 3HD2 LEU 17 -1.702 -9.533 0.523 270 H VAL 18 H VAL 18 -4.191 -4.662 -0.917 271 HA VAL 18 HA VAL 18 -5.585 -5.903 1.166 272 HB VAL 18 HB VAL 18 -5.908 -3.170 -0.089 273 1HG1 VAL 18 1HG1 VAL 18 -7.599 -4.536 1.874 274 2HG1 VAL 18 2HG1 VAL 18 -6.926 -3.025 2.485 275 3HG1 VAL 18 3HG1 VAL 18 -7.881 -3.028 1.003 276 1HG2 VAL 18 1HG2 VAL 18 -4.595 -4.237 2.424 277 2HG2 VAL 18 2HG2 VAL 18 -3.786 -3.552 1.018 278 3HG2 VAL 18 3HG2 VAL 18 -4.769 -2.521 2.057 279 H CYS 19 H CYS 19 -7.431 -3.985 -1.192 280 HA CYS 19 HA CYS 19 -9.492 -6.138 -1.114 281 1HB CYS 19 1HB CYS 19 -9.771 -3.427 -0.629 282 2HB CYS 19 2HB CYS 19 -10.267 -3.569 -2.314 283 H GLY 20 H GLY 20 -8.014 -3.756 -3.327 284 1HA GLY 20 1HA GLY 20 -7.321 -4.060 -5.559 285 2HA GLY 20 2HA GLY 20 -7.717 -5.769 -5.403 286 H GLU 21 H GLU 21 -10.076 -6.314 -5.503 287 HA GLU 21 HA GLU 21 -11.290 -5.216 -7.826 288 1HB GLU 21 1HB GLU 21 -12.681 -6.685 -5.569 289 2HB GLU 21 2HB GLU 21 -13.248 -6.534 -7.233 290 1HG GLU 21 1HG GLU 21 -11.844 -8.155 -7.985 291 2HG GLU 21 2HG GLU 21 -10.509 -7.597 -6.974 292 H ARG 22 H ARG 22 -12.910 -5.087 -4.652 293 HA ARG 22 HA ARG 22 -14.504 -2.838 -5.287 294 1HB ARG 22 1HB ARG 22 -13.693 -4.233 -2.788 295 2HB ARG 22 2HB ARG 22 -14.321 -2.596 -2.606 296 1HG ARG 22 1HG ARG 22 -16.402 -3.157 -3.556 297 2HG ARG 22 2HG ARG 22 -15.764 -4.620 -4.309 298 1HD ARG 22 1HD ARG 22 -15.612 -4.415 -1.337 299 2HD ARG 22 2HD ARG 22 -17.193 -4.729 -2.055 300 HE ARG 22 HE ARG 22 -15.531 -6.554 -3.307 301 1HH1 ARG 22 1HH1 ARG 22 -16.263 -5.672 -0.048 302 2HH1 ARG 22 2HH1 ARG 22 -15.970 -7.257 0.582 303 1HH2 ARG 22 1HH2 ARG 22 -15.149 -8.625 -2.495 304 2HH2 ARG 22 2HH2 ARG 22 -15.340 -8.927 -0.799 305 H GLY 23 H GLY 23 -11.180 -3.032 -4.204 306 1HA GLY 23 1HA GLY 23 -9.637 -1.189 -4.576 307 2HA GLY 23 2HA GLY 23 -11.003 -0.076 -4.496 308 H PHE 24 H PHE 24 -9.477 1.023 -2.930 309 HA PHE 24 HA PHE 24 -10.045 -0.004 -0.190 310 1HB PHE 24 1HB PHE 24 -7.637 1.077 0.278 311 2HB PHE 24 2HB PHE 24 -7.827 -0.618 -0.167 312 HD1 PHE 24 HD1 PHE 24 -8.054 2.523 -2.206 313 HD2 PHE 24 HD2 PHE 24 -6.029 -1.203 -1.536 314 HE1 PHE 24 HE1 PHE 24 -6.694 2.897 -4.238 315 HE2 PHE 24 HE2 PHE 24 -4.672 -0.832 -3.571 316 HZ PHE 24 HZ PHE 24 -5.000 1.221 -4.926 317 H PHE 25 H PHE 25 -8.924 1.987 1.295 318 HA PHE 25 HA PHE 25 -10.370 4.407 0.305 319 1HB PHE 25 1HB PHE 25 -11.235 4.717 2.405 320 2HB PHE 25 2HB PHE 25 -10.897 2.999 2.580 321 HD1 PHE 25 HD1 PHE 25 -8.015 2.864 2.915 322 HD2 PHE 25 HD2 PHE 25 -10.802 5.755 4.430 323 HE1 PHE 25 HE1 PHE 25 -6.457 3.392 4.770 324 HE2 PHE 25 HE2 PHE 25 -9.247 6.282 6.292 325 HZ PHE 25 HZ PHE 25 -7.072 5.100 6.459 326 H TYR 26 H TYR 26 -7.565 3.650 -0.276 327 HA TYR 26 HA TYR 26 -5.500 4.703 1.103 328 1HB TYR 26 1HB TYR 26 -5.712 4.051 -1.472 329 2HB TYR 26 2HB TYR 26 -5.724 5.806 -1.664 330 HD1 TYR 26 HD1 TYR 26 -4.019 6.618 0.630 331 HD2 TYR 26 HD2 TYR 26 -3.550 3.433 -2.204 332 HE1 TYR 26 HE1 TYR 26 -1.577 6.667 0.996 333 HE2 TYR 26 HE2 TYR 26 -1.099 3.479 -1.843 334 HH TYR 26 HH TYR 26 0.363 5.598 0.600 335 H GLU 27 H GLU 27 -5.419 6.422 2.397 336 HA GLU 27 HA GLU 27 -5.530 9.110 1.474 337 1HB GLU 27 1HB GLU 27 -8.093 7.944 2.078 338 2HB GLU 27 2HB GLU 27 -7.731 9.188 3.274 339 1HG GLU 27 1HG GLU 27 -7.087 10.691 1.308 340 2HG GLU 27 2HG GLU 27 -7.837 9.480 0.267 341 HA PRO 28 HA PRO 28 -3.349 8.057 5.416 342 1HB PRO 28 1HB PRO 28 -1.405 10.032 4.634 343 2HB PRO 28 2HB PRO 28 -1.199 8.277 4.755 344 1HG PRO 28 1HG PRO 28 -1.384 9.863 2.362 345 2HG PRO 28 2HG PRO 28 -1.193 8.109 2.492 346 1HD PRO 28 1HD PRO 28 -3.533 9.565 1.679 347 2HD PRO 28 2HD PRO 28 -3.340 7.812 1.833 348 H LYS 29 H LYS 29 -4.424 9.080 7.050 349 HA LYS 29 HA LYS 29 -5.587 11.621 7.034 350 1HB LYS 29 1HB LYS 29 -5.193 11.515 9.589 351 2HB LYS 29 2HB LYS 29 -6.131 10.211 8.858 352 1HG LYS 29 1HG LYS 29 -3.296 9.617 8.740 353 2HG LYS 29 2HG LYS 29 -3.794 9.944 10.400 354 1HD LYS 29 1HD LYS 29 -5.863 8.377 9.476 355 2HD LYS 29 2HD LYS 29 -4.468 7.670 8.659 356 1HE LYS 29 1HE LYS 29 -3.971 6.605 10.581 357 2HE LYS 29 2HE LYS 29 -3.615 8.178 11.294 358 1HZ LYS 29 1HZ LYS 29 -6.387 7.185 11.127 359 2HZ LYS 29 2HZ LYS 29 -5.371 6.716 12.406 360 3HZ LYS 29 3HZ LYS 29 -5.734 8.355 12.172 Start of MODEL 7 1 1H GLY 1 1H GLY 1 0.139 3.878 10.966 2 2H GLY 1 2H GLY 1 1.343 5.075 11.031 3 3H GLY 1 3H GLY 1 -0.141 5.322 11.816 4 1HA GLY 1 1HA GLY 1 -1.246 5.853 9.927 5 2HA GLY 1 2HA GLY 1 0.377 6.370 9.464 6 H ILE 2 H ILE 2 -1.267 5.701 7.418 7 HA ILE 2 HA ILE 2 -0.304 2.985 6.616 8 HB ILE 2 HB ILE 2 -2.631 2.732 6.763 9 1HG1 ILE 2 1HG1 ILE 2 -1.596 2.297 4.418 10 2HG1 ILE 2 2HG1 ILE 2 -3.352 2.343 4.560 11 1HG2 ILE 2 1HG2 ILE 2 -2.757 5.562 5.730 12 2HG2 ILE 2 2HG2 ILE 2 -4.175 4.515 5.755 13 3HG2 ILE 2 3HG2 ILE 2 -3.358 4.927 7.264 14 1HD1 ILE 2 1HD1 ILE 2 -2.277 5.003 4.099 15 2HD1 ILE 2 2HD1 ILE 2 -1.779 3.886 2.828 16 3HD1 ILE 2 3HD1 ILE 2 -3.492 4.115 3.178 17 H GLY 3 H GLY 3 -0.107 6.294 6.034 18 1HA GLY 3 1HA GLY 3 0.027 6.482 3.212 19 2HA GLY 3 2HA GLY 3 0.939 7.510 4.318 20 H GLU 4 H GLU 4 2.720 7.353 2.714 21 HA GLU 4 HA GLU 4 3.959 4.719 2.342 22 1HB GLU 4 1HB GLU 4 4.928 7.492 1.583 23 2HB GLU 4 2HB GLU 4 5.688 5.978 1.092 24 1HG GLU 4 1HG GLU 4 4.179 5.651 -0.552 25 2HG GLU 4 2HG GLU 4 2.828 5.973 0.536 26 H GLN 5 H GLN 5 3.830 6.674 4.947 27 HA GLN 5 HA GLN 5 6.388 7.228 5.862 28 1HB GLN 5 1HB GLN 5 5.457 6.375 8.160 29 2HB GLN 5 2HB GLN 5 4.680 7.755 7.383 30 1HG GLN 5 1HG GLN 5 2.742 6.629 7.188 31 2HG GLN 5 2HG GLN 5 3.554 5.285 6.384 32 1HE2 GLN 5 2HE2 GLN 5 4.511 3.583 7.808 33 2HE2 GLN 5 1HE2 GLN 5 3.906 3.361 9.378 34 H CYS 6 H CYS 6 4.805 4.064 5.708 35 HA CYS 6 HA CYS 6 6.805 2.545 7.046 36 1HB CYS 6 1HB CYS 6 4.483 2.042 5.363 37 2HB CYS 6 2HB CYS 6 5.778 0.897 5.030 38 H CYS 7 H CYS 7 8.891 3.225 6.409 39 HA CYS 7 HA CYS 7 9.661 2.436 3.629 40 1HB CYS 7 1HB CYS 7 10.472 4.922 5.152 41 2HB CYS 7 2HB CYS 7 11.306 4.358 3.705 42 H THR 8 H THR 8 11.958 1.865 3.423 43 HA THR 8 HA THR 8 14.056 1.108 4.218 44 HB THR 8 HB THR 8 13.192 1.107 7.075 45 HG1 THR 8 HG1 THR 8 14.002 3.489 5.826 46 1HG2 THR 8 1HG2 THR 8 15.553 0.689 5.786 47 2HG2 THR 8 2HG2 THR 8 15.670 2.414 6.134 48 3HG2 THR 8 3HG2 THR 8 15.432 1.263 7.449 49 H SER 9 H SER 9 11.923 -0.171 6.786 50 HA SER 9 HA SER 9 12.765 -2.885 6.166 51 1HB SER 9 1HB SER 9 11.050 -3.462 7.951 52 2HB SER 9 2HB SER 9 12.340 -2.382 8.471 53 HG SER 9 HG SER 9 10.678 -1.211 9.072 54 H ILE 10 H ILE 10 9.504 -3.103 6.914 55 HA ILE 10 HA ILE 10 8.455 -2.767 4.224 56 HB ILE 10 HB ILE 10 9.849 -5.012 4.381 57 1HG1 ILE 10 1HG1 ILE 10 7.060 -4.853 3.195 58 2HG1 ILE 10 2HG1 ILE 10 8.537 -4.254 2.438 59 1HG2 ILE 10 1HG2 ILE 10 8.577 -5.774 6.420 60 2HG2 ILE 10 2HG2 ILE 10 7.141 -5.906 5.406 61 3HG2 ILE 10 3HG2 ILE 10 8.546 -6.922 5.082 62 1HD1 ILE 10 1HD1 ILE 10 9.464 -6.584 2.547 63 2HD1 ILE 10 2HD1 ILE 10 7.891 -7.134 3.124 64 3HD1 ILE 10 3HD1 ILE 10 8.045 -6.438 1.510 65 H CYS 11 H CYS 11 6.308 -2.367 4.378 66 HA CYS 11 HA CYS 11 4.978 -2.676 6.982 67 1HB CYS 11 1HB CYS 11 4.779 -0.869 4.841 68 2HB CYS 11 2HB CYS 11 3.275 -1.787 4.799 69 H SER 12 H SER 12 4.030 -4.629 7.422 70 HA SER 12 HA SER 12 3.557 -6.734 5.661 71 1HB SER 12 1HB SER 12 3.091 -6.371 8.307 72 2HB SER 12 2HB SER 12 1.439 -6.311 7.700 73 HG SER 12 HG SER 12 1.884 -8.305 6.627 74 H LEU 13 H LEU 13 1.937 -7.242 4.178 75 HA LEU 13 HA LEU 13 0.350 -5.063 3.137 76 1HB LEU 13 1HB LEU 13 0.469 -8.027 2.578 77 2HB LEU 13 2HB LEU 13 -0.749 -7.006 1.821 78 HG LEU 13 HG LEU 13 1.399 -7.328 0.485 79 1HD1 LEU 13 1HD1 LEU 13 -0.297 -5.173 0.717 80 2HD1 LEU 13 2HD1 LEU 13 1.279 -4.426 0.972 81 3HD1 LEU 13 3HD1 LEU 13 0.962 -5.331 -0.508 82 1HD2 LEU 13 1HD2 LEU 13 2.923 -7.166 2.445 83 2HD2 LEU 13 2HD2 LEU 13 3.333 -5.991 1.194 84 3HD2 LEU 13 3HD2 LEU 13 2.464 -5.474 2.640 85 H TYR 14 H TYR 14 -0.450 -8.007 4.983 86 HA TYR 14 HA TYR 14 -3.229 -7.746 5.128 87 1HB TYR 14 1HB TYR 14 -1.242 -8.680 7.207 88 2HB TYR 14 2HB TYR 14 -2.989 -8.818 7.420 89 HD1 TYR 14 HD1 TYR 14 -4.340 -10.098 5.687 90 HD2 TYR 14 HD2 TYR 14 -0.051 -10.229 5.857 91 HE1 TYR 14 HE1 TYR 14 -4.350 -12.158 4.318 92 HE2 TYR 14 HE2 TYR 14 -0.060 -12.289 4.486 93 HH TYR 14 HH TYR 14 -2.642 -14.200 4.055 94 H GLN 15 H GLN 15 -0.787 -5.745 6.590 95 HA GLN 15 HA GLN 15 -2.387 -4.590 8.665 96 1HB GLN 15 1HB GLN 15 0.185 -4.043 7.317 97 2HB GLN 15 2HB GLN 15 -0.608 -2.633 8.006 98 1HG GLN 15 1HG GLN 15 -0.695 -3.644 10.186 99 2HG GLN 15 2HG GLN 15 -0.195 -5.207 9.535 100 1HE2 GLN 15 2HE2 GLN 15 1.352 -4.137 11.594 101 2HE2 GLN 15 1HE2 GLN 15 2.840 -3.594 10.983 102 H LEU 16 H LEU 16 -1.705 -3.582 5.306 103 HA LEU 16 HA LEU 16 -3.497 -1.280 5.517 104 1HB LEU 16 1HB LEU 16 -2.039 -2.566 3.199 105 2HB LEU 16 2HB LEU 16 -3.105 -1.181 3.001 106 HG LEU 16 HG LEU 16 -1.273 0.082 3.394 107 1HD1 LEU 16 1HD1 LEU 16 -1.546 -1.034 6.200 108 2HD1 LEU 16 2HD1 LEU 16 -0.603 0.394 5.771 109 3HD1 LEU 16 3HD1 LEU 16 -2.353 0.399 5.561 110 1HD2 LEU 16 1HD2 LEU 16 -0.072 -2.334 3.302 111 2HD2 LEU 16 2HD2 LEU 16 0.806 -0.840 3.633 112 3HD2 LEU 16 3HD2 LEU 16 0.304 -1.881 4.965 113 H GLU 17 H GLU 17 -4.065 -4.548 5.270 114 HA GLU 17 HA GLU 17 -6.082 -4.674 3.250 115 1HB GLU 17 1HB GLU 17 -5.253 -6.347 5.548 116 2HB GLU 17 2HB GLU 17 -6.895 -6.584 4.952 117 1HG GLU 17 1HG GLU 17 -5.008 -6.349 2.758 118 2HG GLU 17 2HG GLU 17 -4.560 -7.662 3.846 119 H ASN 18 H ASN 18 -6.112 -3.487 6.521 120 HA ASN 18 HA ASN 18 -8.936 -3.592 6.997 121 1HB ASN 18 1HB ASN 18 -7.287 -3.155 8.781 122 2HB ASN 18 2HB ASN 18 -6.879 -1.616 8.019 123 1HD2 ASN 18 2HD2 ASN 18 -9.003 -3.108 10.266 124 2HD2 ASN 18 1HD2 ASN 18 -10.097 -1.821 10.434 125 H TYR 19 H TYR 19 -7.018 -1.597 4.946 126 HA TYR 19 HA TYR 19 -9.153 0.453 4.757 127 1HB TYR 19 1HB TYR 19 -6.453 0.377 3.377 128 2HB TYR 19 2HB TYR 19 -7.563 1.746 3.433 129 HD1 TYR 19 HD1 TYR 19 -7.901 3.018 5.502 130 HD2 TYR 19 HD2 TYR 19 -5.150 -0.275 5.325 131 HE1 TYR 19 HE1 TYR 19 -6.896 3.743 7.646 132 HE2 TYR 19 HE2 TYR 19 -4.148 0.445 7.469 133 HH TYR 19 HH TYR 19 -3.941 2.492 8.807 134 H CYS 20 H CYS 20 -9.456 -2.301 3.757 135 HA CYS 20 HA CYS 20 -9.216 -2.499 0.948 136 1HB CYS 20 1HB CYS 20 -10.602 -3.857 3.020 137 2HB CYS 20 2HB CYS 20 -11.725 -3.578 1.712 138 H ASN 21 H ASN 21 -11.718 -2.740 -0.099 139 HA ASN 21 HA ASN 21 -12.437 0.010 -0.648 140 1HB ASN 21 1HB ASN 21 -12.825 -2.479 -1.902 141 2HB ASN 21 2HB ASN 21 -14.441 -1.886 -1.518 142 1HD2 ASN 21 2HD2 ASN 21 -15.081 -1.151 -3.576 143 2HD2 ASN 21 1HD2 ASN 21 -14.271 0.068 -4.437 144 1H GLU 1 1H GLU 1 15.217 -11.063 2.703 145 2H GLU 1 2H GLU 1 14.650 -12.582 3.200 146 3H GLU 1 3H GLU 1 15.582 -12.446 1.786 147 HA GLU 1 HA GLU 1 13.573 -12.521 0.792 148 1HB GLU 1 1HB GLU 1 11.498 -11.778 1.910 149 2HB GLU 1 2HB GLU 1 12.387 -12.917 2.921 150 1HG GLU 1 1HG GLU 1 13.500 -10.703 3.866 151 2HG GLU 1 2HG GLU 1 12.010 -9.967 3.273 152 H VAL 2 H VAL 2 11.772 -10.578 0.292 153 HA VAL 2 HA VAL 2 13.473 -8.374 -0.663 154 HB VAL 2 HB VAL 2 11.278 -7.617 -1.722 155 1HG1 VAL 2 1HG1 VAL 2 12.518 -10.319 -2.244 156 2HG1 VAL 2 2HG1 VAL 2 11.225 -9.691 -3.267 157 3HG1 VAL 2 3HG1 VAL 2 12.751 -8.814 -3.136 158 1HG2 VAL 2 1HG2 VAL 2 10.091 -9.167 0.134 159 2HG2 VAL 2 2HG2 VAL 2 9.339 -8.820 -1.423 160 3HG2 VAL 2 3HG2 VAL 2 10.198 -10.341 -1.178 161 H ASN 3 H ASN 3 13.653 -6.452 0.400 162 HA ASN 3 HA ASN 3 11.461 -5.671 2.270 163 1HB ASN 3 1HB ASN 3 13.443 -4.705 3.691 164 2HB ASN 3 2HB ASN 3 13.037 -6.416 3.829 165 1HD2 ASN 3 2HD2 ASN 3 14.306 -7.869 2.174 166 2HD2 ASN 3 1HD2 ASN 3 15.937 -7.470 1.925 167 H GLN 4 H GLN 4 10.917 -4.304 0.364 168 HA GLN 4 HA GLN 4 12.775 -2.002 -0.015 169 1HB GLN 4 1HB GLN 4 10.882 -3.437 -1.724 170 2HB GLN 4 2HB GLN 4 10.643 -1.690 -1.777 171 1HG GLN 4 1HG GLN 4 12.304 -2.536 -3.468 172 2HG GLN 4 2HG GLN 4 12.962 -1.325 -2.368 173 1HE2 GLN 4 2HE2 GLN 4 13.042 -4.758 -3.220 174 2HE2 GLN 4 1HE2 GLN 4 14.384 -5.150 -2.256 175 H HIS 5 H HIS 5 9.986 -2.915 1.655 176 HA HIS 5 HA HIS 5 8.302 -1.718 2.744 177 1HB HIS 5 1HB HIS 5 10.719 -0.687 3.495 178 2HB HIS 5 2HB HIS 5 9.871 0.756 2.934 179 HD1 HIS 5 HD1 HIS 5 10.379 0.192 5.998 180 HD2 HIS 5 HD2 HIS 5 6.872 -0.694 3.974 181 HE1 HIS 5 HE1 HIS 5 8.577 0.036 7.757 182 H LEU 6 H LEU 6 7.178 0.600 2.721 183 HA LEU 6 HA LEU 6 6.655 1.180 -0.145 184 1HB LEU 6 1HB LEU 6 5.063 1.890 2.339 185 2HB LEU 6 2HB LEU 6 4.554 2.184 0.674 186 HG LEU 6 HG LEU 6 3.477 0.157 1.272 187 1HD1 LEU 6 1HD1 LEU 6 5.080 0.183 -0.837 188 2HD1 LEU 6 2HD1 LEU 6 5.959 -1.032 0.091 189 3HD1 LEU 6 3HD1 LEU 6 4.272 -1.304 -0.345 190 1HD2 LEU 6 1HD2 LEU 6 5.284 -0.036 3.255 191 2HD2 LEU 6 2HD2 LEU 6 4.303 -1.407 2.739 192 3HD2 LEU 6 3HD2 LEU 6 5.957 -1.235 2.153 193 H CYS 7 H CYS 7 7.844 2.872 -0.897 194 HA CYS 7 HA CYS 7 7.811 5.396 0.654 195 1HB CYS 7 1HB CYS 7 10.054 3.719 0.626 196 2HB CYS 7 2HB CYS 7 10.416 4.968 -0.564 197 H GLY 8 H GLY 8 7.810 7.217 -0.692 198 1HA GLY 8 1HA GLY 8 7.912 8.436 -2.725 199 2HA GLY 8 2HA GLY 8 8.485 6.975 -3.535 200 H SER 9 H SER 9 6.774 5.216 -3.784 201 HA SER 9 HA SER 9 3.981 6.097 -3.759 202 1HB SER 9 1HB SER 9 5.567 5.845 -6.309 203 2HB SER 9 2HB SER 9 3.833 5.531 -6.296 204 HG SER 9 HG SER 9 3.785 7.669 -5.127 205 H GLU 10 H GLU 10 5.823 3.873 -2.808 206 HA GLU 10 HA GLU 10 4.749 1.528 -4.249 207 1HB GLU 10 1HB GLU 10 6.771 1.913 -2.050 208 2HB GLU 10 2HB GLU 10 6.126 0.313 -2.413 209 1HG GLU 10 1HG GLU 10 6.775 1.396 -4.913 210 2HG GLU 10 2HG GLU 10 8.114 1.860 -3.863 211 H LEU 11 H LEU 11 3.969 3.450 -1.498 212 HA LEU 11 HA LEU 11 2.762 1.485 0.179 213 1HB LEU 11 1HB LEU 11 3.221 4.012 0.610 214 2HB LEU 11 2HB LEU 11 1.657 4.266 -0.157 215 HG LEU 11 HG LEU 11 1.229 4.106 2.197 216 1HD1 LEU 11 1HD1 LEU 11 -0.185 2.679 0.573 217 2HD1 LEU 11 2HD1 LEU 11 0.688 1.297 1.234 218 3HD1 LEU 11 3HD1 LEU 11 -0.301 2.304 2.293 219 1HD2 LEU 11 1HD2 LEU 11 3.516 2.917 2.546 220 2HD2 LEU 11 2HD2 LEU 11 2.195 2.516 3.642 221 3HD2 LEU 11 3HD2 LEU 11 2.603 1.426 2.317 222 H VAL 12 H VAL 12 1.391 3.481 -2.452 223 HA VAL 12 HA VAL 12 -1.263 2.554 -2.316 224 HB VAL 12 HB VAL 12 0.248 4.127 -4.073 225 1HG1 VAL 12 1HG1 VAL 12 0.686 2.116 -5.467 226 2HG1 VAL 12 2HG1 VAL 12 -1.053 1.869 -5.624 227 3HG1 VAL 12 3HG1 VAL 12 -0.301 3.309 -6.313 228 1HG2 VAL 12 1HG2 VAL 12 -2.547 3.466 -3.527 229 2HG2 VAL 12 2HG2 VAL 12 -1.811 5.030 -3.873 230 3HG2 VAL 12 3HG2 VAL 12 -2.285 3.969 -5.198 231 H GLU 13 H GLU 13 1.602 1.088 -3.746 232 HA GLU 13 HA GLU 13 0.385 -1.118 -5.054 233 1HB GLU 13 1HB GLU 13 2.919 -0.319 -4.848 234 2HB GLU 13 2HB GLU 13 2.941 -1.513 -3.549 235 1HG GLU 13 1HG GLU 13 2.171 -3.253 -5.072 236 2HG GLU 13 2HG GLU 13 1.993 -2.075 -6.374 237 H ALA 14 H ALA 14 1.464 -0.706 -1.695 238 HA ALA 14 HA ALA 14 0.812 -3.321 -0.773 239 1HB ALA 14 1HB ALA 14 1.104 -0.634 0.528 240 2HB ALA 14 2HB ALA 14 0.412 -1.960 1.462 241 3HB ALA 14 3HB ALA 14 2.037 -2.107 0.793 242 H LEU 15 H LEU 15 -1.120 -0.331 -0.896 243 HA LEU 15 HA LEU 15 -3.493 -1.527 0.216 244 1HB LEU 15 1HB LEU 15 -2.907 0.986 -1.331 245 2HB LEU 15 2HB LEU 15 -4.575 0.513 -1.012 246 HG LEU 15 HG LEU 15 -2.631 0.466 1.258 247 1HD1 LEU 15 1HD1 LEU 15 -2.887 2.751 -0.304 248 2HD1 LEU 15 2HD1 LEU 15 -4.052 3.009 0.995 249 3HD1 LEU 15 3HD1 LEU 15 -2.356 2.707 1.376 250 1HD2 LEU 15 1HD2 LEU 15 -5.360 0.011 0.941 251 2HD2 LEU 15 2HD2 LEU 15 -4.540 0.311 2.477 252 3HD2 LEU 15 3HD2 LEU 15 -5.292 1.646 1.603 253 H GLU 16 H GLU 16 -2.001 -1.750 -2.870 254 HA GLU 16 HA GLU 16 -4.402 -2.239 -4.421 255 1HB GLU 16 1HB GLU 16 -1.483 -2.894 -4.873 256 2HB GLU 16 2HB GLU 16 -2.742 -3.341 -6.023 257 1HG GLU 16 1HG GLU 16 -3.352 -1.050 -6.382 258 2HG GLU 16 2HG GLU 16 -2.357 -0.510 -5.030 259 H LEU 17 H LEU 17 -1.957 -4.359 -2.912 260 HA LEU 17 HA LEU 17 -3.273 -6.824 -3.574 261 1HB LEU 17 1HB LEU 17 -1.002 -6.997 -2.885 262 2HB LEU 17 2HB LEU 17 -1.280 -6.019 -1.445 263 HG LEU 17 HG LEU 17 -2.802 -7.851 -0.598 264 1HD1 LEU 17 1HD1 LEU 17 -2.060 -8.929 -3.239 265 2HD1 LEU 17 2HD1 LEU 17 -1.907 -10.087 -1.918 266 3HD1 LEU 17 3HD1 LEU 17 -3.454 -9.299 -2.224 267 1HD2 LEU 17 1HD2 LEU 17 0.073 -7.769 -0.763 268 2HD2 LEU 17 2HD2 LEU 17 -0.935 -8.369 0.554 269 3HD2 LEU 17 3HD2 LEU 17 -0.463 -9.450 -0.759 270 H VAL 18 H VAL 18 -3.635 -4.488 -0.986 271 HA VAL 18 HA VAL 18 -5.055 -5.854 0.960 272 HB VAL 18 HB VAL 18 -5.399 -3.084 -0.183 273 1HG1 VAL 18 1HG1 VAL 18 -7.148 -4.532 1.749 274 2HG1 VAL 18 2HG1 VAL 18 -6.739 -2.857 2.122 275 3HG1 VAL 18 3HG1 VAL 18 -7.551 -3.251 0.607 276 1HG2 VAL 18 1HG2 VAL 18 -3.393 -3.646 1.182 277 2HG2 VAL 18 2HG2 VAL 18 -4.413 -2.436 1.958 278 3HG2 VAL 18 3HG2 VAL 18 -4.456 -4.111 2.509 279 H CYS 19 H CYS 19 -6.666 -4.154 -1.752 280 HA CYS 19 HA CYS 19 -8.757 -6.286 -1.659 281 1HB CYS 19 1HB CYS 19 -8.994 -3.418 -1.362 282 2HB CYS 19 2HB CYS 19 -9.881 -3.954 -2.794 283 H GLY 20 H GLY 20 -6.850 -4.073 -3.637 284 1HA GLY 20 1HA GLY 20 -6.417 -4.051 -5.944 285 2HA GLY 20 2HA GLY 20 -6.486 -5.807 -5.799 286 H GLU 21 H GLU 21 -8.514 -6.869 -6.216 287 HA GLU 21 HA GLU 21 -9.997 -5.817 -8.394 288 1HB GLU 21 1HB GLU 21 -10.639 -7.996 -6.391 289 2HB GLU 21 2HB GLU 21 -11.673 -7.636 -7.773 290 1HG GLU 21 1HG GLU 21 -9.783 -8.043 -9.303 291 2HG GLU 21 2HG GLU 21 -8.740 -8.395 -7.925 292 H ARG 22 H ARG 22 -11.299 -6.387 -5.101 293 HA ARG 22 HA ARG 22 -13.613 -4.789 -5.453 294 1HB ARG 22 1HB ARG 22 -12.071 -5.762 -3.076 295 2HB ARG 22 2HB ARG 22 -13.335 -4.556 -2.830 296 1HG ARG 22 1HG ARG 22 -14.859 -6.091 -4.204 297 2HG ARG 22 2HG ARG 22 -13.612 -7.325 -4.014 298 1HD ARG 22 1HD ARG 22 -14.556 -5.874 -1.571 299 2HD ARG 22 2HD ARG 22 -15.594 -7.123 -2.259 300 HE ARG 22 HE ARG 22 -13.096 -8.324 -2.119 301 1HH1 ARG 22 1HH1 ARG 22 -15.223 -6.688 0.055 302 2HH1 ARG 22 2HH1 ARG 22 -14.694 -7.575 1.444 303 1HH2 ARG 22 1HH2 ARG 22 -12.398 -9.485 -0.317 304 2HH2 ARG 22 2HH2 ARG 22 -13.096 -9.155 1.235 305 H GLY 23 H GLY 23 -10.309 -3.894 -4.825 306 1HA GLY 23 1HA GLY 23 -9.391 -1.709 -5.062 307 2HA GLY 23 2HA GLY 23 -11.030 -1.056 -5.124 308 H PHE 24 H PHE 24 -9.307 0.308 -3.540 309 HA PHE 24 HA PHE 24 -10.281 -0.404 -0.813 310 1HB PHE 24 1HB PHE 24 -7.970 0.479 -0.013 311 2HB PHE 24 2HB PHE 24 -8.040 -1.156 -0.663 312 HD1 PHE 24 HD1 PHE 24 -7.354 -1.580 -3.048 313 HD2 PHE 24 HD2 PHE 24 -6.760 2.213 -1.124 314 HE1 PHE 24 HE1 PHE 24 -5.738 -0.941 -4.808 315 HE2 PHE 24 HE2 PHE 24 -5.144 2.854 -2.883 316 HZ PHE 24 HZ PHE 24 -4.629 1.279 -4.729 317 H PHE 25 H PHE 25 -9.284 1.663 0.617 318 HA PHE 25 HA PHE 25 -10.132 4.126 -0.856 319 1HB PHE 25 1HB PHE 25 -10.934 3.131 1.868 320 2HB PHE 25 2HB PHE 25 -10.937 4.857 1.511 321 HD1 PHE 25 HD1 PHE 25 -11.953 1.717 -0.267 322 HD2 PHE 25 HD2 PHE 25 -12.999 5.710 0.889 323 HE1 PHE 25 HE1 PHE 25 -14.135 1.472 -1.423 324 HE2 PHE 25 HE2 PHE 25 -15.185 5.473 -0.264 325 HZ PHE 25 HZ PHE 25 -15.752 3.353 -1.420 326 H TYR 26 H TYR 26 -8.031 4.943 -1.161 327 HA TYR 26 HA TYR 26 -6.045 4.871 0.951 328 1HB TYR 26 1HB TYR 26 -5.908 5.292 -1.746 329 2HB TYR 26 2HB TYR 26 -5.743 6.940 -1.136 330 HD1 TYR 26 HD1 TYR 26 -4.443 6.326 1.509 331 HD2 TYR 26 HD2 TYR 26 -3.692 4.826 -2.436 332 HE1 TYR 26 HE1 TYR 26 -2.103 5.846 2.146 333 HE2 TYR 26 HE2 TYR 26 -1.346 4.340 -1.806 334 HH TYR 26 HH TYR 26 -0.014 5.390 1.275 335 H GLU 27 H GLU 27 -6.529 5.966 2.799 336 HA GLU 27 HA GLU 27 -6.722 8.874 2.696 337 1HB GLU 27 1HB GLU 27 -9.137 7.341 2.729 338 2HB GLU 27 2HB GLU 27 -8.955 8.105 4.308 339 1HG GLU 27 1HG GLU 27 -8.900 10.274 3.389 340 2HG GLU 27 2HG GLU 27 -8.518 9.677 1.774 341 HA PRO 28 HA PRO 28 -4.544 6.940 6.299 342 1HB PRO 28 1HB PRO 28 -2.766 9.205 6.157 343 2HB PRO 28 2HB PRO 28 -2.401 7.505 5.832 344 1HG PRO 28 1HG PRO 28 -2.640 9.634 3.925 345 2HG PRO 28 2HG PRO 28 -2.330 7.923 3.602 346 1HD PRO 28 1HD PRO 28 -4.752 9.408 3.110 347 2HD PRO 28 2HD PRO 28 -4.425 7.702 2.761 348 H LYS 29 H LYS 29 -4.522 7.742 8.472 349 HA LYS 29 HA LYS 29 -6.580 9.457 9.269 350 1HB LYS 29 1HB LYS 29 -5.105 9.783 11.382 351 2HB LYS 29 2HB LYS 29 -5.610 8.143 10.973 352 1HG LYS 29 1HG LYS 29 -3.139 8.902 9.614 353 2HG LYS 29 2HG LYS 29 -2.987 8.985 11.369 354 1HD LYS 29 1HD LYS 29 -4.447 6.613 10.698 355 2HD LYS 29 2HD LYS 29 -2.975 6.659 9.725 356 1HE LYS 29 1HE LYS 29 -1.580 6.637 11.590 357 2HE LYS 29 2HE LYS 29 -2.813 7.321 12.648 358 1HZ LYS 29 1HZ LYS 29 -3.557 4.790 11.511 359 2HZ LYS 29 2HZ LYS 29 -2.167 4.698 12.483 360 3HZ LYS 29 3HZ LYS 29 -3.612 5.312 13.127 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -3.923 8.283 7.954 2 2H GLY 1 2H GLY 1 -3.180 9.546 8.816 3 3H GLY 1 3H GLY 1 -2.778 9.280 7.191 4 1HA GLY 1 1HA GLY 1 -1.004 8.406 8.462 5 2HA GLY 1 2HA GLY 1 -2.137 7.556 9.515 6 H ILE 2 H ILE 2 -1.771 7.833 5.957 7 HA ILE 2 HA ILE 2 -1.279 4.939 5.788 8 HB ILE 2 HB ILE 2 -3.791 5.233 5.905 9 1HG1 ILE 2 1HG1 ILE 2 -4.131 3.908 3.677 10 2HG1 ILE 2 2HG1 ILE 2 -2.375 4.012 3.539 11 1HG2 ILE 2 1HG2 ILE 2 -3.211 6.713 3.334 12 2HG2 ILE 2 2HG2 ILE 2 -4.797 6.037 3.701 13 3HG2 ILE 2 3HG2 ILE 2 -4.111 7.287 4.737 14 1HD1 ILE 2 1HD1 ILE 2 -3.683 3.045 6.079 15 2HD1 ILE 2 2HD1 ILE 2 -3.360 1.943 4.740 16 3HD1 ILE 2 3HD1 ILE 2 -2.028 2.788 5.529 17 H GLY 3 H GLY 3 0.236 7.301 5.068 18 1HA GLY 3 1HA GLY 3 0.111 7.332 2.100 19 2HA GLY 3 2HA GLY 3 1.110 8.397 3.096 20 H GLU 4 H GLU 4 2.768 7.093 4.476 21 HA GLU 4 HA GLU 4 3.661 4.574 3.364 22 1HB GLU 4 1HB GLU 4 5.307 5.244 1.963 23 2HB GLU 4 2HB GLU 4 4.440 6.777 1.934 24 1HG GLU 4 1HG GLU 4 5.821 7.258 4.105 25 2HG GLU 4 2HG GLU 4 6.891 6.013 3.456 26 H GLN 5 H GLN 5 2.989 6.011 5.945 27 HA GLN 5 HA GLN 5 5.116 6.562 7.618 28 1HB GLN 5 1HB GLN 5 2.588 4.989 8.108 29 2HB GLN 5 2HB GLN 5 3.755 5.254 9.404 30 1HG GLN 5 1HG GLN 5 3.626 7.744 8.791 31 2HG GLN 5 2HG GLN 5 2.194 7.322 7.851 32 1HE2 GLN 5 2HE2 GLN 5 0.367 6.275 9.086 33 2HE2 GLN 5 1HE2 GLN 5 0.190 6.616 10.739 34 H CYS 6 H CYS 6 3.893 3.301 6.848 35 HA CYS 6 HA CYS 6 5.739 1.783 8.317 36 1HB CYS 6 1HB CYS 6 3.841 0.804 7.086 37 2HB CYS 6 2HB CYS 6 4.627 1.194 5.558 38 H CYS 7 H CYS 7 7.941 1.653 8.201 39 HA CYS 7 HA CYS 7 9.276 1.907 5.582 40 1HB CYS 7 1HB CYS 7 9.019 4.241 6.608 41 2HB CYS 7 2HB CYS 7 10.146 3.701 7.852 42 H THR 8 H THR 8 9.553 1.382 9.080 43 HA THR 8 HA THR 8 12.156 0.529 9.384 44 HB THR 8 HB THR 8 11.427 -0.880 11.177 45 HG1 THR 8 HG1 THR 8 9.437 -1.788 11.225 46 1HG2 THR 8 1HG2 THR 8 10.570 1.718 10.914 47 2HG2 THR 8 2HG2 THR 8 9.067 0.873 11.284 48 3HG2 THR 8 3HG2 THR 8 10.438 0.761 12.389 49 H SER 9 H SER 9 9.648 -1.056 7.534 50 HA SER 9 HA SER 9 11.444 -2.626 6.007 51 1HB SER 9 1HB SER 9 11.275 -4.814 6.945 52 2HB SER 9 2HB SER 9 11.673 -3.764 8.298 53 HG SER 9 HG SER 9 9.941 -5.129 8.819 54 H ILE 10 H ILE 10 9.535 -4.983 6.011 55 HA ILE 10 HA ILE 10 7.441 -3.664 4.363 56 HB ILE 10 HB ILE 10 8.181 -6.597 4.615 57 1HG1 ILE 10 1HG1 ILE 10 8.829 -4.535 2.480 58 2HG1 ILE 10 2HG1 ILE 10 9.984 -5.275 3.590 59 1HG2 ILE 10 1HG2 ILE 10 5.792 -5.720 3.846 60 2HG2 ILE 10 2HG2 ILE 10 6.647 -5.419 2.333 61 3HG2 ILE 10 3HG2 ILE 10 6.583 -7.050 3.002 62 1HD1 ILE 10 1HD1 ILE 10 8.282 -7.091 1.935 63 2HD1 ILE 10 2HD1 ILE 10 9.611 -6.250 1.136 64 3HD1 ILE 10 3HD1 ILE 10 9.935 -7.314 2.504 65 H CYS 11 H CYS 11 5.873 -3.004 5.848 66 HA CYS 11 HA CYS 11 5.094 -4.437 8.179 67 1HB CYS 11 1HB CYS 11 3.527 -2.500 6.449 68 2HB CYS 11 2HB CYS 11 2.989 -3.074 8.029 69 H SER 12 H SER 12 3.395 -5.921 8.539 70 HA SER 12 HA SER 12 2.871 -7.806 6.462 71 1HB SER 12 1HB SER 12 0.992 -8.549 8.067 72 2HB SER 12 2HB SER 12 2.641 -8.604 8.682 73 HG SER 12 HG SER 12 1.986 -7.278 10.162 74 H LEU 13 H LEU 13 0.895 -8.187 5.290 75 HA LEU 13 HA LEU 13 -0.480 -5.708 4.551 76 1HB LEU 13 1HB LEU 13 -0.166 -8.402 3.439 77 2HB LEU 13 2HB LEU 13 -1.796 -7.750 3.250 78 HG LEU 13 HG LEU 13 -0.188 -7.171 1.372 79 1HD1 LEU 13 1HD1 LEU 13 -2.055 -5.525 2.819 80 2HD1 LEU 13 2HD1 LEU 13 -0.770 -4.509 2.165 81 3HD1 LEU 13 3HD1 LEU 13 -1.713 -5.540 1.089 82 1HD2 LEU 13 1HD2 LEU 13 1.423 -6.427 3.587 83 2HD2 LEU 13 2HD2 LEU 13 1.807 -6.248 1.875 84 3HD2 LEU 13 3HD2 LEU 13 1.010 -4.935 2.742 85 H TYR 14 H TYR 14 -1.212 -8.639 6.372 86 HA TYR 14 HA TYR 14 -3.992 -8.536 6.539 87 1HB TYR 14 1HB TYR 14 -1.852 -9.321 8.470 88 2HB TYR 14 2HB TYR 14 -3.512 -9.207 9.052 89 HD1 TYR 14 HD1 TYR 14 -1.245 -10.939 6.706 90 HD2 TYR 14 HD2 TYR 14 -5.236 -10.724 8.275 91 HE1 TYR 14 HE1 TYR 14 -1.766 -13.129 5.681 92 HE2 TYR 14 HE2 TYR 14 -5.757 -12.914 7.252 93 HH TYR 14 HH TYR 14 -4.909 -14.298 5.340 94 H GLN 15 H GLN 15 -1.645 -6.578 8.369 95 HA GLN 15 HA GLN 15 -3.576 -5.200 9.966 96 1HB GLN 15 1HB GLN 15 -0.717 -4.941 9.274 97 2HB GLN 15 2HB GLN 15 -1.513 -3.431 9.704 98 1HG GLN 15 1HG GLN 15 -2.388 -4.540 11.773 99 2HG GLN 15 2HG GLN 15 -1.434 -5.965 11.356 100 1HE2 GLN 15 2HE2 GLN 15 -1.150 -3.963 13.669 101 2HE2 GLN 15 1HE2 GLN 15 0.466 -3.451 13.577 102 H LEU 16 H LEU 16 -2.191 -4.577 6.769 103 HA LEU 16 HA LEU 16 -3.588 -2.013 6.498 104 1HB LEU 16 1HB LEU 16 -1.772 -3.682 4.790 105 2HB LEU 16 2HB LEU 16 -2.759 -2.445 4.018 106 HG LEU 16 HG LEU 16 -1.549 -0.728 4.922 107 1HD1 LEU 16 1HD1 LEU 16 -1.290 -2.478 7.376 108 2HD1 LEU 16 2HD1 LEU 16 -0.388 -0.972 7.208 109 3HD1 LEU 16 3HD1 LEU 16 -2.153 -0.947 7.214 110 1HD2 LEU 16 1HD2 LEU 16 0.122 -3.138 4.692 111 2HD2 LEU 16 2HD2 LEU 16 0.387 -1.520 4.041 112 3HD2 LEU 16 3HD2 LEU 16 0.828 -1.883 5.711 113 H GLU 17 H GLU 17 -4.605 -5.170 6.377 114 HA GLU 17 HA GLU 17 -6.227 -5.194 4.007 115 1HB GLU 17 1HB GLU 17 -6.218 -6.753 6.571 116 2HB GLU 17 2HB GLU 17 -7.546 -6.942 5.427 117 1HG GLU 17 1HG GLU 17 -5.660 -7.237 3.651 118 2HG GLU 17 2HG GLU 17 -4.629 -7.570 5.043 119 H ASN 18 H ASN 18 -6.631 -3.732 7.129 120 HA ASN 18 HA ASN 18 -9.483 -3.496 7.141 121 1HB ASN 18 1HB ASN 18 -7.508 -2.862 8.891 122 2HB ASN 18 2HB ASN 18 -7.947 -1.263 8.297 123 1HD2 ASN 18 2HD2 ASN 18 -10.685 -1.437 7.930 124 2HD2 ASN 18 1HD2 ASN 18 -11.459 -1.814 9.392 125 H TYR 19 H TYR 19 -7.002 -1.821 5.383 126 HA TYR 19 HA TYR 19 -8.759 0.441 4.715 127 1HB TYR 19 1HB TYR 19 -5.980 -0.321 3.779 128 2HB TYR 19 2HB TYR 19 -6.827 1.147 3.285 129 HD1 TYR 19 HD1 TYR 19 -7.861 2.554 5.298 130 HD2 TYR 19 HD2 TYR 19 -4.592 -0.209 5.652 131 HE1 TYR 19 HE1 TYR 19 -7.136 3.679 7.381 132 HE2 TYR 19 HE2 TYR 19 -3.867 0.912 7.734 133 HH TYR 19 HH TYR 19 -5.269 2.424 9.595 134 H CYS 20 H CYS 20 -9.036 -2.597 3.797 135 HA CYS 20 HA CYS 20 -8.903 -2.409 0.909 136 1HB CYS 20 1HB CYS 20 -8.871 -4.625 1.452 137 2HB CYS 20 2HB CYS 20 -9.828 -4.401 2.909 138 H ASN 21 H ASN 21 -10.936 -2.650 -0.435 139 HA ASN 21 HA ASN 21 -12.836 -0.545 0.384 140 1HB ASN 21 1HB ASN 21 -11.728 -1.123 -2.024 141 2HB ASN 21 2HB ASN 21 -13.247 -2.009 -2.165 142 1HD2 ASN 21 2HD2 ASN 21 -11.991 0.881 -2.987 143 2HD2 ASN 21 1HD2 ASN 21 -13.357 1.877 -2.824 144 1H GLU 1 1H GLU 1 10.190 -6.546 -9.273 145 2H GLU 1 2H GLU 1 8.919 -5.616 -9.910 146 3H GLU 1 3H GLU 1 10.512 -5.343 -10.428 147 HA GLU 1 HA GLU 1 10.448 -3.673 -8.942 148 1HB GLU 1 1HB GLU 1 7.973 -4.852 -8.377 149 2HB GLU 1 2HB GLU 1 8.807 -4.807 -6.823 150 1HG GLU 1 1HG GLU 1 8.092 -2.654 -6.726 151 2HG GLU 1 2HG GLU 1 9.409 -2.332 -7.857 152 H VAL 2 H VAL 2 11.857 -3.309 -7.195 153 HA VAL 2 HA VAL 2 13.130 -5.769 -6.102 154 HB VAL 2 HB VAL 2 14.575 -4.061 -7.217 155 1HG1 VAL 2 1HG1 VAL 2 12.966 -2.267 -5.805 156 2HG1 VAL 2 2HG1 VAL 2 14.525 -2.189 -4.983 157 3HG1 VAL 2 3HG1 VAL 2 14.422 -1.865 -6.714 158 1HG2 VAL 2 1HG2 VAL 2 14.901 -5.257 -4.627 159 2HG2 VAL 2 2HG2 VAL 2 16.139 -4.899 -5.830 160 3HG2 VAL 2 3HG2 VAL 2 15.699 -3.686 -4.627 161 H ASN 3 H ASN 3 13.017 -6.240 -3.929 162 HA ASN 3 HA ASN 3 12.171 -6.131 -1.739 163 1HB ASN 3 1HB ASN 3 13.213 -3.365 -2.298 164 2HB ASN 3 2HB ASN 3 12.384 -3.697 -0.775 165 1HD2 ASN 3 2HD2 ASN 3 14.397 -6.058 -2.537 166 2HD2 ASN 3 1HD2 ASN 3 15.601 -6.167 -1.346 167 H GLN 4 H GLN 4 10.656 -4.298 -0.383 168 HA GLN 4 HA GLN 4 8.498 -3.257 -2.047 169 1HB GLN 4 1HB GLN 4 8.322 -5.952 -1.425 170 2HB GLN 4 2HB GLN 4 7.363 -5.191 -0.155 171 1HG GLN 4 1HG GLN 4 5.682 -4.872 -1.613 172 2HG GLN 4 2HG GLN 4 6.744 -3.888 -2.620 173 1HE2 GLN 4 2HE2 GLN 4 5.258 -7.044 -2.294 174 2HE2 GLN 4 1HE2 GLN 4 5.866 -7.693 -3.740 175 H HIS 5 H HIS 5 10.278 -2.190 -0.059 176 HA HIS 5 HA HIS 5 9.079 -2.011 2.524 177 1HB HIS 5 1HB HIS 5 10.919 -0.144 1.013 178 2HB HIS 5 2HB HIS 5 10.418 0.148 2.680 179 HD1 HIS 5 HD1 HIS 5 13.357 -0.318 2.300 180 HD2 HIS 5 HD2 HIS 5 10.686 -3.466 2.872 181 HE1 HIS 5 HE1 HIS 5 14.721 -2.264 3.174 182 H LEU 6 H LEU 6 8.354 0.329 3.305 183 HA LEU 6 HA LEU 6 6.334 1.336 1.344 184 1HB LEU 6 1HB LEU 6 6.022 1.093 4.352 185 2HB LEU 6 2HB LEU 6 4.793 1.663 3.221 186 HG LEU 6 HG LEU 6 5.063 -0.595 2.036 187 1HD1 LEU 6 1HD1 LEU 6 6.924 -0.877 4.289 188 2HD1 LEU 6 2HD1 LEU 6 5.783 -2.215 4.154 189 3HD1 LEU 6 3HD1 LEU 6 6.825 -1.801 2.791 190 1HD2 LEU 6 1HD2 LEU 6 3.640 0.103 4.477 191 2HD2 LEU 6 2HD2 LEU 6 3.082 -0.836 3.093 192 3HD2 LEU 6 3HD2 LEU 6 3.964 -1.627 4.398 193 H CYS 7 H CYS 7 8.855 2.459 1.468 194 HA CYS 7 HA CYS 7 8.362 5.022 2.932 195 1HB CYS 7 1HB CYS 7 10.601 3.277 3.024 196 2HB CYS 7 2HB CYS 7 11.112 4.720 2.146 197 H GLY 8 H GLY 8 8.881 6.966 1.774 198 1HA GLY 8 1HA GLY 8 9.364 8.275 -0.145 199 2HA GLY 8 2HA GLY 8 9.781 6.796 -1.010 200 H SER 9 H SER 9 7.856 5.349 -1.536 201 HA SER 9 HA SER 9 5.188 6.402 -1.561 202 1HB SER 9 1HB SER 9 4.946 7.241 -3.737 203 2HB SER 9 2HB SER 9 6.521 7.874 -3.270 204 HG SER 9 HG SER 9 6.227 6.674 -5.386 205 H GLU 10 H GLU 10 6.515 3.910 -1.011 206 HA GLU 10 HA GLU 10 5.567 2.182 -3.252 207 1HB GLU 10 1HB GLU 10 7.495 1.689 -0.972 208 2HB GLU 10 2HB GLU 10 6.890 0.396 -2.008 209 1HG GLU 10 1HG GLU 10 7.957 1.253 -3.917 210 2HG GLU 10 2HG GLU 10 8.121 2.863 -3.217 211 H LEU 11 H LEU 11 4.488 3.388 -0.346 212 HA LEU 11 HA LEU 11 3.399 1.099 0.958 213 1HB LEU 11 1HB LEU 11 3.453 3.325 2.012 214 2HB LEU 11 2HB LEU 11 2.281 3.912 0.832 215 HG LEU 11 HG LEU 11 0.619 2.303 1.628 216 1HD1 LEU 11 1HD1 LEU 11 2.848 1.434 3.486 217 2HD1 LEU 11 2HD1 LEU 11 1.163 0.944 3.674 218 3HD1 LEU 11 3HD1 LEU 11 2.066 0.461 2.237 219 1HD2 LEU 11 1HD2 LEU 11 1.976 3.928 3.798 220 2HD2 LEU 11 2HD2 LEU 11 0.595 4.403 2.808 221 3HD2 LEU 11 3HD2 LEU 11 0.417 3.136 4.021 222 H VAL 12 H VAL 12 2.039 3.175 -1.612 223 HA VAL 12 HA VAL 12 -0.546 2.130 -1.755 224 HB VAL 12 HB VAL 12 0.987 3.796 -3.335 225 1HG1 VAL 12 1HG1 VAL 12 0.238 1.380 -5.003 226 2HG1 VAL 12 2HG1 VAL 12 0.813 2.922 -5.636 227 3HG1 VAL 12 3HG1 VAL 12 1.880 1.922 -4.651 228 1HG2 VAL 12 1HG2 VAL 12 -1.718 3.070 -2.991 229 2HG2 VAL 12 2HG2 VAL 12 -1.096 4.512 -3.793 230 3HG2 VAL 12 3HG2 VAL 12 -1.428 3.056 -4.730 231 H GLU 13 H GLU 13 2.466 0.768 -2.926 232 HA GLU 13 HA GLU 13 1.386 -1.487 -4.319 233 1HB GLU 13 1HB GLU 13 3.845 -0.578 -4.168 234 2HB GLU 13 2HB GLU 13 3.959 -1.649 -2.771 235 1HG GLU 13 1HG GLU 13 4.491 -3.243 -4.301 236 2HG GLU 13 2HG GLU 13 2.756 -3.283 -4.615 237 H ALA 14 H ALA 14 2.388 -1.074 -0.931 238 HA ALA 14 HA ALA 14 1.900 -3.747 -0.089 239 1HB ALA 14 1HB ALA 14 2.153 -1.097 1.222 240 2HB ALA 14 2HB ALA 14 1.293 -2.331 2.142 241 3HB ALA 14 3HB ALA 14 2.950 -2.621 1.609 242 H LEU 15 H LEU 15 -0.198 -0.878 0.068 243 HA LEU 15 HA LEU 15 -2.510 -2.236 1.030 244 1HB LEU 15 1HB LEU 15 -2.013 0.363 -0.392 245 2HB LEU 15 2HB LEU 15 -3.668 -0.184 -0.136 246 HG LEU 15 HG LEU 15 -1.867 -0.374 2.206 247 1HD1 LEU 15 1HD1 LEU 15 -1.906 2.007 0.706 248 2HD1 LEU 15 2HD1 LEU 15 -2.996 2.288 2.064 249 3HD1 LEU 15 3HD1 LEU 15 -1.325 1.806 2.358 250 1HD2 LEU 15 1HD2 LEU 15 -4.668 -0.334 1.582 251 2HD2 LEU 15 2HD2 LEU 15 -3.905 -0.616 3.148 252 3HD2 LEU 15 3HD2 LEU 15 -4.321 1.025 2.654 253 H GLU 16 H GLU 16 -1.094 -2.066 -2.156 254 HA GLU 16 HA GLU 16 -3.427 -2.625 -3.710 255 1HB GLU 16 1HB GLU 16 -0.494 -2.965 -4.083 256 2HB GLU 16 2HB GLU 16 -1.561 -3.882 -5.145 257 1HG GLU 16 1HG GLU 16 -2.661 -1.879 -5.900 258 2HG GLU 16 2HG GLU 16 -1.833 -0.903 -4.685 259 H LEU 17 H LEU 17 -1.436 -4.626 -1.658 260 HA LEU 17 HA LEU 17 -2.613 -7.123 -2.676 261 1HB LEU 17 1HB LEU 17 -0.284 -7.129 -1.882 262 2HB LEU 17 2HB LEU 17 -0.815 -6.584 -0.291 263 HG LEU 17 HG LEU 17 -2.083 -9.046 -1.416 264 1HD1 LEU 17 1HD1 LEU 17 0.355 -9.339 -1.827 265 2HD1 LEU 17 2HD1 LEU 17 0.662 -9.009 -0.122 266 3HD1 LEU 17 3HD1 LEU 17 -0.248 -10.444 -0.593 267 1HD2 LEU 17 1HD2 LEU 17 -2.101 -7.634 1.009 268 2HD2 LEU 17 2HD2 LEU 17 -2.782 -9.237 0.723 269 3HD2 LEU 17 3HD2 LEU 17 -1.135 -9.073 1.335 270 H VAL 18 H VAL 18 -3.195 -4.780 -0.176 271 HA VAL 18 HA VAL 18 -4.563 -6.158 1.797 272 HB VAL 18 HB VAL 18 -5.133 -3.497 0.483 273 1HG1 VAL 18 1HG1 VAL 18 -6.898 -5.060 2.215 274 2HG1 VAL 18 2HG1 VAL 18 -6.477 -3.500 2.920 275 3HG1 VAL 18 3HG1 VAL 18 -7.231 -3.574 1.327 276 1HG2 VAL 18 1HG2 VAL 18 -3.123 -3.768 1.909 277 2HG2 VAL 18 2HG2 VAL 18 -4.287 -2.660 2.636 278 3HG2 VAL 18 3HG2 VAL 18 -4.147 -4.314 3.233 279 H CYS 19 H CYS 19 -6.363 -4.685 -0.929 280 HA CYS 19 HA CYS 19 -8.136 -7.091 -0.856 281 1HB CYS 19 1HB CYS 19 -8.797 -4.348 -0.549 282 2HB CYS 19 2HB CYS 19 -9.386 -4.832 -2.141 283 H GLY 20 H GLY 20 -6.609 -4.631 -2.913 284 1HA GLY 20 1HA GLY 20 -5.774 -4.850 -5.099 285 2HA GLY 20 2HA GLY 20 -6.112 -6.576 -4.997 286 H GLU 21 H GLU 21 -8.360 -7.261 -5.406 287 HA GLU 21 HA GLU 21 -9.442 -6.100 -7.758 288 1HB GLU 21 1HB GLU 21 -10.881 -7.814 -5.709 289 2HB GLU 21 2HB GLU 21 -11.375 -7.563 -7.384 290 1HG GLU 21 1HG GLU 21 -9.584 -8.807 -8.237 291 2HG GLU 21 2HG GLU 21 -8.620 -8.601 -6.775 292 H ARG 22 H ARG 22 -11.346 -6.272 -4.747 293 HA ARG 22 HA ARG 22 -13.105 -4.194 -5.343 294 1HB ARG 22 1HB ARG 22 -11.981 -5.097 -2.685 295 2HB ARG 22 2HB ARG 22 -13.242 -3.869 -2.812 296 1HG ARG 22 1HG ARG 22 -13.643 -6.406 -4.326 297 2HG ARG 22 2HG ARG 22 -13.846 -6.459 -2.573 298 1HD ARG 22 1HD ARG 22 -15.114 -4.176 -3.990 299 2HD ARG 22 2HD ARG 22 -15.849 -5.761 -4.235 300 HE ARG 22 HE ARG 22 -15.482 -5.564 -1.479 301 1HH1 ARG 22 1HH1 ARG 22 -17.021 -3.729 -3.967 302 2HH1 ARG 22 2HH1 ARG 22 -18.242 -3.091 -2.920 303 1HH2 ARG 22 1HH2 ARG 22 -17.070 -4.738 -0.103 304 2HH2 ARG 22 2HH2 ARG 22 -18.270 -3.661 -0.735 305 H GLY 23 H GLY 23 -9.750 -3.970 -4.457 306 1HA GLY 23 1HA GLY 23 -8.378 -2.030 -4.689 307 2HA GLY 23 2HA GLY 23 -9.836 -1.069 -4.933 308 H PHE 24 H PHE 24 -8.707 0.396 -3.360 309 HA PHE 24 HA PHE 24 -9.604 -0.295 -0.617 310 1HB PHE 24 1HB PHE 24 -7.337 0.867 0.114 311 2HB PHE 24 2HB PHE 24 -7.385 -0.860 -0.230 312 HD1 PHE 24 HD1 PHE 24 -7.529 1.972 -2.663 313 HD2 PHE 24 HD2 PHE 24 -5.225 -1.290 -1.088 314 HE1 PHE 24 HE1 PHE 24 -5.860 2.287 -4.458 315 HE2 PHE 24 HE2 PHE 24 -3.552 -0.972 -2.883 316 HZ PHE 24 HZ PHE 24 -3.866 0.815 -4.575 317 H PHE 25 H PHE 25 -9.132 1.784 0.811 318 HA PHE 25 HA PHE 25 -10.275 4.057 -0.715 319 1HB PHE 25 1HB PHE 25 -11.439 4.486 1.186 320 2HB PHE 25 2HB PHE 25 -10.807 2.974 1.825 321 HD1 PHE 25 HD1 PHE 25 -8.628 3.008 3.137 322 HD2 PHE 25 HD2 PHE 25 -10.759 6.580 2.069 323 HE1 PHE 25 HE1 PHE 25 -7.371 4.279 4.859 324 HE2 PHE 25 HE2 PHE 25 -9.502 7.846 3.793 325 HZ PHE 25 HZ PHE 25 -7.809 6.692 5.189 326 H TYR 26 H TYR 26 -7.369 3.050 -0.597 327 HA TYR 26 HA TYR 26 -5.525 4.493 0.726 328 1HB TYR 26 1HB TYR 26 -5.248 3.028 -1.420 329 2HB TYR 26 2HB TYR 26 -5.289 4.577 -2.267 330 HD1 TYR 26 HD1 TYR 26 -3.908 3.688 1.089 331 HD2 TYR 26 HD2 TYR 26 -3.075 5.044 -2.894 332 HE1 TYR 26 HE1 TYR 26 -1.570 4.121 1.732 333 HE2 TYR 26 HE2 TYR 26 -0.723 5.481 -2.251 334 HH TYR 26 HH TYR 26 0.884 4.500 -0.386 335 H GLU 27 H GLU 27 -6.267 6.460 1.508 336 HA GLU 27 HA GLU 27 -6.145 8.695 -0.457 337 1HB GLU 27 1HB GLU 27 -8.470 7.858 0.984 338 2HB GLU 27 2HB GLU 27 -7.930 9.388 1.677 339 1HG GLU 27 1HG GLU 27 -8.313 8.905 -1.291 340 2HG GLU 27 2HG GLU 27 -9.507 9.683 -0.249 341 HA PRO 28 HA PRO 28 -3.212 8.775 3.221 342 1HB PRO 28 1HB PRO 28 -1.416 10.008 1.290 343 2HB PRO 28 2HB PRO 28 -1.198 8.533 2.239 344 1HG PRO 28 1HG PRO 28 -1.774 8.706 -0.548 345 2HG PRO 28 2HG PRO 28 -1.702 7.239 0.439 346 1HD PRO 28 1HD PRO 28 -4.034 8.484 -0.699 347 2HD PRO 28 2HD PRO 28 -3.957 7.020 0.297 348 H LYS 29 H LYS 29 -3.353 10.574 4.507 349 HA LYS 29 HA LYS 29 -4.064 13.160 3.221 350 1HB LYS 29 1HB LYS 29 -4.542 13.824 5.647 351 2HB LYS 29 2HB LYS 29 -5.595 12.586 4.962 352 1HG LYS 29 1HG LYS 29 -3.136 11.555 6.239 353 2HG LYS 29 2HG LYS 29 -4.281 12.320 7.341 354 1HD LYS 29 1HD LYS 29 -5.062 10.200 5.323 355 2HD LYS 29 2HD LYS 29 -4.667 9.848 7.007 356 1HE LYS 29 1HE LYS 29 -6.848 11.752 6.106 357 2HE LYS 29 2HE LYS 29 -7.118 10.097 6.652 358 1HZ LYS 29 1HZ LYS 29 -5.634 11.062 8.646 359 2HZ LYS 29 2HZ LYS 29 -6.467 12.469 8.185 360 3HZ LYS 29 3HZ LYS 29 -7.334 11.084 8.641 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -0.193 8.547 7.283 2 2H GLY 1 2H GLY 1 -1.599 9.297 7.863 3 3H GLY 1 3H GLY 1 -0.183 9.312 8.800 4 1HA GLY 1 1HA GLY 1 -0.564 7.306 9.659 5 2HA GLY 1 2HA GLY 1 -2.209 7.537 9.063 6 H ILE 2 H ILE 2 -2.289 7.093 6.518 7 HA ILE 2 HA ILE 2 -0.953 4.450 6.124 8 HB ILE 2 HB ILE 2 -3.382 4.280 6.169 9 1HG1 ILE 2 1HG1 ILE 2 -3.135 4.117 3.260 10 2HG1 ILE 2 2HG1 ILE 2 -1.748 3.407 4.086 11 1HG2 ILE 2 1HG2 ILE 2 -3.144 6.641 4.352 12 2HG2 ILE 2 2HG2 ILE 2 -4.500 5.540 4.105 13 3HG2 ILE 2 3HG2 ILE 2 -4.289 6.344 5.661 14 1HD1 ILE 2 1HD1 ILE 2 -4.563 2.774 4.957 15 2HD1 ILE 2 2HD1 ILE 2 -3.794 1.882 3.646 16 3HD1 ILE 2 3HD1 ILE 2 -3.086 1.860 5.260 17 H GLY 3 H GLY 3 -0.363 7.500 5.347 18 1HA GLY 3 1HA GLY 3 -0.268 7.664 2.523 19 2HA GLY 3 2HA GLY 3 0.861 8.489 3.600 20 H GLU 4 H GLU 4 2.932 7.705 3.759 21 HA GLU 4 HA GLU 4 3.488 4.987 2.716 22 1HB GLU 4 1HB GLU 4 4.692 5.711 0.950 23 2HB GLU 4 2HB GLU 4 4.000 7.304 1.240 24 1HG GLU 4 1HG GLU 4 5.911 7.554 2.980 25 2HG GLU 4 2HG GLU 4 6.658 6.215 2.104 26 H GLN 5 H GLN 5 3.417 6.653 5.331 27 HA GLN 5 HA GLN 5 5.796 7.153 6.551 28 1HB GLN 5 1HB GLN 5 3.260 5.958 7.455 29 2HB GLN 5 2HB GLN 5 4.643 5.577 8.482 30 1HG GLN 5 1HG GLN 5 3.963 7.600 9.405 31 2HG GLN 5 2HG GLN 5 5.149 8.158 8.226 32 1HE2 GLN 5 2HE2 GLN 5 3.611 10.186 8.543 33 2HE2 GLN 5 1HE2 GLN 5 2.312 10.295 7.457 34 H CYS 6 H CYS 6 4.538 3.870 5.935 35 HA CYS 6 HA CYS 6 6.633 2.427 7.174 36 1HB CYS 6 1HB CYS 6 4.426 1.631 5.946 37 2HB CYS 6 2HB CYS 6 5.521 1.445 4.576 38 H CYS 7 H CYS 7 8.617 3.554 6.757 39 HA CYS 7 HA CYS 7 9.688 3.072 4.011 40 1HB CYS 7 1HB CYS 7 9.089 5.503 4.405 41 2HB CYS 7 2HB CYS 7 10.310 5.525 5.679 42 H THR 8 H THR 8 10.347 3.542 7.459 43 HA THR 8 HA THR 8 13.117 2.566 7.121 44 HB THR 8 HB THR 8 13.446 3.166 9.397 45 HG1 THR 8 HG1 THR 8 10.674 2.806 9.509 46 1HG2 THR 8 1HG2 THR 8 12.609 5.006 7.616 47 2HG2 THR 8 2HG2 THR 8 11.357 5.206 8.842 48 3HG2 THR 8 3HG2 THR 8 13.054 5.420 9.272 49 H SER 9 H SER 9 10.928 0.790 6.443 50 HA SER 9 HA SER 9 11.776 -1.620 7.643 51 1HB SER 9 1HB SER 9 9.321 -1.790 8.856 52 2HB SER 9 2HB SER 9 10.819 -1.411 9.700 53 HG SER 9 HG SER 9 8.857 0.356 8.674 54 H ILE 10 H ILE 10 9.417 -3.127 7.560 55 HA ILE 10 HA ILE 10 8.266 -2.466 4.891 56 HB ILE 10 HB ILE 10 10.173 -4.314 5.051 57 1HG1 ILE 10 1HG1 ILE 10 7.785 -5.166 3.480 58 2HG1 ILE 10 2HG1 ILE 10 8.464 -3.570 3.164 59 1HG2 ILE 10 1HG2 ILE 10 8.980 -5.629 6.798 60 2HG2 ILE 10 2HG2 ILE 10 7.662 -5.899 5.657 61 3HG2 ILE 10 3HG2 ILE 10 9.263 -6.561 5.327 62 1HD1 ILE 10 1HD1 ILE 10 10.047 -6.153 3.158 63 2HD1 ILE 10 2HD1 ILE 10 9.483 -5.313 1.714 64 3HD1 ILE 10 3HD1 ILE 10 10.671 -4.550 2.770 65 H CYS 11 H CYS 11 6.110 -2.276 5.152 66 HA CYS 11 HA CYS 11 4.792 -3.586 7.446 67 1HB CYS 11 1HB CYS 11 3.775 -1.635 5.356 68 2HB CYS 11 2HB CYS 11 2.812 -2.245 6.705 69 H SER 12 H SER 12 4.241 -5.687 7.096 70 HA SER 12 HA SER 12 3.962 -7.060 4.705 71 1HB SER 12 1HB SER 12 2.233 -8.487 5.982 72 2HB SER 12 2HB SER 12 3.839 -8.347 6.691 73 HG SER 12 HG SER 12 1.718 -6.583 7.330 74 H LEU 13 H LEU 13 2.479 -7.103 3.068 75 HA LEU 13 HA LEU 13 0.579 -5.038 2.715 76 1HB LEU 13 1HB LEU 13 1.003 -7.722 1.447 77 2HB LEU 13 2HB LEU 13 -0.423 -6.770 1.032 78 HG LEU 13 HG LEU 13 1.563 -4.876 0.948 79 1HD1 LEU 13 1HD1 LEU 13 2.676 -7.494 -0.095 80 2HD1 LEU 13 2HD1 LEU 13 3.381 -5.908 -0.405 81 3HD1 LEU 13 3HD1 LEU 13 3.319 -6.538 1.241 82 1HD2 LEU 13 1HD2 LEU 13 0.470 -6.667 -1.234 83 2HD2 LEU 13 2HD2 LEU 13 -0.160 -5.103 -0.718 84 3HD2 LEU 13 3HD2 LEU 13 1.392 -5.196 -1.547 85 H TYR 14 H TYR 14 0.157 -8.350 3.923 86 HA TYR 14 HA TYR 14 -2.618 -8.510 4.123 87 1HB TYR 14 1HB TYR 14 -1.296 -10.403 4.765 88 2HB TYR 14 2HB TYR 14 -0.470 -9.482 6.021 89 HD1 TYR 14 HD1 TYR 14 -3.680 -11.046 5.038 90 HD2 TYR 14 HD2 TYR 14 -1.494 -9.078 8.168 91 HE1 TYR 14 HE1 TYR 14 -5.424 -11.700 6.668 92 HE2 TYR 14 HE2 TYR 14 -3.236 -9.733 9.797 93 HH TYR 14 HH TYR 14 -6.253 -10.756 8.956 94 H GLN 15 H GLN 15 -0.402 -6.644 6.150 95 HA GLN 15 HA GLN 15 -2.319 -6.000 8.192 96 1HB GLN 15 1HB GLN 15 0.381 -5.087 7.348 97 2HB GLN 15 2HB GLN 15 -0.571 -3.952 8.295 98 1HG GLN 15 1HG GLN 15 -0.940 -6.420 9.565 99 2HG GLN 15 2HG GLN 15 0.774 -6.374 9.155 100 1HE2 GLN 15 2HE2 GLN 15 -1.543 -5.270 11.418 101 2HE2 GLN 15 1HE2 GLN 15 -0.581 -4.103 12.188 102 H LEU 16 H LEU 16 -1.302 -4.408 5.182 103 HA LEU 16 HA LEU 16 -2.956 -2.063 5.575 104 1HB LEU 16 1HB LEU 16 -1.284 -3.212 3.408 105 2HB LEU 16 2HB LEU 16 -2.599 -2.168 2.882 106 HG LEU 16 HG LEU 16 -1.723 -0.291 3.935 107 1HD1 LEU 16 1HD1 LEU 16 -0.655 -2.291 5.862 108 2HD1 LEU 16 2HD1 LEU 16 0.309 -0.829 5.647 109 3HD1 LEU 16 3HD1 LEU 16 -1.372 -0.709 6.167 110 1HD2 LEU 16 1HD2 LEU 16 0.291 -2.084 2.746 111 2HD2 LEU 16 2HD2 LEU 16 -0.048 -0.387 2.403 112 3HD2 LEU 16 3HD2 LEU 16 0.971 -0.823 3.776 113 H GLU 17 H GLU 17 -3.682 -5.285 4.775 114 HA GLU 17 HA GLU 17 -5.804 -4.951 2.899 115 1HB GLU 17 1HB GLU 17 -5.090 -7.054 4.903 116 2HB GLU 17 2HB GLU 17 -6.644 -7.133 4.076 117 1HG GLU 17 1HG GLU 17 -5.467 -6.985 1.894 118 2HG GLU 17 2HG GLU 17 -3.924 -7.003 2.748 119 H ASN 18 H ASN 18 -5.630 -4.315 6.296 120 HA ASN 18 HA ASN 18 -8.378 -4.533 6.994 121 1HB ASN 18 1HB ASN 18 -6.204 -2.693 8.018 122 2HB ASN 18 2HB ASN 18 -7.797 -2.827 8.763 123 1HD2 ASN 18 2HD2 ASN 18 -6.189 -3.593 10.617 124 2HD2 ASN 18 1HD2 ASN 18 -5.897 -5.263 10.683 125 H TYR 19 H TYR 19 -6.732 -2.199 5.025 126 HA TYR 19 HA TYR 19 -9.028 -0.318 5.237 127 1HB TYR 19 1HB TYR 19 -6.506 0.122 3.641 128 2HB TYR 19 2HB TYR 19 -7.624 1.331 4.275 129 HD1 TYR 19 HD1 TYR 19 -7.918 1.385 6.878 130 HD2 TYR 19 HD2 TYR 19 -4.592 -0.443 4.867 131 HE1 TYR 19 HE1 TYR 19 -6.587 1.516 8.959 132 HE2 TYR 19 HE2 TYR 19 -3.260 -0.311 6.947 133 HH TYR 19 HH TYR 19 -4.552 1.270 9.860 134 H CYS 20 H CYS 20 -8.972 -2.981 3.706 135 HA CYS 20 HA CYS 20 -9.189 -2.089 0.916 136 1HB CYS 20 1HB CYS 20 -8.598 -4.232 0.603 137 2HB CYS 20 2HB CYS 20 -8.843 -4.603 2.300 138 H ASN 21 H ASN 21 -11.188 -2.295 -0.300 139 HA ASN 21 HA ASN 21 -13.443 -1.138 0.995 140 1HB ASN 21 1HB ASN 21 -12.727 -1.866 -1.650 141 2HB ASN 21 2HB ASN 21 -14.270 -2.653 -1.311 142 1HD2 ASN 21 2HD2 ASN 21 -13.107 0.111 -2.622 143 2HD2 ASN 21 1HD2 ASN 21 -14.341 1.197 -2.195 144 1H GLU 1 1H GLU 1 15.899 -9.111 2.733 145 2H GLU 1 2H GLU 1 15.412 -9.067 4.357 146 3H GLU 1 3H GLU 1 15.976 -10.519 3.681 147 HA GLU 1 HA GLU 1 13.853 -11.034 3.330 148 1HB GLU 1 1HB GLU 1 13.586 -8.283 4.293 149 2HB GLU 1 2HB GLU 1 12.321 -8.726 3.146 150 1HG GLU 1 1HG GLU 1 11.283 -9.825 4.813 151 2HG GLU 1 2HG GLU 1 12.629 -10.964 4.826 152 H VAL 2 H VAL 2 12.287 -10.963 1.513 153 HA VAL 2 HA VAL 2 13.530 -9.713 -0.902 154 HB VAL 2 HB VAL 2 12.480 -11.481 -2.202 155 1HG1 VAL 2 1HG1 VAL 2 14.578 -11.848 -0.539 156 2HG1 VAL 2 2HG1 VAL 2 13.487 -13.082 0.091 157 3HG1 VAL 2 3HG1 VAL 2 13.970 -13.116 -1.604 158 1HG2 VAL 2 1HG2 VAL 2 10.445 -11.538 -0.620 159 2HG2 VAL 2 2HG2 VAL 2 10.984 -13.082 -1.281 160 3HG2 VAL 2 3HG2 VAL 2 11.402 -12.636 0.374 161 H ASN 3 H ASN 3 11.322 -8.846 1.191 162 HA ASN 3 HA ASN 3 8.989 -8.464 -0.537 163 1HB ASN 3 1HB ASN 3 9.732 -7.765 2.276 164 2HB ASN 3 2HB ASN 3 8.437 -6.848 1.506 165 1HD2 ASN 3 2HD2 ASN 3 9.048 -10.225 0.639 166 2HD2 ASN 3 1HD2 ASN 3 7.639 -10.848 1.352 167 H GLN 4 H GLN 4 8.242 -5.839 -0.049 168 HA GLN 4 HA GLN 4 10.464 -4.282 -1.318 169 1HB GLN 4 1HB GLN 4 7.482 -4.181 -1.844 170 2HB GLN 4 2HB GLN 4 8.627 -2.991 -2.464 171 1HG GLN 4 1HG GLN 4 9.230 -5.880 -2.932 172 2HG GLN 4 2HG GLN 4 7.955 -5.135 -3.898 173 1HE2 GLN 4 2HE2 GLN 4 11.005 -5.928 -4.360 174 2HE2 GLN 4 1HE2 GLN 4 11.601 -4.574 -5.190 175 H HIS 5 H HIS 5 10.351 -1.924 -0.885 176 HA HIS 5 HA HIS 5 9.406 -1.429 1.887 177 1HB HIS 5 1HB HIS 5 11.130 0.314 0.098 178 2HB HIS 5 2HB HIS 5 10.845 0.540 1.825 179 HD1 HIS 5 HD1 HIS 5 13.673 0.273 1.486 180 HD2 HIS 5 HD2 HIS 5 11.295 -3.152 1.424 181 HE1 HIS 5 HE1 HIS 5 15.212 -1.678 1.975 182 H LEU 6 H LEU 6 8.488 0.869 2.239 183 HA LEU 6 HA LEU 6 6.702 1.583 -0.053 184 1HB LEU 6 1HB LEU 6 5.940 1.886 2.854 185 2HB LEU 6 2HB LEU 6 4.889 1.964 1.446 186 HG LEU 6 HG LEU 6 4.505 -0.186 2.388 187 1HD1 LEU 6 1HD1 LEU 6 5.577 0.105 -0.159 188 2HD1 LEU 6 2HD1 LEU 6 6.488 -1.243 0.523 189 3HD1 LEU 6 3HD1 LEU 6 4.728 -1.317 0.449 190 1HD2 LEU 6 1HD2 LEU 6 6.912 0.079 3.592 191 2HD2 LEU 6 2HD2 LEU 6 6.072 -1.467 3.464 192 3HD2 LEU 6 3HD2 LEU 6 7.345 -1.059 2.315 193 H CYS 7 H CYS 7 8.392 3.152 -0.590 194 HA CYS 7 HA CYS 7 8.068 5.637 1.015 195 1HB CYS 7 1HB CYS 7 10.386 4.117 1.113 196 2HB CYS 7 2HB CYS 7 10.754 5.329 -0.115 197 H GLY 8 H GLY 8 9.280 7.477 -0.394 198 1HA GLY 8 1HA GLY 8 9.096 8.749 -2.358 199 2HA GLY 8 2HA GLY 8 9.503 7.249 -3.194 200 H SER 9 H SER 9 6.680 7.190 -1.216 201 HA SER 9 HA SER 9 4.384 7.283 -1.749 202 1HB SER 9 1HB SER 9 3.687 8.655 -3.461 203 2HB SER 9 2HB SER 9 5.355 9.210 -3.351 204 HG SER 9 HG SER 9 5.489 8.580 -5.347 205 H GLU 10 H GLU 10 5.845 4.897 -1.917 206 HA GLU 10 HA GLU 10 4.725 3.608 -4.370 207 1HB GLU 10 1HB GLU 10 7.085 2.906 -2.614 208 2HB GLU 10 2HB GLU 10 6.405 1.768 -3.779 209 1HG GLU 10 1HG GLU 10 6.690 3.580 -5.540 210 2HG GLU 10 2HG GLU 10 7.631 4.476 -4.346 211 H LEU 11 H LEU 11 3.804 4.103 -1.313 212 HA LEU 11 HA LEU 11 3.271 1.406 -0.390 213 1HB LEU 11 1HB LEU 11 3.358 3.409 1.122 214 2HB LEU 11 2HB LEU 11 1.844 3.960 0.405 215 HG LEU 11 HG LEU 11 0.860 1.697 1.040 216 1HD1 LEU 11 1HD1 LEU 11 3.427 1.592 2.658 217 2HD1 LEU 11 2HD1 LEU 11 2.048 0.515 2.888 218 3HD1 LEU 11 3HD1 LEU 11 2.950 0.478 1.374 219 1HD2 LEU 11 1HD2 LEU 11 1.842 3.583 3.203 220 2HD2 LEU 11 2HD2 LEU 11 0.311 3.676 2.335 221 3HD2 LEU 11 3HD2 LEU 11 0.609 2.350 3.456 222 H VAL 12 H VAL 12 1.807 3.453 -2.729 223 HA VAL 12 HA VAL 12 -0.901 2.612 -2.554 224 HB VAL 12 HB VAL 12 0.652 4.199 -4.294 225 1HG1 VAL 12 1HG1 VAL 12 0.891 2.185 -5.754 226 2HG1 VAL 12 2HG1 VAL 12 -0.867 2.104 -5.870 227 3HG1 VAL 12 3HG1 VAL 12 -0.003 3.494 -6.527 228 1HG2 VAL 12 1HG2 VAL 12 -2.291 3.475 -4.386 229 2HG2 VAL 12 2HG2 VAL 12 -1.566 4.734 -3.384 230 3HG2 VAL 12 3HG2 VAL 12 -1.564 4.894 -5.140 231 H GLU 13 H GLU 13 1.903 1.145 -4.164 232 HA GLU 13 HA GLU 13 0.529 -1.004 -5.438 233 1HB GLU 13 1HB GLU 13 2.954 -0.389 -5.779 234 2HB GLU 13 2HB GLU 13 3.298 -1.110 -4.205 235 1HG GLU 13 1HG GLU 13 3.240 -3.199 -5.055 236 2HG GLU 13 2HG GLU 13 1.704 -2.892 -5.868 237 H ALA 14 H ALA 14 1.932 -0.702 -2.191 238 HA ALA 14 HA ALA 14 1.356 -3.335 -1.275 239 1HB ALA 14 1HB ALA 14 2.690 -1.342 -0.166 240 2HB ALA 14 2HB ALA 14 1.129 -0.977 0.567 241 3HB ALA 14 3HB ALA 14 1.891 -2.541 0.850 242 H LEU 15 H LEU 15 -0.653 -0.489 -1.656 243 HA LEU 15 HA LEU 15 -2.877 -1.648 -0.131 244 1HB LEU 15 1HB LEU 15 -2.552 0.878 -1.760 245 2HB LEU 15 2HB LEU 15 -4.088 0.405 -1.033 246 HG LEU 15 HG LEU 15 -1.689 0.351 0.725 247 1HD1 LEU 15 1HD1 LEU 15 -1.635 2.515 -0.668 248 2HD1 LEU 15 2HD1 LEU 15 -3.129 2.948 0.162 249 3HD1 LEU 15 3HD1 LEU 15 -1.647 2.701 1.086 250 1HD2 LEU 15 1HD2 LEU 15 -4.274 -0.150 1.157 251 2HD2 LEU 15 2HD2 LEU 15 -3.276 0.625 2.389 252 3HD2 LEU 15 3HD2 LEU 15 -4.329 1.604 1.368 253 H GLU 16 H GLU 16 -1.722 -1.719 -3.374 254 HA GLU 16 HA GLU 16 -4.214 -2.099 -4.749 255 1HB GLU 16 1HB GLU 16 -1.357 -2.843 -5.348 256 2HB GLU 16 2HB GLU 16 -2.670 -3.346 -6.414 257 1HG GLU 16 1HG GLU 16 -3.393 -0.863 -6.371 258 2HG GLU 16 2HG GLU 16 -1.780 -0.547 -5.732 259 H LEU 17 H LEU 17 -2.020 -4.305 -3.075 260 HA LEU 17 HA LEU 17 -3.545 -6.683 -3.862 261 1HB LEU 17 1HB LEU 17 -1.212 -7.040 -3.498 262 2HB LEU 17 2HB LEU 17 -1.251 -6.173 -1.964 263 HG LEU 17 HG LEU 17 -2.781 -7.957 -1.068 264 1HD1 LEU 17 1HD1 LEU 17 -2.913 -8.662 -3.791 265 2HD1 LEU 17 2HD1 LEU 17 -2.019 -9.966 -3.009 266 3HD1 LEU 17 3HD1 LEU 17 -3.629 -9.533 -2.436 267 1HD2 LEU 17 1HD2 LEU 17 0.012 -8.554 -2.029 268 2HD2 LEU 17 2HD2 LEU 17 -0.542 -8.211 -0.389 269 3HD2 LEU 17 3HD2 LEU 17 -0.900 -9.769 -1.134 270 H VAL 18 H VAL 18 -3.586 -4.341 -1.312 271 HA VAL 18 HA VAL 18 -4.641 -5.659 0.871 272 HB VAL 18 HB VAL 18 -5.187 -2.953 -0.317 273 1HG1 VAL 18 1HG1 VAL 18 -6.940 -4.383 1.555 274 2HG1 VAL 18 2HG1 VAL 18 -6.337 -2.860 2.204 275 3HG1 VAL 18 3HG1 VAL 18 -7.223 -2.879 0.680 276 1HG2 VAL 18 1HG2 VAL 18 -3.909 -4.081 2.175 277 2HG2 VAL 18 2HG2 VAL 18 -3.139 -3.169 0.879 278 3HG2 VAL 18 3HG2 VAL 18 -4.247 -2.360 1.989 279 H CYS 19 H CYS 19 -6.931 -4.014 -1.310 280 HA CYS 19 HA CYS 19 -8.924 -6.086 -0.661 281 1HB CYS 19 1HB CYS 19 -9.139 -3.396 -1.132 282 2HB CYS 19 2HB CYS 19 -9.615 -4.063 -2.695 283 H GLY 20 H GLY 20 -7.602 -4.689 -3.692 284 1HA GLY 20 1HA GLY 20 -7.212 -5.718 -5.768 285 2HA GLY 20 2HA GLY 20 -7.143 -7.248 -4.894 286 H GLU 21 H GLU 21 -9.765 -4.880 -5.439 287 HA GLU 21 HA GLU 21 -11.258 -6.568 -7.217 288 1HB GLU 21 1HB GLU 21 -11.411 -7.313 -4.480 289 2HB GLU 21 2HB GLU 21 -12.943 -6.534 -4.881 290 1HG GLU 21 1HG GLU 21 -13.558 -8.502 -5.803 291 2HG GLU 21 2HG GLU 21 -12.416 -8.136 -7.098 292 H ARG 22 H ARG 22 -12.183 -4.552 -4.415 293 HA ARG 22 HA ARG 22 -13.696 -2.794 -6.282 294 1HB ARG 22 1HB ARG 22 -13.857 -3.448 -3.373 295 2HB ARG 22 2HB ARG 22 -14.335 -1.823 -3.863 296 1HG ARG 22 1HG ARG 22 -15.528 -3.492 -5.761 297 2HG ARG 22 2HG ARG 22 -15.739 -4.342 -4.231 298 1HD ARG 22 1HD ARG 22 -16.340 -1.402 -4.500 299 2HD ARG 22 2HD ARG 22 -17.554 -2.617 -4.885 300 HE ARG 22 HE ARG 22 -16.818 -1.719 -2.262 301 1HH1 ARG 22 1HH1 ARG 22 -17.506 -4.613 -4.014 302 2HH1 ARG 22 2HH1 ARG 22 -17.726 -5.570 -2.588 303 1HH2 ARG 22 1HH2 ARG 22 -17.116 -2.947 -0.407 304 2HH2 ARG 22 2HH2 ARG 22 -17.516 -4.626 -0.548 305 H GLY 23 H GLY 23 -10.892 -2.941 -4.271 306 1HA GLY 23 1HA GLY 23 -9.116 -1.259 -4.838 307 2HA GLY 23 2HA GLY 23 -10.388 -0.038 -4.785 308 H PHE 24 H PHE 24 -8.660 0.806 -3.149 309 HA PHE 24 HA PHE 24 -9.383 -0.272 -0.452 310 1HB PHE 24 1HB PHE 24 -7.020 0.864 0.091 311 2HB PHE 24 2HB PHE 24 -7.136 -0.806 -0.459 312 HD1 PHE 24 HD1 PHE 24 -7.054 -1.205 -3.032 313 HD2 PHE 24 HD2 PHE 24 -5.750 2.419 -1.130 314 HE1 PHE 24 HE1 PHE 24 -5.712 -0.639 -5.031 315 HE2 PHE 24 HE2 PHE 24 -4.408 2.984 -3.132 316 HZ PHE 24 HZ PHE 24 -4.386 1.456 -5.086 317 H PHE 25 H PHE 25 -8.715 1.558 1.246 318 HA PHE 25 HA PHE 25 -9.998 4.067 0.258 319 1HB PHE 25 1HB PHE 25 -9.724 2.892 3.039 320 2HB PHE 25 2HB PHE 25 -10.369 4.502 2.720 321 HD1 PHE 25 HD1 PHE 25 -12.346 4.678 1.053 322 HD2 PHE 25 HD2 PHE 25 -11.122 1.012 2.925 323 HE1 PHE 25 HE1 PHE 25 -14.570 3.690 0.572 324 HE2 PHE 25 HE2 PHE 25 -13.348 0.025 2.448 325 HZ PHE 25 HZ PHE 25 -15.071 1.363 1.270 326 H TYR 26 H TYR 26 -7.589 4.271 -0.616 327 HA TYR 26 HA TYR 26 -5.460 4.840 1.175 328 1HB TYR 26 1HB TYR 26 -5.560 4.649 -1.483 329 2HB TYR 26 2HB TYR 26 -5.675 6.407 -1.362 330 HD1 TYR 26 HD1 TYR 26 -4.068 7.101 0.918 331 HD2 TYR 26 HD2 TYR 26 -3.364 4.084 -2.051 332 HE1 TYR 26 HE1 TYR 26 -1.643 7.221 1.374 333 HE2 TYR 26 HE2 TYR 26 -0.934 4.199 -1.591 334 HH TYR 26 HH TYR 26 0.610 6.432 -0.416 335 H GLU 27 H GLU 27 -6.210 6.130 2.901 336 HA GLU 27 HA GLU 27 -6.436 9.008 2.238 337 1HB GLU 27 1HB GLU 27 -8.763 8.344 2.349 338 2HB GLU 27 2HB GLU 27 -8.485 7.460 3.849 339 1HG GLU 27 1HG GLU 27 -8.090 9.466 5.077 340 2HG GLU 27 2HG GLU 27 -7.949 10.425 3.602 341 HA PRO 28 HA PRO 28 -3.484 8.256 5.640 342 1HB PRO 28 1HB PRO 28 -2.377 10.830 5.022 343 2HB PRO 28 2HB PRO 28 -1.668 9.238 4.715 344 1HG PRO 28 1HG PRO 28 -2.785 11.072 2.794 345 2HG PRO 28 2HG PRO 28 -2.058 9.488 2.493 346 1HD PRO 28 1HD PRO 28 -4.841 10.199 2.363 347 2HD PRO 28 2HD PRO 28 -4.108 8.610 2.078 348 H LYS 29 H LYS 29 -4.495 8.646 7.566 349 HA LYS 29 HA LYS 29 -5.756 11.306 8.009 350 1HB LYS 29 1HB LYS 29 -6.147 9.579 10.252 351 2HB LYS 29 2HB LYS 29 -7.349 10.144 9.096 352 1HG LYS 29 1HG LYS 29 -7.500 7.818 8.874 353 2HG LYS 29 2HG LYS 29 -6.396 8.242 7.566 354 1HD LYS 29 1HD LYS 29 -4.998 6.713 8.487 355 2HD LYS 29 2HD LYS 29 -4.686 7.942 9.714 356 1HE LYS 29 1HE LYS 29 -6.745 7.012 10.937 357 2HE LYS 29 2HE LYS 29 -6.635 5.635 9.841 358 1HZ LYS 29 1HZ LYS 29 -4.304 5.366 10.570 359 2HZ LYS 29 2HZ LYS 29 -4.549 6.588 11.726 360 3HZ LYS 29 3HZ LYS 29 -5.427 5.136 11.820 Start of MODEL 10 1 1H GLY 1 1H GLY 1 1.108 5.128 8.781 2 2H GLY 1 2H GLY 1 0.769 6.469 9.768 3 3H GLY 1 3H GLY 1 0.686 4.902 10.412 4 1HA GLY 1 1HA GLY 1 -1.333 4.467 9.537 5 2HA GLY 1 2HA GLY 1 -1.456 6.225 9.620 6 H ILE 2 H ILE 2 -1.219 3.493 7.516 7 HA ILE 2 HA ILE 2 -1.137 3.327 5.169 8 HB ILE 2 HB ILE 2 -3.448 4.352 5.897 9 1HG1 ILE 2 1HG1 ILE 2 -2.938 4.832 3.007 10 2HG1 ILE 2 2HG1 ILE 2 -2.528 3.228 3.621 11 1HG2 ILE 2 1HG2 ILE 2 -2.117 6.651 4.442 12 2HG2 ILE 2 2HG2 ILE 2 -3.860 6.503 4.646 13 3HG2 ILE 2 3HG2 ILE 2 -2.821 6.673 6.058 14 1HD1 ILE 2 1HD1 ILE 2 -4.800 3.029 4.583 15 2HD1 ILE 2 2HD1 ILE 2 -5.207 4.617 3.929 16 3HD1 ILE 2 3HD1 ILE 2 -4.858 3.275 2.837 17 H GLY 3 H GLY 3 -1.111 5.106 3.103 18 1HA GLY 3 1HA GLY 3 0.263 6.635 1.960 19 2HA GLY 3 2HA GLY 3 0.633 7.365 3.524 20 H GLU 4 H GLU 4 2.842 7.423 2.308 21 HA GLU 4 HA GLU 4 4.260 4.847 2.284 22 1HB GLU 4 1HB GLU 4 5.334 7.644 1.828 23 2HB GLU 4 2HB GLU 4 6.150 6.130 1.435 24 1HG GLU 4 1HG GLU 4 5.117 6.093 -0.560 25 2HG GLU 4 2HG GLU 4 3.556 6.040 0.257 26 H GLN 5 H GLN 5 3.243 6.429 4.800 27 HA GLN 5 HA GLN 5 5.430 7.277 6.354 28 1HB GLN 5 1HB GLN 5 2.851 7.173 6.889 29 2HB GLN 5 2HB GLN 5 3.265 5.617 7.608 30 1HG GLN 5 1HG GLN 5 3.686 6.912 9.449 31 2HG GLN 5 2HG GLN 5 5.244 7.132 8.652 32 1HE2 GLN 5 2HE2 GLN 5 1.992 8.638 8.932 33 2HE2 GLN 5 1HE2 GLN 5 2.528 10.216 8.617 34 H CYS 6 H CYS 6 4.309 4.009 5.622 35 HA CYS 6 HA CYS 6 5.845 2.562 7.510 36 1HB CYS 6 1HB CYS 6 4.750 1.957 4.781 37 2HB CYS 6 2HB CYS 6 5.880 0.817 5.515 38 H CYS 7 H CYS 7 7.967 3.267 7.794 39 HA CYS 7 HA CYS 7 9.776 2.849 5.461 40 1HB CYS 7 1HB CYS 7 9.131 5.362 6.278 41 2HB CYS 7 2HB CYS 7 10.524 5.039 7.310 42 H THR 8 H THR 8 12.056 2.485 6.159 43 HA THR 8 HA THR 8 13.575 1.257 7.468 44 HB THR 8 HB THR 8 13.125 1.865 10.070 45 HG1 THR 8 HG1 THR 8 12.303 4.037 10.029 46 1HG2 THR 8 1HG2 THR 8 14.962 2.540 8.228 47 2HG2 THR 8 2HG2 THR 8 14.182 4.109 8.431 48 3HG2 THR 8 3HG2 THR 8 14.899 3.294 9.821 49 H SER 9 H SER 9 11.349 -0.237 6.718 50 HA SER 9 HA SER 9 11.379 -2.367 8.618 51 1HB SER 9 1HB SER 9 8.609 -1.651 8.743 52 2HB SER 9 2HB SER 9 9.751 -1.815 10.072 53 HG SER 9 HG SER 9 9.002 0.283 10.051 54 H ILE 10 H ILE 10 8.699 -3.345 8.065 55 HA ILE 10 HA ILE 10 8.432 -3.342 5.136 56 HB ILE 10 HB ILE 10 10.195 -5.074 5.703 57 1HG1 ILE 10 1HG1 ILE 10 7.624 -6.212 4.566 58 2HG1 ILE 10 2HG1 ILE 10 8.707 -5.146 3.666 59 1HG2 ILE 10 1HG2 ILE 10 8.501 -5.699 7.772 60 2HG2 ILE 10 2HG2 ILE 10 8.135 -6.972 6.608 61 3HG2 ILE 10 3HG2 ILE 10 9.788 -6.748 7.178 62 1HD1 ILE 10 1HD1 ILE 10 9.965 -7.491 4.992 63 2HD1 ILE 10 2HD1 ILE 10 8.933 -7.835 3.604 64 3HD1 ILE 10 3HD1 ILE 10 10.319 -6.759 3.427 65 H CYS 11 H CYS 11 6.542 -2.296 6.525 66 HA CYS 11 HA CYS 11 4.645 -3.539 8.021 67 1HB CYS 11 1HB CYS 11 4.109 -1.851 5.556 68 2HB CYS 11 2HB CYS 11 2.922 -2.203 6.814 69 H SER 12 H SER 12 3.791 -5.545 7.877 70 HA SER 12 HA SER 12 3.827 -7.191 5.569 71 1HB SER 12 1HB SER 12 1.604 -7.634 7.475 72 2HB SER 12 2HB SER 12 2.836 -8.756 6.908 73 HG SER 12 HG SER 12 3.187 -8.260 9.078 74 H LEU 13 H LEU 13 1.740 -8.049 4.506 75 HA LEU 13 HA LEU 13 0.254 -5.728 3.480 76 1HB LEU 13 1HB LEU 13 0.570 -8.601 2.719 77 2HB LEU 13 2HB LEU 13 -0.904 -7.780 2.211 78 HG LEU 13 HG LEU 13 0.786 -7.539 0.471 79 1HD1 LEU 13 1HD1 LEU 13 -0.713 -5.532 1.441 80 2HD1 LEU 13 2HD1 LEU 13 0.883 -4.843 1.742 81 3HD1 LEU 13 3HD1 LEU 13 0.413 -5.297 0.104 82 1HD2 LEU 13 1HD2 LEU 13 2.455 -6.523 2.778 83 2HD2 LEU 13 2HD2 LEU 13 2.831 -7.828 1.655 84 3HD2 LEU 13 3HD2 LEU 13 2.861 -6.153 1.103 85 H TYR 14 H TYR 14 -0.450 -8.717 5.290 86 HA TYR 14 HA TYR 14 -3.226 -8.575 5.470 87 1HB TYR 14 1HB TYR 14 -1.076 -9.602 7.217 88 2HB TYR 14 2HB TYR 14 -2.626 -9.311 8.003 89 HD1 TYR 14 HD1 TYR 14 -0.915 -11.178 5.303 90 HD2 TYR 14 HD2 TYR 14 -4.577 -10.629 7.476 91 HE1 TYR 14 HE1 TYR 14 -1.816 -13.258 4.310 92 HE2 TYR 14 HE2 TYR 14 -5.479 -12.707 6.484 93 HH TYR 14 HH TYR 14 -5.157 -14.299 4.941 94 H GLN 15 H GLN 15 -0.841 -6.534 7.056 95 HA GLN 15 HA GLN 15 -2.646 -5.316 8.931 96 1HB GLN 15 1HB GLN 15 0.034 -4.585 7.756 97 2HB GLN 15 2HB GLN 15 -0.809 -3.513 8.860 98 1HG GLN 15 1HG GLN 15 -0.265 -6.408 9.516 99 2HG GLN 15 2HG GLN 15 0.851 -5.112 9.944 100 1HE2 GLN 15 2HE2 GLN 15 0.012 -3.408 11.449 101 2HE2 GLN 15 1HE2 GLN 15 -1.269 -3.777 12.500 102 H LEU 16 H LEU 16 -1.407 -4.336 5.728 103 HA LEU 16 HA LEU 16 -2.963 -1.910 5.594 104 1HB LEU 16 1HB LEU 16 -1.341 -3.553 3.697 105 2HB LEU 16 2HB LEU 16 -2.509 -2.436 3.000 106 HG LEU 16 HG LEU 16 -1.374 -0.570 3.719 107 1HD1 LEU 16 1HD1 LEU 16 -0.661 -2.281 6.077 108 2HD1 LEU 16 2HD1 LEU 16 0.360 -0.891 5.712 109 3HD1 LEU 16 3HD1 LEU 16 -1.356 -0.661 6.043 110 1HD2 LEU 16 1HD2 LEU 16 0.378 -2.797 3.028 111 2HD2 LEU 16 2HD2 LEU 16 0.442 -1.115 2.497 112 3HD2 LEU 16 3HD2 LEU 16 1.207 -1.591 4.014 113 H GLU 17 H GLU 17 -3.821 -5.191 5.342 114 HA GLU 17 HA GLU 17 -5.860 -5.093 3.347 115 1HB GLU 17 1HB GLU 17 -5.425 -6.841 5.763 116 2HB GLU 17 2HB GLU 17 -6.827 -7.047 4.715 117 1HG GLU 17 1HG GLU 17 -5.051 -7.042 2.785 118 2HG GLU 17 2HG GLU 17 -3.920 -7.448 4.076 119 H ASN 18 H ASN 18 -5.763 -3.909 6.608 120 HA ASN 18 HA ASN 18 -8.566 -3.856 7.167 121 1HB ASN 18 1HB ASN 18 -6.235 -2.197 8.122 122 2HB ASN 18 2HB ASN 18 -7.880 -1.888 8.679 123 1HD2 ASN 18 2HD2 ASN 18 -5.367 -4.440 8.550 124 2HD2 ASN 18 1HD2 ASN 18 -5.967 -5.317 9.873 125 H TYR 19 H TYR 19 -6.587 -1.906 5.081 126 HA TYR 19 HA TYR 19 -8.675 0.189 4.899 127 1HB TYR 19 1HB TYR 19 -6.070 0.058 3.367 128 2HB TYR 19 2HB TYR 19 -7.076 1.476 3.674 129 HD1 TYR 19 HD1 TYR 19 -7.476 2.112 6.171 130 HD2 TYR 19 HD2 TYR 19 -4.307 -0.460 4.833 131 HE1 TYR 19 HE1 TYR 19 -6.245 2.536 8.274 132 HE2 TYR 19 HE2 TYR 19 -3.075 -0.037 6.936 133 HH TYR 19 HH TYR 19 -3.672 2.446 8.950 134 H CYS 20 H CYS 20 -8.808 -2.706 3.760 135 HA CYS 20 HA CYS 20 -8.792 -2.457 0.899 136 1HB CYS 20 1HB CYS 20 -8.854 -4.678 1.413 137 2HB CYS 20 2HB CYS 20 -9.775 -4.428 2.890 138 H ASN 21 H ASN 21 -10.836 -2.590 -0.428 139 HA ASN 21 HA ASN 21 -12.604 -0.380 0.356 140 1HB ASN 21 1HB ASN 21 -11.679 -0.857 -2.015 141 2HB ASN 21 2HB ASN 21 -12.923 -2.105 -2.101 142 1HD2 ASN 21 2HD2 ASN 21 -12.467 0.889 -3.189 143 2HD2 ASN 21 1HD2 ASN 21 -14.025 1.544 -3.031 144 1H GLU 1 1H GLU 1 12.370 -6.150 -2.110 145 2H GLU 1 2H GLU 1 13.965 -6.368 -2.652 146 3H GLU 1 3H GLU 1 12.941 -5.263 -3.438 147 HA GLU 1 HA GLU 1 12.969 -7.115 -4.839 148 1HB GLU 1 1HB GLU 1 13.932 -8.525 -2.847 149 2HB GLU 1 2HB GLU 1 12.242 -8.947 -2.569 150 1HG GLU 1 1HG GLU 1 12.699 -9.174 -5.362 151 2HG GLU 1 2HG GLU 1 14.038 -9.989 -4.554 152 H VAL 2 H VAL 2 11.076 -5.909 -5.477 153 HA VAL 2 HA VAL 2 8.776 -5.691 -5.872 154 HB VAL 2 HB VAL 2 8.807 -8.444 -4.625 155 1HG1 VAL 2 1HG1 VAL 2 6.597 -6.722 -4.990 156 2HG1 VAL 2 2HG1 VAL 2 6.527 -7.889 -6.311 157 3HG1 VAL 2 3HG1 VAL 2 6.555 -8.449 -4.639 158 1HG2 VAL 2 1HG2 VAL 2 8.831 -7.349 -7.439 159 2HG2 VAL 2 2HG2 VAL 2 9.934 -8.514 -6.707 160 3HG2 VAL 2 3HG2 VAL 2 8.282 -8.991 -7.102 161 H ASN 3 H ASN 3 7.975 -7.620 -3.116 162 HA ASN 3 HA ASN 3 6.367 -5.704 -1.867 163 1HB ASN 3 1HB ASN 3 7.901 -8.041 -0.732 164 2HB ASN 3 2HB ASN 3 6.829 -7.053 0.262 165 1HD2 ASN 3 2HD2 ASN 3 6.902 -9.283 -2.512 166 2HD2 ASN 3 1HD2 ASN 3 5.235 -9.601 -2.514 167 H GLN 4 H GLN 4 8.904 -6.591 0.290 168 HA GLN 4 HA GLN 4 10.537 -5.307 1.394 169 1HB GLN 4 1HB GLN 4 10.637 -4.462 -1.261 170 2HB GLN 4 2HB GLN 4 10.449 -2.966 -0.347 171 1HG GLN 4 1HG GLN 4 12.343 -3.639 1.112 172 2HG GLN 4 2HG GLN 4 12.551 -5.097 0.140 173 1HE2 GLN 4 2HE2 GLN 4 14.280 -2.534 0.523 174 2HE2 GLN 4 1HE2 GLN 4 14.634 -2.059 -1.069 175 H HIS 5 H HIS 5 10.498 -2.326 1.385 176 HA HIS 5 HA HIS 5 8.092 -2.028 3.112 177 1HB HIS 5 1HB HIS 5 10.639 -1.446 3.746 178 2HB HIS 5 2HB HIS 5 10.169 0.101 3.034 179 HD1 HIS 5 HD1 HIS 5 10.370 0.930 5.645 180 HD2 HIS 5 HD2 HIS 5 7.188 -1.595 4.720 181 HE1 HIS 5 HE1 HIS 5 8.716 1.123 7.557 182 H LEU 6 H LEU 6 7.348 0.422 3.129 183 HA LEU 6 HA LEU 6 7.091 1.311 0.284 184 1HB LEU 6 1HB LEU 6 4.948 1.537 2.417 185 2HB LEU 6 2HB LEU 6 4.776 1.860 0.691 186 HG LEU 6 HG LEU 6 3.844 -0.305 1.012 187 1HD1 LEU 6 1HD1 LEU 6 6.068 0.062 -0.594 188 2HD1 LEU 6 2HD1 LEU 6 6.464 -1.404 0.302 189 3HD1 LEU 6 3HD1 LEU 6 4.984 -1.326 -0.651 190 1HD2 LEU 6 1HD2 LEU 6 5.436 -0.387 3.265 191 2HD2 LEU 6 2HD2 LEU 6 4.477 -1.736 2.655 192 3HD2 LEU 6 3HD2 LEU 6 6.183 -1.603 2.230 193 H CYS 7 H CYS 7 8.531 3.037 0.358 194 HA CYS 7 HA CYS 7 7.800 5.236 2.240 195 1HB CYS 7 1HB CYS 7 10.035 3.752 2.643 196 2HB CYS 7 2HB CYS 7 10.672 4.968 1.536 197 H GLY 8 H GLY 8 7.711 7.227 1.251 198 1HA GLY 8 1HA GLY 8 8.336 8.880 -0.384 199 2HA GLY 8 2HA GLY 8 9.054 7.600 -1.365 200 H SER 9 H SER 9 7.215 5.835 -1.921 201 HA SER 9 HA SER 9 4.521 6.657 -2.262 202 1HB SER 9 1HB SER 9 6.227 8.097 -3.944 203 2HB SER 9 2HB SER 9 5.566 6.835 -4.978 204 HG SER 9 HG SER 9 4.351 9.009 -3.828 205 H GLU 10 H GLU 10 6.109 4.276 -1.727 206 HA GLU 10 HA GLU 10 5.413 2.591 -4.096 207 1HB GLU 10 1HB GLU 10 7.418 2.214 -1.860 208 2HB GLU 10 2HB GLU 10 6.970 0.917 -2.968 209 1HG GLU 10 1HG GLU 10 7.634 3.446 -4.314 210 2HG GLU 10 2HG GLU 10 8.981 2.740 -3.420 211 H LEU 11 H LEU 11 3.937 3.529 -1.398 212 HA LEU 11 HA LEU 11 3.250 0.918 -0.261 213 1HB LEU 11 1HB LEU 11 3.293 2.946 1.160 214 2HB LEU 11 2HB LEU 11 1.984 3.628 0.207 215 HG LEU 11 HG LEU 11 0.787 1.342 0.782 216 1HD1 LEU 11 1HD1 LEU 11 3.080 1.521 2.692 217 2HD1 LEU 11 2HD1 LEU 11 1.529 0.948 3.309 218 3HD1 LEU 11 3HD1 LEU 11 2.316 0.097 1.980 219 1HD2 LEU 11 1HD2 LEU 11 0.667 3.943 1.761 220 2HD2 LEU 11 2HD2 LEU 11 -0.515 2.670 2.065 221 3HD2 LEU 11 3HD2 LEU 11 0.788 2.956 3.217 222 H VAL 12 H VAL 12 2.035 2.969 -2.794 223 HA VAL 12 HA VAL 12 -0.679 2.208 -2.845 224 HB VAL 12 HB VAL 12 1.098 3.589 -4.543 225 1HG1 VAL 12 1HG1 VAL 12 1.343 1.416 -5.790 226 2HG1 VAL 12 2HG1 VAL 12 -0.388 1.484 -6.127 227 3HG1 VAL 12 3HG1 VAL 12 0.684 2.736 -6.756 228 1HG2 VAL 12 1HG2 VAL 12 -1.814 3.152 -4.251 229 2HG2 VAL 12 2HG2 VAL 12 -0.905 4.659 -4.355 230 3HG2 VAL 12 3HG2 VAL 12 -1.298 3.763 -5.822 231 H GLU 13 H GLU 13 2.203 0.493 -3.924 232 HA GLU 13 HA GLU 13 0.800 -1.711 -5.156 233 1HB GLU 13 1HB GLU 13 3.359 -0.992 -5.228 234 2HB GLU 13 2HB GLU 13 3.474 -2.098 -3.857 235 1HG GLU 13 1HG GLU 13 3.785 -3.621 -5.558 236 2HG GLU 13 2HG GLU 13 2.022 -3.648 -5.492 237 H ALA 14 H ALA 14 2.240 -1.236 -1.923 238 HA ALA 14 HA ALA 14 1.559 -3.755 -0.821 239 1HB ALA 14 1HB ALA 14 1.909 -1.010 0.371 240 2HB ALA 14 2HB ALA 14 1.417 -2.372 1.376 241 3HB ALA 14 3HB ALA 14 2.959 -2.420 0.523 242 H LEU 15 H LEU 15 -0.383 -0.957 -1.538 243 HA LEU 15 HA LEU 15 -2.678 -1.886 0.032 244 1HB LEU 15 1HB LEU 15 -2.201 0.416 -1.865 245 2HB LEU 15 2HB LEU 15 -3.806 0.047 -1.240 246 HG LEU 15 HG LEU 15 -1.471 0.316 0.630 247 1HD1 LEU 15 1HD1 LEU 15 -2.842 2.432 -0.914 248 2HD1 LEU 15 2HD1 LEU 15 -2.764 2.721 0.824 249 3HD1 LEU 15 3HD1 LEU 15 -1.280 2.469 -0.096 250 1HD2 LEU 15 1HD2 LEU 15 -3.898 -0.604 1.133 251 2HD2 LEU 15 2HD2 LEU 15 -3.123 0.503 2.273 252 3HD2 LEU 15 3HD2 LEU 15 -4.326 1.109 1.133 253 H GLU 16 H GLU 16 -1.484 -2.043 -3.255 254 HA GLU 16 HA GLU 16 -3.906 -2.816 -4.560 255 1HB GLU 16 1HB GLU 16 -0.993 -3.403 -5.133 256 2HB GLU 16 2HB GLU 16 -2.295 -3.957 -6.186 257 1HG GLU 16 1HG GLU 16 -2.574 -1.137 -5.481 258 2HG GLU 16 2HG GLU 16 -1.054 -1.472 -6.310 259 H LEU 17 H LEU 17 -1.624 -4.546 -2.549 260 HA LEU 17 HA LEU 17 -2.725 -7.181 -3.213 261 1HB LEU 17 1HB LEU 17 -0.336 -6.819 -2.496 262 2HB LEU 17 2HB LEU 17 -0.936 -6.396 -0.891 263 HG LEU 17 HG LEU 17 -2.037 -8.912 -1.953 264 1HD1 LEU 17 1HD1 LEU 17 0.644 -8.524 -2.489 265 2HD1 LEU 17 2HD1 LEU 17 0.682 -9.325 -0.919 266 3HD1 LEU 17 3HD1 LEU 17 -0.131 -10.094 -2.282 267 1HD2 LEU 17 1HD2 LEU 17 -1.699 -7.636 0.505 268 2HD2 LEU 17 2HD2 LEU 17 -2.246 -9.296 0.267 269 3HD2 LEU 17 3HD2 LEU 17 -0.538 -8.962 0.555 270 H VAL 18 H VAL 18 -3.316 -4.635 -0.917 271 HA VAL 18 HA VAL 18 -4.529 -5.948 1.222 272 HB VAL 18 HB VAL 18 -5.222 -3.358 -0.178 273 1HG1 VAL 18 1HG1 VAL 18 -6.808 -4.872 1.773 274 2HG1 VAL 18 2HG1 VAL 18 -6.405 -3.245 2.325 275 3HG1 VAL 18 3HG1 VAL 18 -7.261 -3.472 0.801 276 1HG2 VAL 18 1HG2 VAL 18 -3.903 -4.134 2.432 277 2HG2 VAL 18 2HG2 VAL 18 -3.149 -3.349 1.048 278 3HG2 VAL 18 3HG2 VAL 18 -4.336 -2.476 2.017 279 H CYS 19 H CYS 19 -6.584 -4.520 -1.318 280 HA CYS 19 HA CYS 19 -8.258 -6.989 -1.162 281 1HB CYS 19 1HB CYS 19 -8.965 -4.250 -0.774 282 2HB CYS 19 2HB CYS 19 -9.705 -4.780 -2.288 283 H GLY 20 H GLY 20 -6.596 -4.687 -3.171 284 1HA GLY 20 1HA GLY 20 -6.123 -4.662 -5.463 285 2HA GLY 20 2HA GLY 20 -6.257 -6.417 -5.360 286 H GLU 21 H GLU 21 -8.331 -7.387 -5.778 287 HA GLU 21 HA GLU 21 -9.756 -6.240 -7.947 288 1HB GLU 21 1HB GLU 21 -9.718 -8.684 -7.303 289 2HB GLU 21 2HB GLU 21 -10.848 -8.295 -6.006 290 1HG GLU 21 1HG GLU 21 -11.493 -7.378 -8.783 291 2HG GLU 21 2HG GLU 21 -11.737 -9.079 -8.380 292 H ARG 22 H ARG 22 -10.363 -6.132 -4.464 293 HA ARG 22 HA ARG 22 -12.901 -4.697 -4.843 294 1HB ARG 22 1HB ARG 22 -11.822 -6.230 -2.785 295 2HB ARG 22 2HB ARG 22 -11.725 -4.580 -2.168 296 1HG ARG 22 1HG ARG 22 -13.967 -4.438 -1.918 297 2HG ARG 22 2HG ARG 22 -14.262 -5.120 -3.518 298 1HD ARG 22 1HD ARG 22 -13.341 -6.875 -1.251 299 2HD ARG 22 2HD ARG 22 -15.048 -6.475 -1.443 300 HE ARG 22 HE ARG 22 -14.293 -7.355 -3.957 301 1HH1 ARG 22 1HH1 ARG 22 -14.073 -8.553 -0.724 302 2HH1 ARG 22 2HH1 ARG 22 -14.184 -10.216 -1.195 303 1HH2 ARG 22 1HH2 ARG 22 -14.430 -9.520 -4.582 304 2HH2 ARG 22 2HH2 ARG 22 -14.382 -10.763 -3.377 305 H GLY 23 H GLY 23 -9.536 -3.970 -4.377 306 1HA GLY 23 1HA GLY 23 -8.519 -1.838 -4.738 307 2HA GLY 23 2HA GLY 23 -10.119 -1.098 -4.695 308 H PHE 24 H PHE 24 -8.820 0.438 -3.244 309 HA PHE 24 HA PHE 24 -9.319 -0.368 -0.444 310 1HB PHE 24 1HB PHE 24 -6.983 0.788 0.045 311 2HB PHE 24 2HB PHE 24 -7.072 -0.928 -0.341 312 HD1 PHE 24 HD1 PHE 24 -6.894 -1.568 -2.872 313 HD2 PHE 24 HD2 PHE 24 -5.650 2.212 -1.252 314 HE1 PHE 24 HE1 PHE 24 -5.465 -1.185 -4.857 315 HE2 PHE 24 HE2 PHE 24 -4.224 2.594 -3.237 316 HZ PHE 24 HZ PHE 24 -4.127 0.897 -5.043 317 H PHE 25 H PHE 25 -8.770 1.645 0.998 318 HA PHE 25 HA PHE 25 -9.933 4.018 -0.387 319 1HB PHE 25 1HB PHE 25 -10.020 2.984 2.420 320 2HB PHE 25 2HB PHE 25 -10.161 4.720 2.152 321 HD1 PHE 25 HD1 PHE 25 -11.606 1.429 1.145 322 HD2 PHE 25 HD2 PHE 25 -12.184 5.677 1.395 323 HE1 PHE 25 HE1 PHE 25 -13.983 1.143 0.496 324 HE2 PHE 25 HE2 PHE 25 -14.560 5.393 0.745 325 HZ PHE 25 HZ PHE 25 -15.460 3.125 0.295 326 H TYR 26 H TYR 26 -7.469 4.022 -1.142 327 HA TYR 26 HA TYR 26 -5.426 4.801 0.663 328 1HB TYR 26 1HB TYR 26 -5.484 4.293 -2.009 329 2HB TYR 26 2HB TYR 26 -5.351 6.051 -2.022 330 HD1 TYR 26 HD1 TYR 26 -3.920 5.897 0.858 331 HD2 TYR 26 HD2 TYR 26 -3.222 4.171 -3.002 332 HE1 TYR 26 HE1 TYR 26 -1.507 5.724 1.381 333 HE2 TYR 26 HE2 TYR 26 -0.805 3.994 -2.480 334 HH TYR 26 HH TYR 26 0.673 5.643 -0.065 335 H GLU 27 H GLU 27 -5.768 6.443 2.080 336 HA GLU 27 HA GLU 27 -6.112 9.158 1.000 337 1HB GLU 27 1HB GLU 27 -8.428 7.993 1.605 338 2HB GLU 27 2HB GLU 27 -7.955 8.429 3.247 339 1HG GLU 27 1HG GLU 27 -7.470 10.780 2.244 340 2HG GLU 27 2HG GLU 27 -8.472 10.241 0.896 341 HA PRO 28 HA PRO 28 -3.268 8.478 4.633 342 1HB PRO 28 1HB PRO 28 -1.219 9.901 3.274 343 2HB PRO 28 2HB PRO 28 -1.298 8.155 3.564 344 1HG PRO 28 1HG PRO 28 -1.665 9.576 1.062 345 2HG PRO 28 2HG PRO 28 -1.621 7.830 1.338 346 1HD PRO 28 1HD PRO 28 -3.917 9.463 0.765 347 2HD PRO 28 2HD PRO 28 -3.872 7.719 1.061 348 H LYS 29 H LYS 29 -4.293 9.955 5.959 349 HA LYS 29 HA LYS 29 -4.956 12.604 5.562 350 1HB LYS 29 1HB LYS 29 -4.004 12.781 8.118 351 2HB LYS 29 2HB LYS 29 -5.572 12.102 7.698 352 1HG LYS 29 1HG LYS 29 -4.144 10.657 9.220 353 2HG LYS 29 2HG LYS 29 -4.714 9.860 7.755 354 1HD LYS 29 1HD LYS 29 -2.611 9.594 6.955 355 2HD LYS 29 2HD LYS 29 -2.151 11.241 7.393 356 1HE LYS 29 1HE LYS 29 -2.273 8.853 9.253 357 2HE LYS 29 2HE LYS 29 -0.816 9.677 8.696 358 1HZ LYS 29 1HZ LYS 29 -2.333 11.681 9.722 359 2HZ LYS 29 2HZ LYS 29 -2.632 10.397 10.793 360 3HZ LYS 29 3HZ LYS 29 -1.040 10.918 10.512 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -1.547 1.576 8.465 2 2H GLY 1 2H GLY 1 -0.808 1.305 9.970 3 3H GLY 1 3H GLY 1 -1.850 2.626 9.766 4 1HA GLY 1 1HA GLY 1 -0.040 3.838 9.383 5 2HA GLY 1 2HA GLY 1 0.943 2.389 9.165 6 H ILE 2 H ILE 2 -1.781 3.971 7.450 7 HA ILE 2 HA ILE 2 -0.845 2.996 4.883 8 HB ILE 2 HB ILE 2 -3.262 3.732 5.710 9 1HG1 ILE 2 1HG1 ILE 2 -2.412 4.410 2.890 10 2HG1 ILE 2 2HG1 ILE 2 -2.503 2.747 3.474 11 1HG2 ILE 2 1HG2 ILE 2 -2.139 6.247 4.452 12 2HG2 ILE 2 2HG2 ILE 2 -3.846 5.961 4.782 13 3HG2 ILE 2 3HG2 ILE 2 -2.697 6.077 6.116 14 1HD1 ILE 2 1HD1 ILE 2 -4.902 4.106 4.248 15 2HD1 ILE 2 2HD1 ILE 2 -4.634 4.384 2.526 16 3HD1 ILE 2 3HD1 ILE 2 -4.728 2.737 3.150 17 H GLY 3 H GLY 3 -0.588 4.786 3.063 18 1HA GLY 3 1HA GLY 3 0.560 6.720 2.292 19 2HA GLY 3 2HA GLY 3 0.804 7.203 3.973 20 H GLU 4 H GLU 4 2.912 7.262 2.026 21 HA GLU 4 HA GLU 4 4.525 4.891 2.185 22 1HB GLU 4 1HB GLU 4 5.513 7.727 1.791 23 2HB GLU 4 2HB GLU 4 6.324 6.238 1.299 24 1HG GLU 4 1HG GLU 4 5.256 6.362 -0.676 25 2HG GLU 4 2HG GLU 4 3.731 6.130 0.178 26 H GLN 5 H GLN 5 3.660 7.093 4.561 27 HA GLN 5 HA GLN 5 5.833 7.663 6.137 28 1HB GLN 5 1HB GLN 5 3.221 7.779 6.616 29 2HB GLN 5 2HB GLN 5 3.548 6.290 7.503 30 1HG GLN 5 1HG GLN 5 5.568 8.300 8.067 31 2HG GLN 5 2HG GLN 5 3.952 8.907 8.430 32 1HE2 GLN 5 2HE2 GLN 5 2.965 8.150 10.336 33 2HE2 GLN 5 1HE2 GLN 5 3.586 6.895 11.297 34 H CYS 6 H CYS 6 4.462 4.464 5.558 35 HA CYS 6 HA CYS 6 5.968 3.067 7.571 36 1HB CYS 6 1HB CYS 6 4.554 2.285 5.036 37 2HB CYS 6 2HB CYS 6 5.589 1.111 5.843 38 H CYS 7 H CYS 7 8.146 3.977 7.369 39 HA CYS 7 HA CYS 7 9.651 2.758 5.098 40 1HB CYS 7 1HB CYS 7 9.933 5.589 6.142 41 2HB CYS 7 2HB CYS 7 11.079 4.824 5.041 42 H THR 8 H THR 8 9.283 2.895 8.385 43 HA THR 8 HA THR 8 12.203 2.538 8.896 44 HB THR 8 HB THR 8 11.014 2.500 11.367 45 HG1 THR 8 HG1 THR 8 9.603 4.328 9.719 46 1HG2 THR 8 1HG2 THR 8 12.778 4.089 9.927 47 2HG2 THR 8 2HG2 THR 8 11.520 5.219 10.430 48 3HG2 THR 8 3HG2 THR 8 12.387 4.269 11.638 49 H SER 9 H SER 9 10.806 0.439 7.594 50 HA SER 9 HA SER 9 11.617 -1.859 8.844 51 1HB SER 9 1HB SER 9 9.431 -2.679 9.925 52 2HB SER 9 2HB SER 9 10.357 -1.489 10.824 53 HG SER 9 HG SER 9 8.098 -0.994 10.656 54 H ILE 10 H ILE 10 8.432 -2.718 8.435 55 HA ILE 10 HA ILE 10 8.268 -2.531 5.541 56 HB ILE 10 HB ILE 10 9.980 -4.337 5.937 57 1HG1 ILE 10 1HG1 ILE 10 7.334 -5.083 4.656 58 2HG1 ILE 10 2HG1 ILE 10 8.715 -4.320 3.863 59 1HG2 ILE 10 1HG2 ILE 10 8.128 -5.139 7.890 60 2HG2 ILE 10 2HG2 ILE 10 8.043 -6.374 6.634 61 3HG2 ILE 10 3HG2 ILE 10 9.586 -6.001 7.398 62 1HD1 ILE 10 1HD1 ILE 10 9.782 -6.612 5.054 63 2HD1 ILE 10 2HD1 ILE 10 8.231 -7.140 4.403 64 3HD1 ILE 10 3HD1 ILE 10 9.425 -6.394 3.340 65 H CYS 11 H CYS 11 6.318 -1.566 6.778 66 HA CYS 11 HA CYS 11 4.389 -2.884 8.212 67 1HB CYS 11 1HB CYS 11 3.995 -1.025 5.852 68 2HB CYS 11 2HB CYS 11 2.685 -1.530 6.918 69 H SER 12 H SER 12 4.151 -5.089 7.812 70 HA SER 12 HA SER 12 4.015 -6.442 5.387 71 1HB SER 12 1HB SER 12 2.214 -7.886 6.691 72 2HB SER 12 2HB SER 12 3.899 -7.878 7.205 73 HG SER 12 HG SER 12 2.976 -7.309 9.034 74 H LEU 13 H LEU 13 2.292 -6.993 3.957 75 HA LEU 13 HA LEU 13 0.447 -4.888 3.365 76 1HB LEU 13 1HB LEU 13 0.731 -7.750 2.463 77 2HB LEU 13 2HB LEU 13 -0.647 -6.784 1.948 78 HG LEU 13 HG LEU 13 1.092 -6.570 0.273 79 1HD1 LEU 13 1HD1 LEU 13 -0.220 -4.504 1.183 80 2HD1 LEU 13 2HD1 LEU 13 1.332 -4.035 1.879 81 3HD1 LEU 13 3HD1 LEU 13 1.170 -4.227 0.133 82 1HD2 LEU 13 1HD2 LEU 13 2.919 -7.184 1.970 83 2HD2 LEU 13 2HD2 LEU 13 3.338 -5.951 0.781 84 3HD2 LEU 13 3HD2 LEU 13 2.913 -5.481 2.426 85 H TYR 14 H TYR 14 0.027 -8.012 5.009 86 HA TYR 14 HA TYR 14 -2.701 -8.186 5.333 87 1HB TYR 14 1HB TYR 14 -0.483 -8.685 7.311 88 2HB TYR 14 2HB TYR 14 -2.168 -9.008 7.717 89 HD1 TYR 14 HD1 TYR 14 -3.444 -10.745 6.539 90 HD2 TYR 14 HD2 TYR 14 0.689 -10.010 5.633 91 HE1 TYR 14 HE1 TYR 14 -3.330 -12.894 5.321 92 HE2 TYR 14 HE2 TYR 14 0.804 -12.160 4.415 93 HH TYR 14 HH TYR 14 -1.702 -14.516 4.604 94 H GLN 15 H GLN 15 -0.548 -6.087 7.279 95 HA GLN 15 HA GLN 15 -2.571 -4.998 8.948 96 1HB GLN 15 1HB GLN 15 0.192 -4.347 8.162 97 2HB GLN 15 2HB GLN 15 -0.773 -2.949 8.616 98 1HG GLN 15 1HG GLN 15 -1.475 -4.286 10.683 99 2HG GLN 15 2HG GLN 15 -0.179 -5.407 10.261 100 1HE2 GLN 15 2HE2 GLN 15 -0.788 -2.742 12.172 101 2HE2 GLN 15 1HE2 GLN 15 0.783 -2.107 12.270 102 H LEU 16 H LEU 16 -1.302 -3.936 5.803 103 HA LEU 16 HA LEU 16 -3.027 -1.623 5.604 104 1HB LEU 16 1HB LEU 16 -1.090 -3.054 3.883 105 2HB LEU 16 2HB LEU 16 -2.370 -2.209 3.018 106 HG LEU 16 HG LEU 16 -1.711 -0.114 3.812 107 1HD1 LEU 16 1HD1 LEU 16 -0.894 -1.669 6.176 108 2HD1 LEU 16 2HD1 LEU 16 0.217 -0.358 5.780 109 3HD1 LEU 16 3HD1 LEU 16 -1.488 -0.012 6.074 110 1HD2 LEU 16 1HD2 LEU 16 0.437 -1.944 3.056 111 2HD2 LEU 16 2HD2 LEU 16 0.150 -0.282 2.538 112 3HD2 LEU 16 3HD2 LEU 16 1.028 -0.600 4.035 113 H GLU 17 H GLU 17 -3.617 -4.973 5.235 114 HA GLU 17 HA GLU 17 -5.522 -4.938 3.109 115 1HB GLU 17 1HB GLU 17 -5.042 -6.768 5.434 116 2HB GLU 17 2HB GLU 17 -6.449 -6.996 4.399 117 1HG GLU 17 1HG GLU 17 -5.034 -7.174 2.428 118 2HG GLU 17 2HG GLU 17 -3.598 -6.814 3.389 119 H ASN 18 H ASN 18 -5.765 -3.934 6.431 120 HA ASN 18 HA ASN 18 -8.601 -4.105 6.748 121 1HB ASN 18 1HB ASN 18 -6.569 -2.205 7.945 122 2HB ASN 18 2HB ASN 18 -8.253 -2.296 8.466 123 1HD2 ASN 18 2HD2 ASN 18 -5.509 -3.154 9.743 124 2HD2 ASN 18 1HD2 ASN 18 -5.834 -4.721 10.310 125 H TYR 19 H TYR 19 -6.630 -1.978 4.872 126 HA TYR 19 HA TYR 19 -8.702 0.109 4.700 127 1HB TYR 19 1HB TYR 19 -6.056 -0.202 3.252 128 2HB TYR 19 2HB TYR 19 -7.105 1.214 3.159 129 HD1 TYR 19 HD1 TYR 19 -8.014 1.766 5.789 130 HD2 TYR 19 HD2 TYR 19 -4.189 0.222 4.587 131 HE1 TYR 19 HE1 TYR 19 -7.004 2.652 7.866 132 HE2 TYR 19 HE2 TYR 19 -3.179 1.110 6.664 133 HH TYR 19 HH TYR 19 -4.416 3.388 8.487 134 H CYS 20 H CYS 20 -8.835 -2.829 3.538 135 HA CYS 20 HA CYS 20 -9.061 -2.466 0.684 136 1HB CYS 20 1HB CYS 20 -8.869 -4.699 1.132 137 2HB CYS 20 2HB CYS 20 -9.750 -4.598 2.649 138 H ASN 21 H ASN 21 -11.173 -2.686 -0.471 139 HA ASN 21 HA ASN 21 -13.052 -0.688 0.567 140 1HB ASN 21 1HB ASN 21 -12.464 -1.954 -2.014 141 2HB ASN 21 2HB ASN 21 -14.192 -1.748 -1.725 142 1HD2 ASN 21 2HD2 ASN 21 -12.032 -0.235 -3.424 143 2HD2 ASN 21 1HD2 ASN 21 -12.341 1.396 -3.064 144 1H GLU 1 1H GLU 1 8.397 -8.649 -7.110 145 2H GLU 1 2H GLU 1 7.170 -9.825 -7.098 146 3H GLU 1 3H GLU 1 7.147 -8.567 -5.961 147 HA GLU 1 HA GLU 1 7.916 -10.472 -4.821 148 1HB GLU 1 1HB GLU 1 9.471 -10.816 -7.352 149 2HB GLU 1 2HB GLU 1 10.186 -11.417 -5.856 150 1HG GLU 1 1HG GLU 1 8.838 -13.214 -5.907 151 2HG GLU 1 2HG GLU 1 7.419 -12.165 -5.908 152 H VAL 2 H VAL 2 8.264 -7.797 -4.386 153 HA VAL 2 HA VAL 2 11.154 -7.628 -3.630 154 HB VAL 2 HB VAL 2 10.626 -5.050 -3.773 155 1HG1 VAL 2 1HG1 VAL 2 12.216 -6.422 -5.198 156 2HG1 VAL 2 2HG1 VAL 2 10.887 -6.644 -6.337 157 3HG1 VAL 2 3HG1 VAL 2 11.509 -5.027 -6.014 158 1HG2 VAL 2 1HG2 VAL 2 8.173 -5.563 -4.244 159 2HG2 VAL 2 2HG2 VAL 2 8.945 -4.456 -5.380 160 3HG2 VAL 2 3HG2 VAL 2 8.687 -6.142 -5.829 161 H ASN 3 H ASN 3 11.047 -8.109 -1.458 162 HA ASN 3 HA ASN 3 8.898 -6.838 0.163 163 1HB ASN 3 1HB ASN 3 10.896 -9.016 0.848 164 2HB ASN 3 2HB ASN 3 9.670 -8.391 1.952 165 1HD2 ASN 3 2HD2 ASN 3 9.634 -11.134 1.207 166 2HD2 ASN 3 1HD2 ASN 3 8.277 -11.418 0.227 167 H GLN 4 H GLN 4 9.520 -4.805 0.762 168 HA GLN 4 HA GLN 4 12.027 -4.544 2.311 169 1HB GLN 4 1HB GLN 4 11.566 -3.398 -0.363 170 2HB GLN 4 2HB GLN 4 12.097 -2.227 0.843 171 1HG GLN 4 1HG GLN 4 14.194 -3.056 0.839 172 2HG GLN 4 2HG GLN 4 13.601 -4.703 1.061 173 1HE2 GLN 4 2HE2 GLN 4 15.615 -3.267 -0.934 174 2HE2 GLN 4 1HE2 GLN 4 15.179 -3.941 -2.429 175 H HIS 5 H HIS 5 9.854 -2.127 0.852 176 HA HIS 5 HA HIS 5 8.223 -1.716 3.152 177 1HB HIS 5 1HB HIS 5 10.717 -0.928 3.760 178 2HB HIS 5 2HB HIS 5 10.128 0.553 3.000 179 HD1 HIS 5 HD1 HIS 5 10.524 0.983 5.855 180 HD2 HIS 5 HD2 HIS 5 7.037 -0.826 4.475 181 HE1 HIS 5 HE1 HIS 5 8.802 1.237 7.699 182 H LEU 6 H LEU 6 7.457 0.806 3.050 183 HA LEU 6 HA LEU 6 6.934 1.336 0.155 184 1HB LEU 6 1HB LEU 6 5.218 2.036 2.558 185 2HB LEU 6 2HB LEU 6 4.807 2.342 0.869 186 HG LEU 6 HG LEU 6 3.675 0.319 1.459 187 1HD1 LEU 6 1HD1 LEU 6 4.844 0.249 -0.721 188 2HD1 LEU 6 2HD1 LEU 6 6.270 -0.421 0.071 189 3HD1 LEU 6 3HD1 LEU 6 4.772 -1.351 0.017 190 1HD2 LEU 6 1HD2 LEU 6 5.451 0.047 3.444 191 2HD2 LEU 6 2HD2 LEU 6 4.519 -1.326 2.844 192 3HD2 LEU 6 3HD2 LEU 6 6.178 -1.078 2.298 193 H CYS 7 H CYS 7 8.298 2.961 -0.437 194 HA CYS 7 HA CYS 7 8.154 5.506 1.036 195 1HB CYS 7 1HB CYS 7 10.180 3.695 1.664 196 2HB CYS 7 2HB CYS 7 10.940 4.804 0.527 197 H GLY 8 H GLY 8 7.493 6.616 -0.809 198 1HA GLY 8 1HA GLY 8 8.629 7.962 -2.622 199 2HA GLY 8 2HA GLY 8 9.325 6.436 -3.169 200 H SER 9 H SER 9 6.021 7.470 -2.252 201 HA SER 9 HA SER 9 3.989 7.178 -3.389 202 1HB SER 9 1HB SER 9 4.879 8.651 -5.061 203 2HB SER 9 2HB SER 9 5.936 7.395 -5.697 204 HG SER 9 HG SER 9 3.193 6.889 -5.606 205 H GLU 10 H GLU 10 5.585 4.811 -2.544 206 HA GLU 10 HA GLU 10 4.679 2.850 -4.597 207 1HB GLU 10 1HB GLU 10 6.649 1.800 -4.290 208 2HB GLU 10 2HB GLU 10 7.147 3.143 -3.263 209 1HG GLU 10 1HG GLU 10 6.129 2.022 -1.325 210 2HG GLU 10 2HG GLU 10 5.681 0.663 -2.352 211 H LEU 11 H LEU 11 3.825 4.182 -1.643 212 HA LEU 11 HA LEU 11 2.928 1.940 -0.145 213 1HB LEU 11 1HB LEU 11 3.051 4.437 0.510 214 2HB LEU 11 2HB LEU 11 1.471 4.580 -0.252 215 HG LEU 11 HG LEU 11 1.080 4.182 2.086 216 1HD1 LEU 11 1HD1 LEU 11 -0.176 2.754 0.310 217 2HD1 LEU 11 2HD1 LEU 11 0.788 1.417 0.938 218 3HD1 LEU 11 3HD1 LEU 11 -0.308 2.293 2.006 219 1HD2 LEU 11 1HD2 LEU 11 3.519 3.025 2.134 220 2HD2 LEU 11 2HD2 LEU 11 2.329 2.795 3.415 221 3HD2 LEU 11 3HD2 LEU 11 2.509 1.580 2.151 222 H VAL 12 H VAL 12 1.299 3.840 -2.700 223 HA VAL 12 HA VAL 12 -1.235 2.606 -2.547 224 HB VAL 12 HB VAL 12 0.067 4.396 -4.288 225 1HG1 VAL 12 1HG1 VAL 12 0.616 2.488 -5.771 226 2HG1 VAL 12 2HG1 VAL 12 -1.096 2.068 -5.843 227 3HG1 VAL 12 3HG1 VAL 12 -0.532 3.594 -6.526 228 1HG2 VAL 12 1HG2 VAL 12 -2.676 3.366 -3.809 229 2HG2 VAL 12 2HG2 VAL 12 -2.074 5.024 -3.788 230 3HG2 VAL 12 3HG2 VAL 12 -2.422 4.232 -5.324 231 H GLU 13 H GLU 13 1.751 1.530 -4.095 232 HA GLU 13 HA GLU 13 0.693 -0.767 -5.419 233 1HB GLU 13 1HB GLU 13 2.988 0.095 -5.801 234 2HB GLU 13 2HB GLU 13 3.435 -0.399 -4.166 235 1HG GLU 13 1HG GLU 13 3.554 -2.608 -4.728 236 2HG GLU 13 2HG GLU 13 2.175 -2.504 -5.823 237 H ALA 14 H ALA 14 2.038 -0.338 -2.151 238 HA ALA 14 HA ALA 14 1.777 -3.032 -1.283 239 1HB ALA 14 1HB ALA 14 2.605 -0.651 -0.132 240 2HB ALA 14 2HB ALA 14 1.148 -1.046 0.780 241 3HB ALA 14 3HB ALA 14 2.480 -2.199 0.705 242 H LEU 15 H LEU 15 -0.551 -0.369 -1.379 243 HA LEU 15 HA LEU 15 -2.634 -1.766 0.037 244 1HB LEU 15 1HB LEU 15 -2.549 0.651 -1.760 245 2HB LEU 15 2HB LEU 15 -4.086 -0.009 -1.204 246 HG LEU 15 HG LEU 15 -1.978 0.375 0.851 247 1HD1 LEU 15 1HD1 LEU 15 -2.009 2.454 -0.661 248 2HD1 LEU 15 2HD1 LEU 15 -3.659 2.705 -0.091 249 3HD1 LEU 15 3HD1 LEU 15 -2.318 2.726 1.054 250 1HD2 LEU 15 1HD2 LEU 15 -4.716 -0.238 0.742 251 2HD2 LEU 15 2HD2 LEU 15 -3.783 0.141 2.193 252 3HD2 LEU 15 3HD2 LEU 15 -4.648 1.421 1.343 253 H GLU 16 H GLU 16 -1.498 -1.799 -3.260 254 HA GLU 16 HA GLU 16 -3.835 -2.746 -4.571 255 1HB GLU 16 1HB GLU 16 -0.893 -3.189 -5.088 256 2HB GLU 16 2HB GLU 16 -2.139 -3.872 -6.132 257 1HG GLU 16 1HG GLU 16 -2.466 -1.003 -5.483 258 2HG GLU 16 2HG GLU 16 -1.074 -1.395 -6.493 259 H LEU 17 H LEU 17 -1.497 -4.365 -2.517 260 HA LEU 17 HA LEU 17 -2.448 -7.047 -3.151 261 1HB LEU 17 1HB LEU 17 -0.159 -6.158 -2.085 262 2HB LEU 17 2HB LEU 17 -1.036 -6.488 -0.592 263 HG LEU 17 HG LEU 17 -0.410 -8.422 -2.832 264 1HD1 LEU 17 1HD1 LEU 17 0.234 -8.328 0.131 265 2HD1 LEU 17 2HD1 LEU 17 0.593 -9.698 -0.921 266 3HD1 LEU 17 3HD1 LEU 17 1.375 -8.142 -1.203 267 1HD2 LEU 17 1HD2 LEU 17 -2.278 -8.725 -0.461 268 2HD2 LEU 17 2HD2 LEU 17 -2.713 -8.820 -2.167 269 3HD2 LEU 17 3HD2 LEU 17 -1.704 -10.072 -1.443 270 H VAL 18 H VAL 18 -3.309 -4.510 -0.936 271 HA VAL 18 HA VAL 18 -4.578 -5.874 1.144 272 HB VAL 18 HB VAL 18 -5.336 -3.322 -0.296 273 1HG1 VAL 18 1HG1 VAL 18 -6.835 -4.888 1.680 274 2HG1 VAL 18 2HG1 VAL 18 -6.517 -3.234 2.208 275 3HG1 VAL 18 3HG1 VAL 18 -7.367 -3.527 0.689 276 1HG2 VAL 18 1HG2 VAL 18 -4.019 -3.965 2.357 277 2HG2 VAL 18 2HG2 VAL 18 -3.239 -3.259 0.944 278 3HG2 VAL 18 3HG2 VAL 18 -4.454 -2.338 1.832 279 H CYS 19 H CYS 19 -6.599 -4.456 -1.410 280 HA CYS 19 HA CYS 19 -8.163 -7.003 -1.403 281 1HB CYS 19 1HB CYS 19 -8.997 -4.305 -0.945 282 2HB CYS 19 2HB CYS 19 -9.690 -4.831 -2.482 283 H GLY 20 H GLY 20 -7.187 -4.235 -3.432 284 1HA GLY 20 1HA GLY 20 -6.484 -4.219 -5.675 285 2HA GLY 20 2HA GLY 20 -6.479 -5.980 -5.631 286 H GLU 21 H GLU 21 -8.623 -7.053 -5.858 287 HA GLU 21 HA GLU 21 -10.043 -6.113 -8.122 288 1HB GLU 21 1HB GLU 21 -9.949 -8.487 -7.051 289 2HB GLU 21 2HB GLU 21 -11.313 -7.927 -6.084 290 1HG GLU 21 1HG GLU 21 -12.347 -7.193 -8.348 291 2HG GLU 21 2HG GLU 21 -11.146 -8.261 -9.075 292 H ARG 22 H ARG 22 -10.890 -5.899 -4.657 293 HA ARG 22 HA ARG 22 -13.326 -4.386 -5.294 294 1HB ARG 22 1HB ARG 22 -12.547 -5.956 -3.155 295 2HB ARG 22 2HB ARG 22 -12.415 -4.320 -2.509 296 1HG ARG 22 1HG ARG 22 -14.739 -3.893 -3.480 297 2HG ARG 22 2HG ARG 22 -14.846 -5.634 -3.737 298 1HD ARG 22 1HD ARG 22 -14.011 -4.673 -1.033 299 2HD ARG 22 2HD ARG 22 -15.711 -4.516 -1.476 300 HE ARG 22 HE ARG 22 -15.084 -7.130 -2.152 301 1HH1 ARG 22 1HH1 ARG 22 -14.819 -5.134 0.654 302 2HH1 ARG 22 2HH1 ARG 22 -14.993 -6.450 1.764 303 1HH2 ARG 22 1HH2 ARG 22 -15.313 -8.852 -0.715 304 2HH2 ARG 22 2HH2 ARG 22 -15.274 -8.553 0.991 305 H GLY 23 H GLY 23 -10.013 -3.705 -4.447 306 1HA GLY 23 1HA GLY 23 -8.987 -1.547 -4.762 307 2HA GLY 23 2HA GLY 23 -10.591 -0.817 -4.754 308 H PHE 24 H PHE 24 -9.555 0.702 -3.204 309 HA PHE 24 HA PHE 24 -10.086 -0.191 -0.454 310 1HB PHE 24 1HB PHE 24 -7.736 0.936 0.130 311 2HB PHE 24 2HB PHE 24 -7.865 -0.782 -0.238 312 HD1 PHE 24 HD1 PHE 24 -7.861 2.328 -2.350 313 HD2 PHE 24 HD2 PHE 24 -6.064 -1.488 -1.544 314 HE1 PHE 24 HE1 PHE 24 -6.345 2.634 -4.281 315 HE2 PHE 24 HE2 PHE 24 -4.547 -1.181 -3.476 316 HZ PHE 24 HZ PHE 24 -4.685 0.881 -4.848 317 H PHE 25 H PHE 25 -9.570 1.780 1.073 318 HA PHE 25 HA PHE 25 -10.643 4.204 -0.298 319 1HB PHE 25 1HB PHE 25 -10.578 3.453 2.644 320 2HB PHE 25 2HB PHE 25 -11.245 4.954 2.003 321 HD1 PHE 25 HD1 PHE 25 -13.082 4.738 0.175 322 HD2 PHE 25 HD2 PHE 25 -11.926 1.541 2.799 323 HE1 PHE 25 HE1 PHE 25 -15.232 3.588 -0.281 324 HE2 PHE 25 HE2 PHE 25 -14.076 0.390 2.344 325 HZ PHE 25 HZ PHE 25 -15.728 1.413 0.804 326 H TYR 26 H TYR 26 -8.085 4.002 -0.918 327 HA TYR 26 HA TYR 26 -6.041 4.705 0.811 328 1HB TYR 26 1HB TYR 26 -6.018 4.397 -1.784 329 2HB TYR 26 2HB TYR 26 -6.270 6.144 -1.821 330 HD1 TYR 26 HD1 TYR 26 -4.747 7.365 0.131 331 HD2 TYR 26 HD2 TYR 26 -3.791 3.755 -1.981 332 HE1 TYR 26 HE1 TYR 26 -2.354 7.719 0.626 333 HE2 TYR 26 HE2 TYR 26 -1.393 4.106 -1.488 334 HH TYR 26 HH TYR 26 -0.227 5.940 0.795 335 H GLU 27 H GLU 27 -5.855 6.317 2.257 336 HA GLU 27 HA GLU 27 -6.194 9.074 1.656 337 1HB GLU 27 1HB GLU 27 -8.647 7.919 1.881 338 2HB GLU 27 2HB GLU 27 -8.353 8.377 3.558 339 1HG GLU 27 1HG GLU 27 -8.844 10.515 3.064 340 2HG GLU 27 2HG GLU 27 -7.517 10.549 1.903 341 HA PRO 28 HA PRO 28 -3.799 7.812 5.409 342 1HB PRO 28 1HB PRO 28 -1.856 9.777 4.663 343 2HB PRO 28 2HB PRO 28 -1.685 8.015 4.624 344 1HG PRO 28 1HG PRO 28 -1.970 9.815 2.389 345 2HG PRO 28 2HG PRO 28 -1.766 8.059 2.358 346 1HD PRO 28 1HD PRO 28 -4.152 9.562 1.787 347 2HD PRO 28 2HD PRO 28 -3.945 7.803 1.778 348 H LYS 29 H LYS 29 -4.968 8.790 7.025 349 HA LYS 29 HA LYS 29 -6.044 11.323 7.191 350 1HB LYS 29 1HB LYS 29 -5.059 11.048 9.765 351 2HB LYS 29 2HB LYS 29 -6.583 10.391 9.182 352 1HG LYS 29 1HG LYS 29 -5.124 8.703 10.341 353 2HG LYS 29 2HG LYS 29 -5.548 8.256 8.691 354 1HD LYS 29 1HD LYS 29 -3.332 7.990 8.336 355 2HD LYS 29 2HD LYS 29 -3.215 9.747 8.393 356 1HE LYS 29 1HE LYS 29 -3.324 8.897 11.081 357 2HE LYS 29 2HE LYS 29 -2.195 7.809 10.274 358 1HZ LYS 29 1HZ LYS 29 -1.983 10.658 9.676 359 2HZ LYS 29 2HZ LYS 29 -1.456 10.146 11.207 360 3HZ LYS 29 3HZ LYS 29 -0.766 9.484 9.801 Start of MODEL 12 1 1H GLY 1 1H GLY 1 1.104 4.939 9.246 2 2H GLY 1 2H GLY 1 0.936 4.168 10.750 3 3H GLY 1 3H GLY 1 1.854 3.442 9.518 4 1HA GLY 1 1HA GLY 1 -0.225 2.313 9.620 5 2HA GLY 1 2HA GLY 1 -1.085 3.852 9.558 6 H ILE 2 H ILE 2 -1.984 4.111 7.578 7 HA ILE 2 HA ILE 2 -0.900 2.782 5.223 8 HB ILE 2 HB ILE 2 -3.351 3.195 5.605 9 1HG1 ILE 2 1HG1 ILE 2 -2.491 4.629 3.099 10 2HG1 ILE 2 2HG1 ILE 2 -2.137 2.913 3.305 11 1HG2 ILE 2 1HG2 ILE 2 -2.479 5.779 6.153 12 2HG2 ILE 2 2HG2 ILE 2 -3.243 5.924 4.570 13 3HG2 ILE 2 3HG2 ILE 2 -4.156 5.279 5.934 14 1HD1 ILE 2 1HD1 ILE 2 -4.898 4.135 3.568 15 2HD1 ILE 2 2HD1 ILE 2 -4.301 3.316 2.124 16 3HD1 ILE 2 3HD1 ILE 2 -4.500 2.418 3.628 17 H GLY 3 H GLY 3 -0.550 4.170 3.174 18 1HA GLY 3 1HA GLY 3 0.346 6.156 2.154 19 2HA GLY 3 2HA GLY 3 0.643 6.816 3.766 20 H GLU 4 H GLU 4 2.708 6.897 1.903 21 HA GLU 4 HA GLU 4 4.415 4.574 2.081 22 1HB GLU 4 1HB GLU 4 5.249 7.433 1.523 23 2HB GLU 4 2HB GLU 4 6.122 5.964 1.080 24 1HG GLU 4 1HG GLU 4 4.881 5.681 -0.779 25 2HG GLU 4 2HG GLU 4 3.377 5.911 0.113 26 H GLN 5 H GLN 5 3.485 6.767 4.413 27 HA GLN 5 HA GLN 5 5.700 7.537 5.867 28 1HB GLN 5 1HB GLN 5 3.236 6.194 7.024 29 2HB GLN 5 2HB GLN 5 4.357 7.231 7.907 30 1HG GLN 5 1HG GLN 5 3.665 8.738 5.662 31 2HG GLN 5 2HG GLN 5 2.152 7.977 6.153 32 1HE2 GLN 5 2HE2 GLN 5 4.748 10.147 7.258 33 2HE2 GLN 5 1HE2 GLN 5 3.889 10.773 8.582 34 H CYS 6 H CYS 6 4.422 4.256 5.522 35 HA CYS 6 HA CYS 6 6.133 3.045 7.494 36 1HB CYS 6 1HB CYS 6 4.039 2.116 6.104 37 2HB CYS 6 2HB CYS 6 5.335 1.479 5.090 38 H CYS 7 H CYS 7 8.226 4.013 7.075 39 HA CYS 7 HA CYS 7 9.595 2.823 4.695 40 1HB CYS 7 1HB CYS 7 9.923 5.589 5.888 41 2HB CYS 7 2HB CYS 7 11.055 4.891 4.730 42 H THR 8 H THR 8 9.386 2.792 7.991 43 HA THR 8 HA THR 8 12.318 2.391 8.367 44 HB THR 8 HB THR 8 11.653 2.417 10.842 45 HG1 THR 8 HG1 THR 8 9.585 2.374 11.124 46 1HG2 THR 8 1HG2 THR 8 12.012 4.532 8.946 47 2HG2 THR 8 2HG2 THR 8 10.840 5.059 10.155 48 3HG2 THR 8 3HG2 THR 8 12.440 4.512 10.656 49 H SER 9 H SER 9 9.848 0.558 7.440 50 HA SER 9 HA SER 9 11.037 -1.914 8.198 51 1HB SER 9 1HB SER 9 8.809 -2.460 9.661 52 2HB SER 9 2HB SER 9 10.341 -1.961 10.370 53 HG SER 9 HG SER 9 8.443 -0.716 11.010 54 H ILE 10 H ILE 10 9.000 -3.685 8.099 55 HA ILE 10 HA ILE 10 7.722 -3.048 5.483 56 HB ILE 10 HB ILE 10 8.177 -5.695 6.895 57 1HG1 ILE 10 1HG1 ILE 10 9.397 -4.631 4.333 58 2HG1 ILE 10 2HG1 ILE 10 10.180 -4.486 5.906 59 1HG2 ILE 10 1HG2 ILE 10 6.101 -5.596 5.482 60 2HG2 ILE 10 2HG2 ILE 10 7.115 -5.165 4.105 61 3HG2 ILE 10 3HG2 ILE 10 7.307 -6.735 4.883 62 1HD1 ILE 10 1HD1 ILE 10 9.241 -7.145 4.816 63 2HD1 ILE 10 2HD1 ILE 10 10.856 -6.513 4.496 64 3HD1 ILE 10 3HD1 ILE 10 10.354 -6.851 6.152 65 H CYS 11 H CYS 11 5.708 -2.184 5.814 66 HA CYS 11 HA CYS 11 4.112 -2.740 8.153 67 1HB CYS 11 1HB CYS 11 3.753 -1.244 5.602 68 2HB CYS 11 2HB CYS 11 2.286 -1.749 6.443 69 H SER 12 H SER 12 3.351 -4.778 8.486 70 HA SER 12 HA SER 12 2.965 -6.820 6.628 71 1HB SER 12 1HB SER 12 0.912 -6.601 8.774 72 2HB SER 12 2HB SER 12 1.915 -7.974 8.315 73 HG SER 12 HG SER 12 3.083 -7.396 9.960 74 H LEU 13 H LEU 13 1.616 -7.037 4.923 75 HA LEU 13 HA LEU 13 -0.248 -5.085 4.093 76 1HB LEU 13 1HB LEU 13 0.140 -7.999 3.449 77 2HB LEU 13 2HB LEU 13 -1.237 -7.125 2.781 78 HG LEU 13 HG LEU 13 0.650 -7.032 1.218 79 1HD1 LEU 13 1HD1 LEU 13 -0.900 -5.019 1.655 80 2HD1 LEU 13 2HD1 LEU 13 0.459 -4.321 2.537 81 3HD1 LEU 13 3HD1 LEU 13 0.619 -4.693 0.820 82 1HD2 LEU 13 1HD2 LEU 13 2.408 -7.306 2.983 83 2HD2 LEU 13 2HD2 LEU 13 2.758 -5.994 1.858 84 3HD2 LEU 13 3HD2 LEU 13 2.130 -5.632 3.466 85 H TYR 14 H TYR 14 -0.755 -8.063 5.962 86 HA TYR 14 HA TYR 14 -3.487 -8.274 6.136 87 1HB TYR 14 1HB TYR 14 -1.950 -9.710 7.416 88 2HB TYR 14 2HB TYR 14 -1.575 -8.362 8.492 89 HD1 TYR 14 HD1 TYR 14 -4.538 -10.229 7.140 90 HD2 TYR 14 HD2 TYR 14 -2.805 -8.128 10.460 91 HE1 TYR 14 HE1 TYR 14 -6.518 -10.777 8.517 92 HE2 TYR 14 HE2 TYR 14 -4.783 -8.676 11.840 93 HH TYR 14 HH TYR 14 -6.584 -10.242 11.933 94 H GLN 15 H GLN 15 -1.504 -5.832 7.810 95 HA GLN 15 HA GLN 15 -3.691 -4.661 9.260 96 1HB GLN 15 1HB GLN 15 -0.863 -4.030 8.667 97 2HB GLN 15 2HB GLN 15 -1.891 -2.637 8.984 98 1HG GLN 15 1HG GLN 15 -2.726 -3.903 11.046 99 2HG GLN 15 2HG GLN 15 -1.382 -5.014 10.773 100 1HE2 GLN 15 2HE2 GLN 15 -0.356 -4.284 12.806 101 2HE2 GLN 15 1HE2 GLN 15 0.421 -2.777 12.885 102 H LEU 16 H LEU 16 -2.104 -3.843 6.168 103 HA LEU 16 HA LEU 16 -3.786 -1.565 5.625 104 1HB LEU 16 1HB LEU 16 -1.856 -3.240 4.080 105 2HB LEU 16 2HB LEU 16 -2.999 -2.262 3.161 106 HG LEU 16 HG LEU 16 -2.196 -0.239 4.088 107 1HD1 LEU 16 1HD1 LEU 16 -1.113 -2.042 6.235 108 2HD1 LEU 16 2HD1 LEU 16 -0.349 -0.477 5.960 109 3HD1 LEU 16 3HD1 LEU 16 -2.055 -0.560 6.398 110 1HD2 LEU 16 1HD2 LEU 16 -0.619 -1.260 2.481 111 2HD2 LEU 16 2HD2 LEU 16 0.243 -0.326 3.704 112 3HD2 LEU 16 3HD2 LEU 16 0.198 -2.086 3.808 113 H GLU 17 H GLU 17 -4.408 -4.906 5.594 114 HA GLU 17 HA GLU 17 -6.258 -5.041 3.391 115 1HB GLU 17 1HB GLU 17 -5.744 -6.730 5.818 116 2HB GLU 17 2HB GLU 17 -7.151 -7.042 4.803 117 1HG GLU 17 1HG GLU 17 -5.113 -6.717 2.958 118 2HG GLU 17 2HG GLU 17 -4.325 -7.589 4.273 119 H ASN 18 H ASN 18 -6.543 -3.951 6.704 120 HA ASN 18 HA ASN 18 -9.402 -4.097 6.910 121 1HB ASN 18 1HB ASN 18 -7.337 -2.359 8.270 122 2HB ASN 18 2HB ASN 18 -9.055 -2.271 8.658 123 1HD2 ASN 18 2HD2 ASN 18 -6.665 -3.331 10.278 124 2HD2 ASN 18 1HD2 ASN 18 -7.139 -4.893 10.740 125 H TYR 19 H TYR 19 -7.281 -1.952 5.213 126 HA TYR 19 HA TYR 19 -9.344 0.145 4.952 127 1HB TYR 19 1HB TYR 19 -6.686 -0.006 3.515 128 2HB TYR 19 2HB TYR 19 -7.674 1.424 3.811 129 HD1 TYR 19 HD1 TYR 19 -8.425 1.326 6.569 130 HD2 TYR 19 HD2 TYR 19 -4.721 0.110 4.768 131 HE1 TYR 19 HE1 TYR 19 -7.262 1.687 8.721 132 HE2 TYR 19 HE2 TYR 19 -3.556 0.471 6.920 133 HH TYR 19 HH TYR 19 -4.700 2.244 9.356 134 H CYS 20 H CYS 20 -9.304 -2.764 3.688 135 HA CYS 20 HA CYS 20 -9.244 -2.427 0.858 136 1HB CYS 20 1HB CYS 20 -9.308 -4.658 1.346 137 2HB CYS 20 2HB CYS 20 -10.338 -4.444 2.754 138 H ASN 21 H ASN 21 -11.223 -2.520 -0.548 139 HA ASN 21 HA ASN 21 -12.997 -0.309 0.153 140 1HB ASN 21 1HB ASN 21 -12.390 -1.926 -2.246 141 2HB ASN 21 2HB ASN 21 -14.055 -1.356 -2.140 142 1HD2 ASN 21 2HD2 ASN 21 -13.984 0.353 -3.642 143 2HD2 ASN 21 1HD2 ASN 21 -12.956 1.697 -3.496 144 1H GLU 1 1H GLU 1 16.403 -5.601 -6.044 145 2H GLU 1 2H GLU 1 16.971 -5.014 -4.558 146 3H GLU 1 3H GLU 1 17.854 -6.201 -5.393 147 HA GLU 1 HA GLU 1 16.208 -7.843 -5.010 148 1HB GLU 1 1HB GLU 1 17.407 -6.310 -2.833 149 2HB GLU 1 2HB GLU 1 15.931 -7.133 -2.329 150 1HG GLU 1 1HG GLU 1 16.786 -9.265 -3.138 151 2HG GLU 1 2HG GLU 1 18.224 -8.475 -3.788 152 H VAL 2 H VAL 2 15.035 -4.707 -5.090 153 HA VAL 2 HA VAL 2 12.915 -3.753 -4.664 154 HB VAL 2 HB VAL 2 12.479 -4.941 -6.731 155 1HG1 VAL 2 1HG1 VAL 2 12.024 -7.341 -4.932 156 2HG1 VAL 2 2HG1 VAL 2 11.642 -7.301 -6.652 157 3HG1 VAL 2 3HG1 VAL 2 13.315 -7.147 -6.118 158 1HG2 VAL 2 1HG2 VAL 2 10.517 -4.558 -4.655 159 2HG2 VAL 2 2HG2 VAL 2 10.323 -4.374 -6.397 160 3HG2 VAL 2 3HG2 VAL 2 10.060 -5.946 -5.643 161 H ASN 3 H ASN 3 13.530 -4.164 -2.247 162 HA ASN 3 HA ASN 3 12.382 -6.314 -0.782 163 1HB ASN 3 1HB ASN 3 13.724 -3.851 -0.203 164 2HB ASN 3 2HB ASN 3 12.292 -3.959 0.821 165 1HD2 ASN 3 2HD2 ASN 3 12.233 -6.872 1.012 166 2HD2 ASN 3 1HD2 ASN 3 13.565 -7.342 1.950 167 H GLN 4 H GLN 4 10.562 -5.849 0.917 168 HA GLN 4 HA GLN 4 8.213 -4.890 -0.616 169 1HB GLN 4 1HB GLN 4 8.679 -6.999 1.248 170 2HB GLN 4 2HB GLN 4 7.511 -5.893 1.974 171 1HG GLN 4 1HG GLN 4 6.150 -5.990 -0.097 172 2HG GLN 4 2HG GLN 4 7.299 -7.142 -0.781 173 1HE2 GLN 4 2HE2 GLN 4 7.467 -9.291 0.304 174 2HE2 GLN 4 1HE2 GLN 4 6.175 -9.867 1.242 175 H HIS 5 H HIS 5 10.316 -3.177 0.857 176 HA HIS 5 HA HIS 5 9.095 -1.984 3.142 177 1HB HIS 5 1HB HIS 5 11.036 -0.883 1.094 178 2HB HIS 5 2HB HIS 5 10.549 0.008 2.536 179 HD1 HIS 5 HD1 HIS 5 12.904 -0.139 3.619 180 HD2 HIS 5 HD2 HIS 5 11.206 -3.858 2.805 181 HE1 HIS 5 HE1 HIS 5 14.325 -1.854 4.824 182 H LEU 6 H LEU 6 8.708 0.667 2.752 183 HA LEU 6 HA LEU 6 6.830 0.995 0.483 184 1HB LEU 6 1HB LEU 6 5.921 1.811 3.225 185 2HB LEU 6 2HB LEU 6 4.958 1.468 1.790 186 HG LEU 6 HG LEU 6 5.967 -0.937 2.029 187 1HD1 LEU 6 1HD1 LEU 6 7.334 0.154 4.072 188 2HD1 LEU 6 2HD1 LEU 6 5.893 -0.363 4.948 189 3HD1 LEU 6 3HD1 LEU 6 6.855 -1.543 4.059 190 1HD2 LEU 6 1HD2 LEU 6 3.792 0.256 3.760 191 2HD2 LEU 6 2HD2 LEU 6 3.608 -0.592 2.224 192 3HD2 LEU 6 3HD2 LEU 6 4.088 -1.480 3.672 193 H CYS 7 H CYS 7 8.386 2.516 -0.301 194 HA CYS 7 HA CYS 7 8.109 5.180 0.905 195 1HB CYS 7 1HB CYS 7 10.303 3.615 1.618 196 2HB CYS 7 2HB CYS 7 10.918 4.650 0.331 197 H GLY 8 H GLY 8 8.527 6.829 -0.638 198 1HA GLY 8 1HA GLY 8 9.179 7.706 -2.757 199 2HA GLY 8 2HA GLY 8 9.653 6.082 -3.256 200 H SER 9 H SER 9 6.523 6.680 -1.811 201 HA SER 9 HA SER 9 4.364 6.680 -2.753 202 1HB SER 9 1HB SER 9 5.377 6.706 -5.548 203 2HB SER 9 2HB SER 9 4.073 7.638 -4.816 204 HG SER 9 HG SER 9 6.101 8.781 -5.377 205 H GLU 10 H GLU 10 5.702 4.252 -2.144 206 HA GLU 10 HA GLU 10 4.761 2.487 -4.356 207 1HB GLU 10 1HB GLU 10 6.688 1.337 -4.173 208 2HB GLU 10 2HB GLU 10 7.262 2.603 -3.090 209 1HG GLU 10 1HG GLU 10 6.178 1.378 -1.196 210 2HG GLU 10 2HG GLU 10 5.816 0.065 -2.314 211 H LEU 11 H LEU 11 3.919 3.630 -1.353 212 HA LEU 11 HA LEU 11 3.032 1.317 0.044 213 1HB LEU 11 1HB LEU 11 3.128 3.805 0.789 214 2HB LEU 11 2HB LEU 11 1.542 3.940 0.036 215 HG LEU 11 HG LEU 11 1.171 3.450 2.364 216 1HD1 LEU 11 1HD1 LEU 11 -0.064 2.079 0.526 217 2HD1 LEU 11 2HD1 LEU 11 0.913 0.732 1.109 218 3HD1 LEU 11 3HD1 LEU 11 -0.195 1.556 2.205 219 1HD2 LEU 11 1HD2 LEU 11 3.138 1.185 1.943 220 2HD2 LEU 11 2HD2 LEU 11 3.385 2.616 2.944 221 3HD2 LEU 11 3HD2 LEU 11 2.183 1.412 3.408 222 H VAL 12 H VAL 12 1.507 3.261 -2.513 223 HA VAL 12 HA VAL 12 -1.075 2.141 -2.467 224 HB VAL 12 HB VAL 12 0.363 3.846 -4.159 225 1HG1 VAL 12 1HG1 VAL 12 0.939 1.788 -5.517 226 2HG1 VAL 12 2HG1 VAL 12 -0.786 1.602 -5.837 227 3HG1 VAL 12 3HG1 VAL 12 0.066 3.038 -6.405 228 1HG2 VAL 12 1HG2 VAL 12 -2.447 2.783 -4.066 229 2HG2 VAL 12 2HG2 VAL 12 -1.853 4.394 -3.662 230 3HG2 VAL 12 3HG2 VAL 12 -1.975 3.896 -5.350 231 H GLU 13 H GLU 13 1.919 0.892 -3.856 232 HA GLU 13 HA GLU 13 0.824 -1.375 -5.197 233 1HB GLU 13 1HB GLU 13 3.220 -0.516 -5.331 234 2HB GLU 13 2HB GLU 13 3.496 -1.308 -3.779 235 1HG GLU 13 1HG GLU 13 3.677 -3.327 -4.760 236 2HG GLU 13 2HG GLU 13 2.155 -3.101 -5.622 237 H ALA 14 H ALA 14 1.999 -0.963 -1.862 238 HA ALA 14 HA ALA 14 1.522 -3.656 -1.018 239 1HB ALA 14 1HB ALA 14 2.597 -1.419 0.154 240 2HB ALA 14 2HB ALA 14 1.059 -1.555 1.004 241 3HB ALA 14 3HB ALA 14 2.198 -2.901 1.023 242 H LEU 15 H LEU 15 -0.561 -0.837 -1.314 243 HA LEU 15 HA LEU 15 -2.798 -2.016 0.113 244 1HB LEU 15 1HB LEU 15 -2.477 0.365 -1.721 245 2HB LEU 15 2HB LEU 15 -4.060 -0.132 -1.123 246 HG LEU 15 HG LEU 15 -1.875 0.099 0.882 247 1HD1 LEU 15 1HD1 LEU 15 -1.735 2.130 -0.674 248 2HD1 LEU 15 2HD1 LEU 15 -3.350 2.550 -0.102 249 3HD1 LEU 15 3HD1 LEU 15 -2.003 2.479 1.033 250 1HD2 LEU 15 1HD2 LEU 15 -4.494 -0.471 1.052 251 2HD2 LEU 15 2HD2 LEU 15 -3.643 0.395 2.334 252 3HD2 LEU 15 3HD2 LEU 15 -4.598 1.289 1.152 253 H GLU 16 H GLU 16 -1.553 -2.117 -3.137 254 HA GLU 16 HA GLU 16 -3.916 -2.925 -4.520 255 1HB GLU 16 1HB GLU 16 -0.986 -3.536 -4.995 256 2HB GLU 16 2HB GLU 16 -2.264 -4.039 -6.101 257 1HG GLU 16 1HG GLU 16 -2.916 -1.750 -6.503 258 2HG GLU 16 2HG GLU 16 -1.838 -1.168 -5.235 259 H LEU 17 H LEU 17 -1.803 -4.557 -2.306 260 HA LEU 17 HA LEU 17 -2.793 -7.237 -3.008 261 1HB LEU 17 1HB LEU 17 -0.490 -7.051 -2.244 262 2HB LEU 17 2HB LEU 17 -1.008 -6.234 -0.770 263 HG LEU 17 HG LEU 17 -2.263 -8.871 -1.311 264 1HD1 LEU 17 1HD1 LEU 17 0.650 -8.472 -1.141 265 2HD1 LEU 17 2HD1 LEU 17 0.017 -9.617 0.040 266 3HD1 LEU 17 3HD1 LEU 17 -0.261 -9.882 -1.682 267 1HD2 LEU 17 1HD2 LEU 17 -2.172 -7.090 0.786 268 2HD2 LEU 17 2HD2 LEU 17 -2.613 -8.792 0.936 269 3HD2 LEU 17 3HD2 LEU 17 -0.958 -8.277 1.264 270 H VAL 18 H VAL 18 -3.563 -4.647 -0.826 271 HA VAL 18 HA VAL 18 -4.864 -5.970 1.277 272 HB VAL 18 HB VAL 18 -5.484 -3.372 -0.148 273 1HG1 VAL 18 1HG1 VAL 18 -7.137 -4.881 1.748 274 2HG1 VAL 18 2HG1 VAL 18 -6.745 -3.260 2.320 275 3HG1 VAL 18 3HG1 VAL 18 -7.553 -3.476 0.767 276 1HG2 VAL 18 1HG2 VAL 18 -4.306 -4.098 2.552 277 2HG2 VAL 18 2HG2 VAL 18 -3.434 -3.426 1.175 278 3HG2 VAL 18 3HG2 VAL 18 -4.638 -2.450 2.016 279 H CYS 19 H CYS 19 -6.862 -4.441 -1.224 280 HA CYS 19 HA CYS 19 -8.524 -6.924 -1.229 281 1HB CYS 19 1HB CYS 19 -9.236 -4.205 -0.823 282 2HB CYS 19 2HB CYS 19 -9.882 -4.670 -2.400 283 H GLY 20 H GLY 20 -7.357 -4.279 -3.331 284 1HA GLY 20 1HA GLY 20 -6.525 -4.453 -5.534 285 2HA GLY 20 2HA GLY 20 -6.792 -6.192 -5.459 286 H GLU 21 H GLU 21 -9.149 -6.878 -5.610 287 HA GLU 21 HA GLU 21 -10.311 -5.860 -7.989 288 1HB GLU 21 1HB GLU 21 -11.260 -7.643 -5.776 289 2HB GLU 21 2HB GLU 21 -12.440 -7.046 -6.944 290 1HG GLU 21 1HG GLU 21 -9.964 -8.018 -8.189 291 2HG GLU 21 2HG GLU 21 -10.841 -9.268 -7.305 292 H ARG 22 H ARG 22 -12.085 -5.746 -4.905 293 HA ARG 22 HA ARG 22 -13.738 -3.583 -5.632 294 1HB ARG 22 1HB ARG 22 -12.982 -4.934 -3.123 295 2HB ARG 22 2HB ARG 22 -13.498 -3.260 -2.918 296 1HG ARG 22 1HG ARG 22 -15.647 -3.823 -3.265 297 2HG ARG 22 2HG ARG 22 -15.234 -4.597 -4.797 298 1HD ARG 22 1HD ARG 22 -14.723 -5.950 -2.147 299 2HD ARG 22 2HD ARG 22 -16.268 -6.101 -2.984 300 HE ARG 22 HE ARG 22 -14.386 -6.745 -4.919 301 1HH1 ARG 22 1HH1 ARG 22 -15.141 -7.780 -1.713 302 2HH1 ARG 22 2HH1 ARG 22 -14.595 -9.403 -1.970 303 1HH2 ARG 22 1HH2 ARG 22 -13.672 -8.856 -5.266 304 2HH2 ARG 22 2HH2 ARG 22 -13.767 -10.014 -3.980 305 H GLY 23 H GLY 23 -10.428 -3.595 -4.533 306 1HA GLY 23 1HA GLY 23 -8.954 -1.705 -4.919 307 2HA GLY 23 2HA GLY 23 -10.363 -0.646 -4.909 308 H PHE 24 H PHE 24 -8.971 0.585 -3.342 309 HA PHE 24 HA PHE 24 -9.625 -0.314 -0.592 310 1HB PHE 24 1HB PHE 24 -7.185 0.632 -0.049 311 2HB PHE 24 2HB PHE 24 -7.445 -1.061 -0.462 312 HD1 PHE 24 HD1 PHE 24 -7.194 -1.765 -2.912 313 HD2 PHE 24 HD2 PHE 24 -5.838 2.022 -1.409 314 HE1 PHE 24 HE1 PHE 24 -5.729 -1.504 -4.889 315 HE2 PHE 24 HE2 PHE 24 -4.372 2.283 -3.383 316 HZ PHE 24 HZ PHE 24 -4.314 0.520 -5.128 317 H PHE 25 H PHE 25 -8.892 1.578 0.969 318 HA PHE 25 HA PHE 25 -9.854 4.106 -0.291 319 1HB PHE 25 1HB PHE 25 -9.965 3.013 2.512 320 2HB PHE 25 2HB PHE 25 -10.138 4.742 2.215 321 HD1 PHE 25 HD1 PHE 25 -11.327 1.691 0.378 322 HD2 PHE 25 HD2 PHE 25 -12.366 5.366 2.338 323 HE1 PHE 25 HE1 PHE 25 -13.701 1.360 -0.263 324 HE2 PHE 25 HE2 PHE 25 -14.742 5.037 1.699 325 HZ PHE 25 HZ PHE 25 -15.408 3.033 0.398 326 H TYR 26 H TYR 26 -7.676 4.564 -1.129 327 HA TYR 26 HA TYR 26 -5.449 4.798 0.711 328 1HB TYR 26 1HB TYR 26 -5.450 4.503 -1.906 329 2HB TYR 26 2HB TYR 26 -5.521 6.269 -1.901 330 HD1 TYR 26 HD1 TYR 26 -3.908 7.339 0.009 331 HD2 TYR 26 HD2 TYR 26 -3.311 3.585 -1.982 332 HE1 TYR 26 HE1 TYR 26 -1.502 7.435 0.559 333 HE2 TYR 26 HE2 TYR 26 -0.901 3.678 -1.435 334 HH TYR 26 HH TYR 26 0.481 6.476 0.299 335 H GLU 27 H GLU 27 -5.187 6.388 2.150 336 HA GLU 27 HA GLU 27 -5.360 9.164 1.567 337 1HB GLU 27 1HB GLU 27 -7.887 7.890 2.226 338 2HB GLU 27 2HB GLU 27 -7.468 9.110 3.429 339 1HG GLU 27 1HG GLU 27 -7.092 10.757 1.619 340 2HG GLU 27 2HG GLU 27 -7.545 9.539 0.426 341 HA PRO 28 HA PRO 28 -3.053 7.640 5.296 342 1HB PRO 28 1HB PRO 28 -1.034 9.561 4.595 343 2HB PRO 28 2HB PRO 28 -0.925 7.795 4.551 344 1HG PRO 28 1HG PRO 28 -1.129 9.606 2.320 345 2HG PRO 28 2HG PRO 28 -1.001 7.843 2.288 346 1HD PRO 28 1HD PRO 28 -3.311 9.439 1.693 347 2HD PRO 28 2HD PRO 28 -3.190 7.672 1.713 348 H LYS 29 H LYS 29 -3.738 8.578 7.139 349 HA LYS 29 HA LYS 29 -5.014 10.985 7.522 350 1HB LYS 29 1HB LYS 29 -3.269 10.786 9.775 351 2HB LYS 29 2HB LYS 29 -4.967 10.341 9.678 352 1HG LYS 29 1HG LYS 29 -3.718 8.411 10.419 353 2HG LYS 29 2HG LYS 29 -4.264 8.102 8.776 354 1HD LYS 29 1HD LYS 29 -2.003 7.446 8.711 355 2HD LYS 29 2HD LYS 29 -1.951 9.086 8.071 356 1HE LYS 29 1HE LYS 29 -0.248 8.422 9.929 357 2HE LYS 29 2HE LYS 29 -1.071 9.977 10.051 358 1HZ LYS 29 1HZ LYS 29 -2.233 7.571 11.295 359 2HZ LYS 29 2HZ LYS 29 -1.010 8.440 12.091 360 3HZ LYS 29 3HZ LYS 29 -2.471 9.205 11.695 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -4.045 4.975 8.779 2 2H GLY 1 2H GLY 1 -3.416 6.078 9.908 3 3H GLY 1 3H GLY 1 -4.808 6.473 9.023 4 1HA GLY 1 1HA GLY 1 -3.664 7.192 7.277 5 2HA GLY 1 2HA GLY 1 -2.286 7.208 8.376 6 H ILE 2 H ILE 2 -1.079 6.758 6.304 7 HA ILE 2 HA ILE 2 -0.429 3.955 6.150 8 HB ILE 2 HB ILE 2 -2.614 4.669 4.583 9 1HG1 ILE 2 1HG1 ILE 2 -1.562 2.449 3.320 10 2HG1 ILE 2 2HG1 ILE 2 -0.780 2.408 4.902 11 1HG2 ILE 2 1HG2 ILE 2 -0.105 4.732 2.891 12 2HG2 ILE 2 2HG2 ILE 2 -1.672 4.276 2.228 13 3HG2 ILE 2 3HG2 ILE 2 -1.439 5.886 2.905 14 1HD1 ILE 2 1HD1 ILE 2 -3.728 2.943 4.728 15 2HD1 ILE 2 2HD1 ILE 2 -3.138 1.287 4.587 16 3HD1 ILE 2 3HD1 ILE 2 -2.803 2.221 6.044 17 H GLY 3 H GLY 3 -0.335 6.813 3.992 18 1HA GLY 3 1HA GLY 3 1.519 7.568 2.713 19 2HA GLY 3 2HA GLY 3 2.155 7.799 4.338 20 H GLU 4 H GLU 4 4.304 7.306 3.694 21 HA GLU 4 HA GLU 4 4.720 4.492 2.799 22 1HB GLU 4 1HB GLU 4 6.429 6.974 2.566 23 2HB GLU 4 2HB GLU 4 7.079 5.354 2.294 24 1HG GLU 4 1HG GLU 4 4.538 6.133 0.910 25 2HG GLU 4 2HG GLU 4 6.067 6.737 0.272 26 H GLN 5 H GLN 5 4.148 5.603 5.544 27 HA GLN 5 HA GLN 5 6.277 5.713 7.293 28 1HB GLN 5 1HB GLN 5 3.501 4.859 7.455 29 2HB GLN 5 2HB GLN 5 4.522 3.922 8.545 30 1HG GLN 5 1HG GLN 5 5.332 6.668 8.679 31 2HG GLN 5 2HG GLN 5 3.583 6.587 8.897 32 1HE2 GLN 5 2HE2 GLN 5 5.403 7.240 11.059 33 2HE2 GLN 5 1HE2 GLN 5 5.306 5.993 12.205 34 H CYS 6 H CYS 6 5.045 2.867 5.599 35 HA CYS 6 HA CYS 6 6.898 1.070 6.999 36 1HB CYS 6 1HB CYS 6 4.559 0.542 5.846 37 2HB CYS 6 2HB CYS 6 5.583 0.288 4.430 38 H CYS 7 H CYS 7 8.749 2.616 6.326 39 HA CYS 7 HA CYS 7 9.620 2.248 3.517 40 1HB CYS 7 1HB CYS 7 10.296 4.086 5.750 41 2HB CYS 7 2HB CYS 7 11.625 3.660 4.671 42 H THR 8 H THR 8 11.965 1.607 3.190 43 HA THR 8 HA THR 8 13.521 -0.156 3.387 44 HB THR 8 HB THR 8 14.870 0.071 5.278 45 HG1 THR 8 HG1 THR 8 13.568 1.020 7.234 46 1HG2 THR 8 1HG2 THR 8 13.769 2.374 4.231 47 2HG2 THR 8 2HG2 THR 8 13.525 2.589 5.965 48 3HG2 THR 8 3HG2 THR 8 15.148 2.317 5.330 49 H SER 9 H SER 9 10.988 -1.222 3.257 50 HA SER 9 HA SER 9 11.290 -3.761 4.498 51 1HB SER 9 1HB SER 9 9.103 -3.313 6.002 52 2HB SER 9 2HB SER 9 10.737 -3.113 6.627 53 HG SER 9 HG SER 9 8.947 -1.151 5.649 54 H ILE 10 H ILE 10 8.765 -4.714 4.690 55 HA ILE 10 HA ILE 10 7.265 -3.749 2.314 56 HB ILE 10 HB ILE 10 7.809 -6.694 2.667 57 1HG1 ILE 10 1HG1 ILE 10 9.486 -4.641 1.191 58 2HG1 ILE 10 2HG1 ILE 10 10.012 -5.703 2.496 59 1HG2 ILE 10 1HG2 ILE 10 6.359 -4.992 0.826 60 2HG2 ILE 10 2HG2 ILE 10 7.601 -5.903 -0.034 61 3HG2 ILE 10 3HG2 ILE 10 6.385 -6.753 0.921 62 1HD1 ILE 10 1HD1 ILE 10 8.898 -6.831 -0.071 63 2HD1 ILE 10 2HD1 ILE 10 10.601 -6.399 0.072 64 3HD1 ILE 10 3HD1 ILE 10 9.911 -7.628 1.131 65 H CYS 11 H CYS 11 5.930 -3.049 4.242 66 HA CYS 11 HA CYS 11 4.739 -4.669 6.149 67 1HB CYS 11 1HB CYS 11 3.740 -2.321 4.570 68 2HB CYS 11 2HB CYS 11 2.615 -3.181 5.622 69 H SER 12 H SER 12 3.852 -6.654 5.861 70 HA SER 12 HA SER 12 2.994 -7.806 3.459 71 1HB SER 12 1HB SER 12 2.042 -9.520 4.758 72 2HB SER 12 2HB SER 12 3.266 -8.850 5.833 73 HG SER 12 HG SER 12 0.856 -9.147 6.482 74 H LEU 13 H LEU 13 0.521 -8.526 3.196 75 HA LEU 13 HA LEU 13 -1.007 -5.980 3.048 76 1HB LEU 13 1HB LEU 13 -0.891 -8.463 1.472 77 2HB LEU 13 2HB LEU 13 -2.528 -7.881 1.773 78 HG LEU 13 HG LEU 13 -1.382 -6.969 -0.319 79 1HD1 LEU 13 1HD1 LEU 13 -3.195 -5.849 1.429 80 2HD1 LEU 13 2HD1 LEU 13 -1.977 -4.581 1.291 81 3HD1 LEU 13 3HD1 LEU 13 -2.782 -5.191 -0.155 82 1HD2 LEU 13 1HD2 LEU 13 0.762 -6.589 1.228 83 2HD2 LEU 13 2HD2 LEU 13 0.424 -5.536 -0.147 84 3HD2 LEU 13 3HD2 LEU 13 -0.008 -5.023 1.485 85 H TYR 14 H TYR 14 -1.166 -9.236 4.421 86 HA TYR 14 HA TYR 14 -3.793 -9.435 5.260 87 1HB TYR 14 1HB TYR 14 -1.202 -10.271 6.450 88 2HB TYR 14 2HB TYR 14 -2.620 -10.321 7.496 89 HD1 TYR 14 HD1 TYR 14 -1.150 -11.601 4.346 90 HD2 TYR 14 HD2 TYR 14 -4.408 -11.891 7.129 91 HE1 TYR 14 HE1 TYR 14 -1.892 -13.697 3.259 92 HE2 TYR 14 HE2 TYR 14 -5.151 -13.985 6.043 93 HH TYR 14 HH TYR 14 -4.253 -15.760 4.662 94 H GLN 15 H GLN 15 -1.307 -7.301 6.595 95 HA GLN 15 HA GLN 15 -3.000 -6.419 8.799 96 1HB GLN 15 1HB GLN 15 -0.281 -5.831 7.740 97 2HB GLN 15 2HB GLN 15 -1.060 -4.565 8.679 98 1HG GLN 15 1HG GLN 15 -0.838 -7.428 9.621 99 2HG GLN 15 2HG GLN 15 0.334 -6.177 10.043 100 1HE2 GLN 15 2HE2 GLN 15 -1.837 -7.700 11.684 101 2HE2 GLN 15 1HE2 GLN 15 -2.659 -6.453 12.493 102 H LEU 16 H LEU 16 -2.066 -5.217 5.599 103 HA LEU 16 HA LEU 16 -3.457 -2.674 5.929 104 1HB LEU 16 1HB LEU 16 -1.932 -4.063 3.790 105 2HB LEU 16 2HB LEU 16 -3.138 -2.901 3.252 106 HG LEU 16 HG LEU 16 -2.070 -1.102 4.294 107 1HD1 LEU 16 1HD1 LEU 16 -0.899 -3.224 6.079 108 2HD1 LEU 16 2HD1 LEU 16 -0.096 -1.660 5.942 109 3HD1 LEU 16 3HD1 LEU 16 -1.759 -1.750 6.525 110 1HD2 LEU 16 1HD2 LEU 16 -0.231 -3.092 3.076 111 2HD2 LEU 16 2HD2 LEU 16 -0.544 -1.417 2.615 112 3HD2 LEU 16 3HD2 LEU 16 0.535 -1.774 3.965 113 H GLU 17 H GLU 17 -4.551 -5.806 5.465 114 HA GLU 17 HA GLU 17 -6.614 -5.423 3.509 115 1HB GLU 17 1HB GLU 17 -6.121 -7.418 5.691 116 2HB GLU 17 2HB GLU 17 -7.666 -7.412 4.840 117 1HG GLU 17 1HG GLU 17 -5.961 -7.237 2.734 118 2HG GLU 17 2HG GLU 17 -4.974 -8.170 3.860 119 H ASN 18 H ASN 18 -6.384 -4.581 6.881 120 HA ASN 18 HA ASN 18 -9.200 -4.370 7.427 121 1HB ASN 18 1HB ASN 18 -7.242 -4.346 9.094 122 2HB ASN 18 2HB ASN 18 -7.065 -2.642 8.674 123 1HD2 ASN 18 2HD2 ASN 18 -9.252 -4.997 10.197 124 2HD2 ASN 18 1HD2 ASN 18 -10.252 -3.845 10.939 125 H TYR 19 H TYR 19 -7.006 -2.437 5.607 126 HA TYR 19 HA TYR 19 -8.628 0.004 5.787 127 1HB TYR 19 1HB TYR 19 -6.208 -0.745 4.126 128 2HB TYR 19 2HB TYR 19 -6.997 0.832 4.042 129 HD1 TYR 19 HD1 TYR 19 -7.520 1.873 6.485 130 HD2 TYR 19 HD2 TYR 19 -4.391 -0.925 5.573 131 HE1 TYR 19 HE1 TYR 19 -6.280 2.601 8.499 132 HE2 TYR 19 HE2 TYR 19 -3.152 -0.197 7.586 133 HH TYR 19 HH TYR 19 -4.350 1.241 10.063 134 H CYS 20 H CYS 20 -8.825 -2.875 4.012 135 HA CYS 20 HA CYS 20 -9.539 -2.126 1.424 136 1HB CYS 20 1HB CYS 20 -9.674 -4.398 1.632 137 2HB CYS 20 2HB CYS 20 -10.346 -4.333 3.254 138 H ASN 21 H ASN 21 -11.792 -1.910 0.525 139 HA ASN 21 HA ASN 21 -13.149 0.286 1.879 140 1HB ASN 21 1HB ASN 21 -13.141 -0.906 -0.762 141 2HB ASN 21 2HB ASN 21 -14.797 -0.657 -0.205 142 1HD2 ASN 21 1HD2 ASN 21 -12.154 0.895 -1.650 143 2HD2 ASN 21 2HD2 ASN 21 -12.637 2.503 -1.397 144 1H GLU 1 1H GLU 1 19.772 -2.577 2.230 145 2H GLU 1 2H GLU 1 21.321 -3.161 1.846 146 3H GLU 1 3H GLU 1 19.953 -3.793 1.062 147 HA GLU 1 HA GLU 1 20.327 -5.436 2.585 148 1HB GLU 1 1HB GLU 1 21.666 -3.230 3.982 149 2HB GLU 1 2HB GLU 1 20.815 -4.327 5.070 150 1HG GLU 1 1HG GLU 1 22.871 -5.104 2.983 151 2HG GLU 1 2HG GLU 1 23.090 -5.141 4.732 152 H VAL 2 H VAL 2 18.804 -6.309 4.085 153 HA VAL 2 HA VAL 2 16.840 -6.376 5.368 154 HB VAL 2 HB VAL 2 17.772 -3.899 5.994 155 1HG1 VAL 2 1HG1 VAL 2 16.145 -3.187 3.949 156 2HG1 VAL 2 2HG1 VAL 2 14.979 -3.175 5.271 157 3HG1 VAL 2 3HG1 VAL 2 16.419 -2.161 5.355 158 1HG2 VAL 2 1HG2 VAL 2 15.650 -5.675 6.838 159 2HG2 VAL 2 2HG2 VAL 2 16.685 -4.636 7.818 160 3HG2 VAL 2 3HG2 VAL 2 15.196 -3.996 7.123 161 H ASN 3 H ASN 3 14.405 -5.651 5.030 162 HA ASN 3 HA ASN 3 13.844 -6.162 2.202 163 1HB ASN 3 1HB ASN 3 11.736 -5.539 4.257 164 2HB ASN 3 2HB ASN 3 11.653 -6.635 2.878 165 1HD2 ASN 3 2HD2 ASN 3 12.341 -6.451 6.255 166 2HD2 ASN 3 1HD2 ASN 3 12.935 -8.030 6.444 167 H GLN 4 H GLN 4 12.430 -4.782 0.912 168 HA GLN 4 HA GLN 4 11.955 -2.026 1.824 169 1HB GLN 4 1HB GLN 4 14.276 -2.753 0.219 170 2HB GLN 4 2HB GLN 4 13.238 -1.606 -0.629 171 1HG GLN 4 1HG GLN 4 13.209 -0.231 1.512 172 2HG GLN 4 2HG GLN 4 14.494 -1.285 2.103 173 1HE2 GLN 4 2HE2 GLN 4 16.327 -1.569 0.244 174 2HE2 GLN 4 1HE2 GLN 4 16.833 -0.106 -0.454 175 H HIS 5 H HIS 5 10.321 -1.020 0.547 176 HA HIS 5 HA HIS 5 9.570 -1.874 -2.063 177 1HB HIS 5 1HB HIS 5 8.918 -3.970 -1.075 178 2HB HIS 5 2HB HIS 5 8.047 -3.146 0.219 179 HD1 HIS 5 HD1 HIS 5 5.607 -3.420 -0.201 180 HD2 HIS 5 HD2 HIS 5 7.693 -2.696 -3.738 181 HE1 HIS 5 HE1 HIS 5 3.872 -3.285 -2.040 182 H LEU 6 H LEU 6 8.352 -0.615 1.037 183 HA LEU 6 HA LEU 6 6.644 1.266 -0.540 184 1HB LEU 6 1HB LEU 6 6.352 0.664 2.401 185 2HB LEU 6 2HB LEU 6 5.167 1.379 1.312 186 HG LEU 6 HG LEU 6 6.022 -1.154 0.278 187 1HD1 LEU 6 1HD1 LEU 6 6.430 -1.407 2.836 188 2HD1 LEU 6 2HD1 LEU 6 4.671 -1.416 2.951 189 3HD1 LEU 6 3HD1 LEU 6 5.499 -2.654 2.006 190 1HD2 LEU 6 1HD2 LEU 6 3.921 0.025 -0.259 191 2HD2 LEU 6 2HD2 LEU 6 3.600 -1.596 0.355 192 3HD2 LEU 6 3HD2 LEU 6 3.377 -0.196 1.404 193 H CYS 7 H CYS 7 8.240 2.832 -0.903 194 HA CYS 7 HA CYS 7 8.720 4.622 1.363 195 1HB CYS 7 1HB CYS 7 10.628 2.766 1.114 196 2HB CYS 7 2HB CYS 7 11.200 3.879 -0.127 197 H GLY 8 H GLY 8 7.862 6.389 0.354 198 1HA GLY 8 1HA GLY 8 8.712 8.271 -1.138 199 2HA GLY 8 2HA GLY 8 8.879 7.034 -2.385 200 H SER 9 H SER 9 6.703 5.721 -2.683 201 HA SER 9 HA SER 9 4.209 6.986 -2.085 202 1HB SER 9 1HB SER 9 5.474 8.552 -3.835 203 2HB SER 9 2HB SER 9 4.828 7.384 -4.984 204 HG SER 9 HG SER 9 3.280 8.667 -2.980 205 H GLU 10 H GLU 10 5.492 4.328 -2.356 206 HA GLU 10 HA GLU 10 3.779 3.115 -4.476 207 1HB GLU 10 1HB GLU 10 6.288 2.188 -3.075 208 2HB GLU 10 2HB GLU 10 5.256 1.061 -3.958 209 1HG GLU 10 1HG GLU 10 5.478 2.438 -5.990 210 2HG GLU 10 2HG GLU 10 6.505 3.572 -5.110 211 H LEU 11 H LEU 11 3.504 3.874 -1.336 212 HA LEU 11 HA LEU 11 2.799 1.461 -0.005 213 1HB LEU 11 1HB LEU 11 3.061 3.897 0.890 214 2HB LEU 11 2HB LEU 11 1.367 4.066 0.442 215 HG LEU 11 HG LEU 11 1.176 3.380 2.655 216 1HD1 LEU 11 1HD1 LEU 11 -0.015 1.816 1.115 217 2HD1 LEU 11 2HD1 LEU 11 1.363 0.720 1.226 218 3HD1 LEU 11 3HD1 LEU 11 0.410 1.090 2.666 219 1HD2 LEU 11 1HD2 LEU 11 3.506 1.503 2.164 220 2HD2 LEU 11 2HD2 LEU 11 3.584 3.045 3.014 221 3HD2 LEU 11 3HD2 LEU 11 2.665 1.706 3.701 222 H VAL 12 H VAL 12 0.879 3.685 -2.019 223 HA VAL 12 HA VAL 12 -1.650 2.478 -1.666 224 HB VAL 12 HB VAL 12 -0.549 4.488 -3.288 225 1HG1 VAL 12 1HG1 VAL 12 -0.251 2.823 -5.102 226 2HG1 VAL 12 2HG1 VAL 12 -1.972 2.439 -5.011 227 3HG1 VAL 12 3HG1 VAL 12 -1.452 4.046 -5.521 228 1HG2 VAL 12 1HG2 VAL 12 -3.057 3.650 -2.237 229 2HG2 VAL 12 2HG2 VAL 12 -2.610 5.249 -2.833 230 3HG2 VAL 12 3HG2 VAL 12 -3.308 4.060 -3.933 231 H GLU 13 H GLU 13 1.047 1.584 -3.757 232 HA GLU 13 HA GLU 13 -0.204 -0.433 -5.301 233 1HB GLU 13 1HB GLU 13 2.139 0.313 -5.652 234 2HB GLU 13 2HB GLU 13 2.597 -0.458 -4.131 235 1HG GLU 13 1HG GLU 13 1.281 -2.496 -5.426 236 2HG GLU 13 2HG GLU 13 2.083 -1.670 -6.764 237 H ALA 14 H ALA 14 1.240 -0.555 -2.068 238 HA ALA 14 HA ALA 14 0.802 -3.345 -1.600 239 1HB ALA 14 1HB ALA 14 1.631 -1.016 -0.067 240 2HB ALA 14 2HB ALA 14 0.568 -2.058 0.881 241 3HB ALA 14 3HB ALA 14 2.046 -2.713 0.176 242 H LEU 15 H LEU 15 -1.258 -0.507 -1.264 243 HA LEU 15 HA LEU 15 -3.371 -1.959 0.135 244 1HB LEU 15 1HB LEU 15 -3.240 0.760 -1.188 245 2HB LEU 15 2HB LEU 15 -4.708 0.133 -0.438 246 HG LEU 15 HG LEU 15 -2.244 -0.049 1.201 247 1HD1 LEU 15 1HD1 LEU 15 -2.686 2.347 -0.108 248 2HD1 LEU 15 2HD1 LEU 15 -3.546 2.576 1.414 249 3HD1 LEU 15 3HD1 LEU 15 -1.830 2.171 1.423 250 1HD2 LEU 15 1HD2 LEU 15 -4.573 -0.738 1.893 251 2HD2 LEU 15 2HD2 LEU 15 -3.820 0.447 2.968 252 3HD2 LEU 15 3HD2 LEU 15 -5.037 0.964 1.799 253 H GLU 16 H GLU 16 -2.360 -1.631 -3.121 254 HA GLU 16 HA GLU 16 -4.870 -1.861 -4.471 255 1HB GLU 16 1HB GLU 16 -2.043 -2.611 -5.193 256 2HB GLU 16 2HB GLU 16 -3.388 -2.956 -6.281 257 1HG GLU 16 1HG GLU 16 -3.907 -0.356 -5.606 258 2HG GLU 16 2HG GLU 16 -2.143 -0.369 -5.597 259 H LEU 17 H LEU 17 -2.974 -4.148 -2.683 260 HA LEU 17 HA LEU 17 -4.489 -6.430 -3.831 261 1HB LEU 17 1HB LEU 17 -2.074 -6.733 -3.562 262 2HB LEU 17 2HB LEU 17 -2.203 -6.342 -1.848 263 HG LEU 17 HG LEU 17 -3.968 -8.515 -2.854 264 1HD1 LEU 17 1HD1 LEU 17 -1.118 -8.527 -3.301 265 2HD1 LEU 17 2HD1 LEU 17 -1.539 -9.761 -2.113 266 3HD1 LEU 17 3HD1 LEU 17 -2.305 -9.768 -3.702 267 1HD2 LEU 17 1HD2 LEU 17 -3.327 -7.471 -0.397 268 2HD2 LEU 17 2HD2 LEU 17 -3.987 -9.087 -0.648 269 3HD2 LEU 17 3HD2 LEU 17 -2.246 -8.862 -0.480 270 H VAL 18 H VAL 18 -4.384 -4.390 -1.022 271 HA VAL 18 HA VAL 18 -5.382 -5.913 1.050 272 HB VAL 18 HB VAL 18 -6.129 -3.132 0.136 273 1HG1 VAL 18 1HG1 VAL 18 -7.572 -4.845 2.020 274 2HG1 VAL 18 2HG1 VAL 18 -6.977 -3.369 2.779 275 3HG1 VAL 18 3HG1 VAL 18 -8.026 -3.271 1.365 276 1HG2 VAL 18 1HG2 VAL 18 -4.608 -4.273 2.497 277 2HG2 VAL 18 2HG2 VAL 18 -3.903 -3.481 1.088 278 3HG2 VAL 18 3HG2 VAL 18 -4.895 -2.556 2.215 279 H CYS 19 H CYS 19 -7.658 -4.194 -1.121 280 HA CYS 19 HA CYS 19 -9.496 -6.524 -0.774 281 1HB CYS 19 1HB CYS 19 -9.957 -3.788 -0.320 282 2HB CYS 19 2HB CYS 19 -10.761 -4.139 -1.852 283 H GLY 20 H GLY 20 -8.122 -4.219 -3.081 284 1HA GLY 20 1HA GLY 20 -7.665 -4.529 -5.367 285 2HA GLY 20 2HA GLY 20 -8.219 -6.194 -5.203 286 H GLU 21 H GLU 21 -10.597 -6.531 -5.184 287 HA GLU 21 HA GLU 21 -11.877 -5.222 -7.354 288 1HB GLU 21 1HB GLU 21 -13.162 -6.713 -5.045 289 2HB GLU 21 2HB GLU 21 -13.921 -6.366 -6.599 290 1HG GLU 21 1HG GLU 21 -11.276 -7.745 -6.645 291 2HG GLU 21 2HG GLU 21 -12.676 -8.690 -6.134 292 H ARG 22 H ARG 22 -13.232 -5.114 -4.061 293 HA ARG 22 HA ARG 22 -14.667 -2.711 -4.458 294 1HB ARG 22 1HB ARG 22 -13.643 -4.153 -2.030 295 2HB ARG 22 2HB ARG 22 -14.388 -2.564 -1.848 296 1HG ARG 22 1HG ARG 22 -16.001 -4.144 -3.621 297 2HG ARG 22 2HG ARG 22 -15.698 -5.068 -2.150 298 1HD ARG 22 1HD ARG 22 -16.530 -2.175 -2.011 299 2HD ARG 22 2HD ARG 22 -17.731 -3.456 -2.171 300 HE ARG 22 HE ARG 22 -16.151 -4.286 -0.049 301 1HH1 ARG 22 1HH1 ARG 22 -17.910 -1.436 -0.899 302 2HH1 ARG 22 2HH1 ARG 22 -18.259 -1.006 0.741 303 1HH2 ARG 22 1HH2 ARG 22 -16.598 -3.732 2.093 304 2HH2 ARG 22 2HH2 ARG 22 -17.516 -2.302 2.433 305 H GLY 23 H GLY 23 -11.291 -3.231 -3.842 306 1HA GLY 23 1HA GLY 23 -9.550 -1.621 -4.011 307 2HA GLY 23 2HA GLY 23 -10.777 -0.364 -4.175 308 H PHE 24 H PHE 24 -9.234 0.716 -2.580 309 HA PHE 24 HA PHE 24 -10.054 -0.052 0.191 310 1HB PHE 24 1HB PHE 24 -7.735 1.078 0.767 311 2HB PHE 24 2HB PHE 24 -7.804 -0.615 0.290 312 HD1 PHE 24 HD1 PHE 24 -7.664 -1.050 -2.333 313 HD2 PHE 24 HD2 PHE 24 -6.282 2.507 -0.361 314 HE1 PHE 24 HE1 PHE 24 -6.195 -0.553 -4.260 315 HE2 PHE 24 HE2 PHE 24 -4.815 3.004 -2.289 316 HZ PHE 24 HZ PHE 24 -4.767 1.477 -4.243 317 H PHE 25 H PHE 25 -9.378 1.988 1.674 318 HA PHE 25 HA PHE 25 -10.818 4.283 0.459 319 1HB PHE 25 1HB PHE 25 -10.235 3.381 3.252 320 2HB PHE 25 2HB PHE 25 -10.531 5.093 2.957 321 HD1 PHE 25 HD1 PHE 25 -12.686 5.861 2.019 322 HD2 PHE 25 HD2 PHE 25 -11.996 1.744 3.024 323 HE1 PHE 25 HE1 PHE 25 -15.126 5.429 1.922 324 HE2 PHE 25 HE2 PHE 25 -14.437 1.310 2.928 325 HZ PHE 25 HZ PHE 25 -16.001 3.153 2.377 326 H TYR 26 H TYR 26 -7.894 3.718 2.431 327 HA TYR 26 HA TYR 26 -5.835 4.828 2.424 328 1HB TYR 26 1HB TYR 26 -6.330 4.446 -0.147 329 2HB TYR 26 2HB TYR 26 -6.541 6.198 -0.142 330 HD1 TYR 26 HD1 TYR 26 -4.655 7.425 1.416 331 HD2 TYR 26 HD2 TYR 26 -4.192 3.703 -0.673 332 HE1 TYR 26 HE1 TYR 26 -2.202 7.718 1.434 333 HE2 TYR 26 HE2 TYR 26 -1.738 4.000 -0.649 334 HH TYR 26 HH TYR 26 -0.183 6.357 1.274 335 H GLU 27 H GLU 27 -6.841 6.111 4.206 336 HA GLU 27 HA GLU 27 -8.135 8.609 3.788 337 1HB GLU 27 1HB GLU 27 -7.418 7.121 5.989 338 2HB GLU 27 2HB GLU 27 -6.339 8.511 6.117 339 1HG GLU 27 1HG GLU 27 -8.284 10.029 5.879 340 2HG GLU 27 2HG GLU 27 -9.354 8.630 5.800 341 HA PRO 28 HA PRO 28 -3.608 10.452 4.225 342 1HB PRO 28 1HB PRO 28 -1.906 8.384 3.096 343 2HB PRO 28 2HB PRO 28 -1.780 9.183 4.666 344 1HG PRO 28 1HG PRO 28 -2.604 6.518 4.206 345 2HG PRO 28 2HG PRO 28 -2.716 7.414 5.723 346 1HD PRO 28 1HD PRO 28 -4.849 6.644 3.914 347 2HD PRO 28 2HD PRO 28 -4.976 7.350 5.534 348 H LYS 29 H LYS 29 -1.713 10.332 2.172 349 HA LYS 29 HA LYS 29 -2.796 11.692 0.062 350 1HB LYS 29 1HB LYS 29 -0.975 10.734 -1.387 351 2HB LYS 29 2HB LYS 29 -0.406 11.338 0.168 352 1HG LYS 29 1HG LYS 29 -1.223 8.479 0.079 353 2HG LYS 29 2HG LYS 29 0.256 8.897 -0.775 354 1HD LYS 29 1HD LYS 29 0.092 10.161 1.857 355 2HD LYS 29 2HD LYS 29 0.035 8.398 1.949 356 1HE LYS 29 1HE LYS 29 2.367 9.342 2.003 357 2HE LYS 29 2HE LYS 29 2.091 8.209 0.681 358 1HZ LYS 29 1HZ LYS 29 1.632 11.080 0.251 359 2HZ LYS 29 2HZ LYS 29 3.217 10.478 0.218 360 3HZ LYS 29 3HZ LYS 29 2.059 9.877 -0.870 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -1.560 -0.021 7.952 2 2H GLY 1 2H GLY 1 -0.197 -0.467 8.855 3 3H GLY 1 3H GLY 1 -1.420 0.468 9.573 4 1HA GLY 1 1HA GLY 1 -0.350 2.300 8.999 5 2HA GLY 1 2HA GLY 1 0.854 1.331 8.149 6 H ILE 2 H ILE 2 0.258 3.687 6.978 7 HA ILE 2 HA ILE 2 -0.847 2.861 4.431 8 HB ILE 2 HB ILE 2 -2.775 3.590 6.202 9 1HG1 ILE 2 1HG1 ILE 2 -3.193 2.620 4.011 10 2HG1 ILE 2 2HG1 ILE 2 -4.186 4.064 4.201 11 1HG2 ILE 2 1HG2 ILE 2 -1.839 5.893 6.387 12 2HG2 ILE 2 2HG2 ILE 2 -2.128 6.117 4.662 13 3HG2 ILE 2 3HG2 ILE 2 -3.487 5.875 5.761 14 1HD1 ILE 2 1HD1 ILE 2 -1.978 5.180 3.120 15 2HD1 ILE 2 2HD1 ILE 2 -1.882 3.575 2.395 16 3HD1 ILE 2 3HD1 ILE 2 -3.317 4.570 2.146 17 H GLY 3 H GLY 3 -0.208 4.287 2.785 18 1HA GLY 3 1HA GLY 3 0.747 6.287 1.885 19 2HA GLY 3 2HA GLY 3 0.954 6.896 3.528 20 H GLU 4 H GLU 4 3.075 6.993 1.649 21 HA GLU 4 HA GLU 4 4.832 4.736 1.887 22 1HB GLU 4 1HB GLU 4 5.599 7.635 1.447 23 2HB GLU 4 2HB GLU 4 6.573 6.218 1.053 24 1HG GLU 4 1HG GLU 4 5.576 6.104 -0.956 25 2HG GLU 4 2HG GLU 4 4.023 5.855 -0.159 26 H GLN 5 H GLN 5 3.795 6.962 4.182 27 HA GLN 5 HA GLN 5 5.934 7.628 5.790 28 1HB GLN 5 1HB GLN 5 3.123 6.826 6.336 29 2HB GLN 5 2HB GLN 5 4.225 6.800 7.714 30 1HG GLN 5 1HG GLN 5 4.503 9.188 6.018 31 2HG GLN 5 2HG GLN 5 2.925 9.044 6.791 32 1HE2 GLN 5 2HE2 GLN 5 2.834 9.153 9.132 33 2HE2 GLN 5 1HE2 GLN 5 4.172 9.633 10.060 34 H CYS 6 H CYS 6 4.347 4.420 5.651 35 HA CYS 6 HA CYS 6 6.042 3.207 7.622 36 1HB CYS 6 1HB CYS 6 3.831 2.360 6.337 37 2HB CYS 6 2HB CYS 6 5.049 1.534 5.364 38 H CYS 7 H CYS 7 8.193 3.921 7.105 39 HA CYS 7 HA CYS 7 9.368 2.504 4.750 40 1HB CYS 7 1HB CYS 7 9.191 5.009 4.454 41 2HB CYS 7 2HB CYS 7 10.293 5.182 5.821 42 H THR 8 H THR 8 9.597 3.316 8.127 43 HA THR 8 HA THR 8 12.364 2.311 8.325 44 HB THR 8 HB THR 8 11.067 2.630 10.880 45 HG1 THR 8 HG1 THR 8 10.106 4.502 10.661 46 1HG2 THR 8 1HG2 THR 8 13.509 3.188 9.614 47 2HG2 THR 8 2HG2 THR 8 12.873 4.760 10.100 48 3HG2 THR 8 3HG2 THR 8 13.104 3.491 11.303 49 H SER 9 H SER 9 10.296 0.478 7.374 50 HA SER 9 HA SER 9 10.957 -1.827 8.906 51 1HB SER 9 1HB SER 9 8.878 -2.283 10.069 52 2HB SER 9 2HB SER 9 9.451 -0.698 10.570 53 HG SER 9 HG SER 9 7.312 -1.403 8.900 54 H ILE 10 H ILE 10 8.211 -3.012 8.483 55 HA ILE 10 HA ILE 10 8.002 -2.896 5.523 56 HB ILE 10 HB ILE 10 9.588 -4.736 6.114 57 1HG1 ILE 10 1HG1 ILE 10 6.891 -5.643 5.053 58 2HG1 ILE 10 2HG1 ILE 10 8.169 -4.890 4.096 59 1HG2 ILE 10 1HG2 ILE 10 7.636 -5.191 8.142 60 2HG2 ILE 10 2HG2 ILE 10 7.673 -6.619 7.107 61 3HG2 ILE 10 3HG2 ILE 10 9.153 -6.053 7.883 62 1HD1 ILE 10 1HD1 ILE 10 9.389 -7.021 5.494 63 2HD1 ILE 10 2HD1 ILE 10 7.877 -7.659 4.851 64 3HD1 ILE 10 3HD1 ILE 10 9.057 -6.928 3.765 65 H CYS 11 H CYS 11 6.017 -1.733 6.418 66 HA CYS 11 HA CYS 11 3.980 -2.781 7.954 67 1HB CYS 11 1HB CYS 11 4.027 -1.039 5.542 68 2HB CYS 11 2HB CYS 11 2.466 -1.727 5.990 69 H SER 12 H SER 12 3.321 -4.889 7.919 70 HA SER 12 HA SER 12 3.443 -6.685 5.765 71 1HB SER 12 1HB SER 12 2.884 -7.844 7.662 72 2HB SER 12 2HB SER 12 1.901 -6.527 8.298 73 HG SER 12 HG SER 12 1.189 -8.692 6.798 74 H LEU 13 H LEU 13 1.733 -7.460 4.317 75 HA LEU 13 HA LEU 13 0.159 -5.245 3.230 76 1HB LEU 13 1HB LEU 13 0.718 -8.076 2.422 77 2HB LEU 13 2HB LEU 13 -0.650 -7.227 1.701 78 HG LEU 13 HG LEU 13 1.353 -5.332 1.602 79 1HD1 LEU 13 1HD1 LEU 13 3.002 -7.028 2.297 80 2HD1 LEU 13 2HD1 LEU 13 2.535 -8.041 0.932 81 3HD1 LEU 13 3HD1 LEU 13 3.306 -6.479 0.650 82 1HD2 LEU 13 1HD2 LEU 13 0.465 -7.378 -0.448 83 2HD2 LEU 13 2HD2 LEU 13 -0.198 -5.764 -0.197 84 3HD2 LEU 13 3HD2 LEU 13 1.433 -5.956 -0.839 85 H TYR 14 H TYR 14 -0.513 -8.359 4.819 86 HA TYR 14 HA TYR 14 -3.328 -8.339 4.656 87 1HB TYR 14 1HB TYR 14 -1.491 -9.351 6.842 88 2HB TYR 14 2HB TYR 14 -3.225 -9.670 6.807 89 HD1 TYR 14 HD1 TYR 14 -4.222 -11.028 4.984 90 HD2 TYR 14 HD2 TYR 14 0.021 -10.442 5.305 91 HE1 TYR 14 HE1 TYR 14 -3.843 -12.906 3.419 92 HE2 TYR 14 HE2 TYR 14 0.399 -12.321 3.742 93 HH TYR 14 HH TYR 14 -1.056 -13.436 1.820 94 H GLN 15 H GLN 15 -1.171 -6.566 6.820 95 HA GLN 15 HA GLN 15 -3.164 -5.666 8.661 96 1HB GLN 15 1HB GLN 15 -0.376 -4.975 7.934 97 2HB GLN 15 2HB GLN 15 -1.306 -3.695 8.703 98 1HG GLN 15 1HG GLN 15 -1.895 -6.063 10.130 99 2HG GLN 15 2HG GLN 15 -0.147 -6.046 9.898 100 1HE2 GLN 15 2HE2 GLN 15 -2.796 -4.519 11.591 101 2HE2 GLN 15 1HE2 GLN 15 -1.861 -3.389 12.445 102 H LEU 16 H LEU 16 -2.003 -4.424 5.560 103 HA LEU 16 HA LEU 16 -3.469 -1.926 5.729 104 1HB LEU 16 1HB LEU 16 -1.823 -3.359 3.732 105 2HB LEU 16 2HB LEU 16 -3.093 -2.348 3.045 106 HG LEU 16 HG LEU 16 -2.220 -0.380 4.008 107 1HD1 LEU 16 1HD1 LEU 16 -0.762 -2.260 5.875 108 2HD1 LEU 16 2HD1 LEU 16 -0.284 -0.570 5.708 109 3HD1 LEU 16 3HD1 LEU 16 -1.900 -0.977 6.286 110 1HD2 LEU 16 1HD2 LEU 16 -0.093 -2.274 3.055 111 2HD2 LEU 16 2HD2 LEU 16 -0.716 -0.816 2.280 112 3HD2 LEU 16 3HD2 LEU 16 0.380 -0.683 3.656 113 H GLU 17 H GLU 17 -4.537 -5.069 5.459 114 HA GLU 17 HA GLU 17 -6.518 -4.935 3.414 115 1HB GLU 17 1HB GLU 17 -6.200 -6.581 5.905 116 2HB GLU 17 2HB GLU 17 -7.679 -6.690 4.952 117 1HG GLU 17 1HG GLU 17 -6.340 -7.206 2.937 118 2HG GLU 17 2HG GLU 17 -4.868 -7.135 3.907 119 H ASN 18 H ASN 18 -6.433 -3.581 6.614 120 HA ASN 18 HA ASN 18 -9.247 -3.283 7.043 121 1HB ASN 18 1HB ASN 18 -6.766 -2.165 8.164 122 2HB ASN 18 2HB ASN 18 -8.179 -1.119 8.300 123 1HD2 ASN 18 2HD2 ASN 18 -6.879 -2.514 10.548 124 2HD2 ASN 18 1HD2 ASN 18 -8.035 -3.575 11.195 125 H TYR 19 H TYR 19 -6.995 -1.562 5.027 126 HA TYR 19 HA TYR 19 -8.704 0.790 4.712 127 1HB TYR 19 1HB TYR 19 -6.303 -0.131 3.106 128 2HB TYR 19 2HB TYR 19 -7.057 1.462 3.007 129 HD1 TYR 19 HD1 TYR 19 -7.195 2.864 5.164 130 HD2 TYR 19 HD2 TYR 19 -4.664 -0.581 4.741 131 HE1 TYR 19 HE1 TYR 19 -5.834 3.627 7.084 132 HE2 TYR 19 HE2 TYR 19 -3.305 0.182 6.660 133 HH TYR 19 HH TYR 19 -4.274 2.366 8.852 134 H CYS 20 H CYS 20 -8.746 -2.355 3.403 135 HA CYS 20 HA CYS 20 -9.400 -2.069 0.723 136 1HB CYS 20 1HB CYS 20 -9.490 -4.271 1.373 137 2HB CYS 20 2HB CYS 20 -10.345 -3.928 2.869 138 H ASN 21 H ASN 21 -11.587 -2.038 -0.294 139 HA ASN 21 HA ASN 21 -12.995 0.360 0.435 140 1HB ASN 21 1HB ASN 21 -13.397 -1.831 -1.567 141 2HB ASN 21 2HB ASN 21 -14.743 -0.741 -1.239 142 1HD2 ASN 21 2HD2 ASN 21 -14.653 0.437 -3.201 143 2HD2 ASN 21 1HD2 ASN 21 -13.337 1.421 -3.635 144 1H GLU 1 1H GLU 1 15.365 -2.929 -6.172 145 2H GLU 1 2H GLU 1 15.617 -4.345 -7.076 146 3H GLU 1 3H GLU 1 14.408 -3.249 -7.539 147 HA GLU 1 HA GLU 1 13.105 -3.733 -5.622 148 1HB GLU 1 1HB GLU 1 13.647 -5.533 -7.673 149 2HB GLU 1 2HB GLU 1 13.794 -6.512 -6.214 150 1HG GLU 1 1HG GLU 1 11.515 -4.822 -5.899 151 2HG GLU 1 2HG GLU 1 11.404 -5.588 -7.484 152 H VAL 2 H VAL 2 13.755 -3.430 -3.515 153 HA VAL 2 HA VAL 2 15.558 -5.522 -2.363 154 HB VAL 2 HB VAL 2 15.417 -2.797 -1.133 155 1HG1 VAL 2 1HG1 VAL 2 16.793 -5.108 -0.582 156 2HG1 VAL 2 2HG1 VAL 2 17.977 -4.204 -1.526 157 3HG1 VAL 2 3HG1 VAL 2 17.293 -3.499 -0.061 158 1HG2 VAL 2 1HG2 VAL 2 16.776 -3.507 -3.729 159 2HG2 VAL 2 2HG2 VAL 2 15.843 -2.064 -3.331 160 3HG2 VAL 2 3HG2 VAL 2 17.462 -2.279 -2.666 161 H ASN 3 H ASN 3 14.094 -6.803 -1.289 162 HA ASN 3 HA ASN 3 12.412 -7.411 0.232 163 1HB ASN 3 1HB ASN 3 12.905 -4.763 1.590 164 2HB ASN 3 2HB ASN 3 12.473 -6.309 2.322 165 1HD2 ASN 3 2HD2 ASN 3 14.249 -8.125 1.679 166 2HD2 ASN 3 1HD2 ASN 3 15.857 -7.628 1.895 167 H GLN 4 H GLN 4 10.606 -5.691 1.655 168 HA GLN 4 HA GLN 4 9.092 -4.503 -0.638 169 1HB GLN 4 1HB GLN 4 7.961 -5.828 1.846 170 2HB GLN 4 2HB GLN 4 7.028 -5.170 0.503 171 1HG GLN 4 1HG GLN 4 8.446 -6.783 -0.969 172 2HG GLN 4 2HG GLN 4 8.794 -7.606 0.552 173 1HE2 GLN 4 2HE2 GLN 4 6.299 -6.970 -1.835 174 2HE2 GLN 4 1HE2 GLN 4 5.109 -7.957 -1.133 175 H HIS 5 H HIS 5 10.862 -2.883 0.702 176 HA HIS 5 HA HIS 5 9.658 -1.542 2.969 177 1HB HIS 5 1HB HIS 5 11.851 -0.689 1.058 178 2HB HIS 5 2HB HIS 5 11.406 0.197 2.517 179 HD1 HIS 5 HD1 HIS 5 13.784 -2.200 1.440 180 HD2 HIS 5 HD2 HIS 5 11.453 -1.823 4.876 181 HE1 HIS 5 HE1 HIS 5 14.884 -3.635 3.213 182 H LEU 6 H LEU 6 8.547 0.448 2.986 183 HA LEU 6 HA LEU 6 7.433 1.278 0.336 184 1HB LEU 6 1HB LEU 6 6.115 1.997 2.931 185 2HB LEU 6 2HB LEU 6 5.385 1.686 1.356 186 HG LEU 6 HG LEU 6 6.637 -0.400 3.166 187 1HD1 LEU 6 1HD1 LEU 6 4.318 0.651 3.721 188 2HD1 LEU 6 2HD1 LEU 6 3.751 -0.253 2.317 189 3HD1 LEU 6 3HD1 LEU 6 4.457 -1.106 3.690 190 1HD2 LEU 6 1HD2 LEU 6 5.715 -0.387 0.338 191 2HD2 LEU 6 2HD2 LEU 6 6.954 -1.374 1.113 192 3HD2 LEU 6 3HD2 LEU 6 5.250 -1.785 1.308 193 H CYS 7 H CYS 7 8.719 2.993 -0.275 194 HA CYS 7 HA CYS 7 8.766 5.329 1.560 195 1HB CYS 7 1HB CYS 7 11.000 3.673 1.138 196 2HB CYS 7 2HB CYS 7 11.278 5.094 0.133 197 H GLY 8 H GLY 8 7.369 4.581 -1.012 198 1HA GLY 8 1HA GLY 8 7.056 6.906 -2.332 199 2HA GLY 8 2HA GLY 8 8.624 6.409 -2.968 200 H SER 9 H SER 9 5.316 6.196 -3.468 201 HA SER 9 HA SER 9 3.985 4.854 -4.864 202 1HB SER 9 1HB SER 9 5.492 5.801 -6.553 203 2HB SER 9 2HB SER 9 6.675 4.535 -6.231 204 HG SER 9 HG SER 9 4.901 4.382 -8.017 205 H GLU 10 H GLU 10 5.600 3.556 -2.576 206 HA GLU 10 HA GLU 10 5.501 0.759 -3.631 207 1HB GLU 10 1HB GLU 10 7.147 2.016 -1.427 208 2HB GLU 10 2HB GLU 10 6.989 0.268 -1.616 209 1HG GLU 10 1HG GLU 10 7.757 0.571 -4.018 210 2HG GLU 10 2HG GLU 10 8.156 2.236 -3.595 211 H LEU 11 H LEU 11 3.771 2.934 -1.821 212 HA LEU 11 HA LEU 11 2.885 0.964 0.205 213 1HB LEU 11 1HB LEU 11 3.312 3.511 0.600 214 2HB LEU 11 2HB LEU 11 1.729 3.716 -0.147 215 HG LEU 11 HG LEU 11 1.429 3.557 2.256 216 1HD1 LEU 11 1HD1 LEU 11 -0.074 2.238 0.570 217 2HD1 LEU 11 2HD1 LEU 11 0.689 0.810 1.275 218 3HD1 LEU 11 3HD1 LEU 11 -0.239 1.911 2.296 219 1HD2 LEU 11 1HD2 LEU 11 3.608 1.756 2.060 220 2HD2 LEU 11 2HD2 LEU 11 2.789 2.290 3.528 221 3HD2 LEU 11 3HD2 LEU 11 2.249 0.831 2.697 222 H VAL 12 H VAL 12 1.568 2.856 -2.523 223 HA VAL 12 HA VAL 12 -1.104 1.938 -2.352 224 HB VAL 12 HB VAL 12 0.391 3.497 -4.141 225 1HG1 VAL 12 1HG1 VAL 12 0.832 1.485 -5.520 226 2HG1 VAL 12 2HG1 VAL 12 -0.904 1.194 -5.630 227 3HG1 VAL 12 3HG1 VAL 12 -0.204 2.637 -6.364 228 1HG2 VAL 12 1HG2 VAL 12 -2.330 2.977 -3.414 229 2HG2 VAL 12 2HG2 VAL 12 -1.649 4.435 -4.137 230 3HG2 VAL 12 3HG2 VAL 12 -2.238 3.130 -5.169 231 H GLU 13 H GLU 13 1.748 0.478 -3.861 232 HA GLU 13 HA GLU 13 0.477 -1.766 -5.058 233 1HB GLU 13 1HB GLU 13 2.914 -1.110 -5.306 234 2HB GLU 13 2HB GLU 13 3.187 -1.783 -3.698 235 1HG GLU 13 1HG GLU 13 1.701 -3.699 -5.208 236 2HG GLU 13 2HG GLU 13 3.066 -3.175 -6.193 237 H ALA 14 H ALA 14 1.737 -1.265 -1.776 238 HA ALA 14 HA ALA 14 1.151 -3.856 -0.751 239 1HB ALA 14 1HB ALA 14 2.345 -1.678 0.297 240 2HB ALA 14 2HB ALA 14 0.756 -1.518 1.046 241 3HB ALA 14 3HB ALA 14 1.707 -2.981 1.299 242 H LEU 15 H LEU 15 -0.846 -0.996 -1.227 243 HA LEU 15 HA LEU 15 -3.126 -2.046 0.228 244 1HB LEU 15 1HB LEU 15 -2.711 0.252 -1.679 245 2HB LEU 15 2HB LEU 15 -4.322 -0.180 -1.104 246 HG LEU 15 HG LEU 15 -2.134 0.088 0.910 247 1HD1 LEU 15 1HD1 LEU 15 -2.477 2.124 -0.887 248 2HD1 LEU 15 2HD1 LEU 15 -3.655 2.557 0.351 249 3HD1 LEU 15 3HD1 LEU 15 -1.957 2.354 0.784 250 1HD2 LEU 15 1HD2 LEU 15 -4.753 -0.544 1.088 251 2HD2 LEU 15 2HD2 LEU 15 -3.896 0.316 2.371 252 3HD2 LEU 15 3HD2 LEU 15 -4.874 1.213 1.211 253 H GLU 16 H GLU 16 -1.862 -2.420 -2.985 254 HA GLU 16 HA GLU 16 -4.250 -3.131 -4.371 255 1HB GLU 16 1HB GLU 16 -1.344 -3.763 -4.727 256 2HB GLU 16 2HB GLU 16 -2.538 -4.636 -5.685 257 1HG GLU 16 1HG GLU 16 -3.440 -2.074 -5.950 258 2HG GLU 16 2HG GLU 16 -1.698 -1.809 -5.850 259 H LEU 17 H LEU 17 -2.117 -4.977 -2.249 260 HA LEU 17 HA LEU 17 -3.403 -7.528 -2.783 261 1HB LEU 17 1HB LEU 17 -1.051 -7.218 -1.880 262 2HB LEU 17 2HB LEU 17 -1.781 -6.750 -0.345 263 HG LEU 17 HG LEU 17 -2.516 -9.344 -1.701 264 1HD1 LEU 17 1HD1 LEU 17 -0.004 -9.140 -1.303 265 2HD1 LEU 17 2HD1 LEU 17 -0.376 -9.025 0.418 266 3HD1 LEU 17 3HD1 LEU 17 -0.796 -10.484 -0.481 267 1HD2 LEU 17 1HD2 LEU 17 -3.201 -7.939 0.743 268 2HD2 LEU 17 2HD2 LEU 17 -3.921 -9.399 0.065 269 3HD2 LEU 17 3HD2 LEU 17 -2.507 -9.518 1.111 270 H VAL 18 H VAL 18 -4.067 -4.805 -0.753 271 HA VAL 18 HA VAL 18 -5.506 -5.960 1.366 272 HB VAL 18 HB VAL 18 -5.939 -3.367 -0.137 273 1HG1 VAL 18 1HG1 VAL 18 -7.587 -4.690 1.896 274 2HG1 VAL 18 2HG1 VAL 18 -7.054 -3.081 2.384 275 3HG1 VAL 18 3HG1 VAL 18 -7.960 -3.293 0.885 276 1HG2 VAL 18 1HG2 VAL 18 -4.654 -4.126 2.499 277 2HG2 VAL 18 2HG2 VAL 18 -3.835 -3.518 1.065 278 3HG2 VAL 18 3HG2 VAL 18 -4.916 -2.463 1.972 279 H CYS 19 H CYS 19 -7.310 -4.372 -1.269 280 HA CYS 19 HA CYS 19 -9.160 -6.718 -1.208 281 1HB CYS 19 1HB CYS 19 -9.667 -3.901 -0.868 282 2HB CYS 19 2HB CYS 19 -10.492 -4.472 -2.320 283 H GLY 20 H GLY 20 -7.527 -4.316 -3.220 284 1HA GLY 20 1HA GLY 20 -6.894 -4.427 -5.476 285 2HA GLY 20 2HA GLY 20 -7.267 -6.148 -5.417 286 H GLU 21 H GLU 21 -9.511 -6.789 -5.784 287 HA GLU 21 HA GLU 21 -10.727 -5.463 -7.979 288 1HB GLU 21 1HB GLU 21 -11.137 -7.841 -7.412 289 2HB GLU 21 2HB GLU 21 -12.030 -7.335 -5.978 290 1HG GLU 21 1HG GLU 21 -12.889 -6.082 -8.523 291 2HG GLU 21 2HG GLU 21 -13.211 -7.810 -8.377 292 H ARG 22 H ARG 22 -12.031 -5.680 -4.642 293 HA ARG 22 HA ARG 22 -14.010 -3.670 -5.015 294 1HB ARG 22 1HB ARG 22 -13.280 -5.351 -2.950 295 2HB ARG 22 2HB ARG 22 -12.835 -3.764 -2.320 296 1HG ARG 22 1HG ARG 22 -15.079 -2.919 -2.723 297 2HG ARG 22 2HG ARG 22 -15.537 -4.428 -3.515 298 1HD ARG 22 1HD ARG 22 -14.422 -4.616 -0.766 299 2HD ARG 22 2HD ARG 22 -16.053 -3.969 -0.917 300 HE ARG 22 HE ARG 22 -15.305 -6.721 -1.117 301 1HH1 ARG 22 1HH1 ARG 22 -17.225 -4.366 -2.763 302 2HH1 ARG 22 2HH1 ARG 22 -18.175 -5.548 -3.598 303 1HH2 ARG 22 1HH2 ARG 22 -16.542 -8.258 -2.187 304 2HH2 ARG 22 2HH2 ARG 22 -17.792 -7.746 -3.270 305 H GLY 23 H GLY 23 -10.582 -3.462 -4.491 306 1HA GLY 23 1HA GLY 23 -9.216 -1.536 -4.762 307 2HA GLY 23 2HA GLY 23 -10.679 -0.557 -4.887 308 H PHE 24 H PHE 24 -9.194 0.790 -3.360 309 HA PHE 24 HA PHE 24 -10.066 0.173 -0.592 310 1HB PHE 24 1HB PHE 24 -7.625 1.078 0.019 311 2HB PHE 24 2HB PHE 24 -7.933 -0.635 -0.246 312 HD1 PHE 24 HD1 PHE 24 -7.635 -1.534 -2.666 313 HD2 PHE 24 HD2 PHE 24 -6.061 2.225 -1.309 314 HE1 PHE 24 HE1 PHE 24 -6.034 -1.523 -4.554 315 HE2 PHE 24 HE2 PHE 24 -4.461 2.235 -3.195 316 HZ PHE 24 HZ PHE 24 -4.443 0.363 -4.821 317 H PHE 25 H PHE 25 -9.404 2.163 0.845 318 HA PHE 25 HA PHE 25 -10.106 4.606 -0.725 319 1HB PHE 25 1HB PHE 25 -10.551 3.825 2.159 320 2HB PHE 25 2HB PHE 25 -10.697 5.496 1.613 321 HD1 PHE 25 HD1 PHE 25 -12.437 6.160 0.008 322 HD2 PHE 25 HD2 PHE 25 -12.155 2.132 1.470 323 HE1 PHE 25 HE1 PHE 25 -14.716 5.690 -0.851 324 HE2 PHE 25 HE2 PHE 25 -14.433 1.660 0.610 325 HZ PHE 25 HZ PHE 25 -15.713 3.439 -0.550 326 H TYR 26 H TYR 26 -7.630 4.377 -1.199 327 HA TYR 26 HA TYR 26 -5.638 4.814 0.710 328 1HB TYR 26 1HB TYR 26 -5.530 4.574 -1.922 329 2HB TYR 26 2HB TYR 26 -5.498 6.339 -1.866 330 HD1 TYR 26 HD1 TYR 26 -3.939 7.209 0.217 331 HD2 TYR 26 HD2 TYR 26 -3.434 3.573 -2.001 332 HE1 TYR 26 HE1 TYR 26 -1.553 7.147 0.873 333 HE2 TYR 26 HE2 TYR 26 -1.048 3.507 -1.355 334 HH TYR 26 HH TYR 26 0.619 6.060 -0.214 335 H GLU 27 H GLU 27 -5.508 6.362 2.233 336 HA GLU 27 HA GLU 27 -5.569 9.162 1.635 337 1HB GLU 27 1HB GLU 27 -8.027 8.636 1.466 338 2HB GLU 27 2HB GLU 27 -7.985 8.151 3.161 339 1HG GLU 27 1HG GLU 27 -8.469 10.334 3.576 340 2HG GLU 27 2HG GLU 27 -6.752 10.597 3.266 341 HA PRO 28 HA PRO 28 -3.406 7.721 5.454 342 1HB PRO 28 1HB PRO 28 -1.381 9.655 4.872 343 2HB PRO 28 2HB PRO 28 -1.262 7.893 4.748 344 1HG PRO 28 1HG PRO 28 -1.438 9.827 2.600 345 2HG PRO 28 2HG PRO 28 -1.221 8.075 2.485 346 1HD PRO 28 1HD PRO 28 -3.577 9.575 1.864 347 2HD PRO 28 2HD PRO 28 -3.378 7.816 1.843 348 H LYS 29 H LYS 29 -3.537 8.775 7.429 349 HA LYS 29 HA LYS 29 -5.192 10.931 7.905 350 1HB LYS 29 1HB LYS 29 -3.653 11.355 9.964 351 2HB LYS 29 2HB LYS 29 -4.446 9.784 9.823 352 1HG LYS 29 1HG LYS 29 -1.882 9.892 8.409 353 2HG LYS 29 2HG LYS 29 -1.722 10.181 10.142 354 1HD LYS 29 1HD LYS 29 -3.395 8.107 10.273 355 2HD LYS 29 2HD LYS 29 -2.670 7.736 8.707 356 1HE LYS 29 1HE LYS 29 -0.411 8.231 9.987 357 2HE LYS 29 2HE LYS 29 -1.380 7.855 11.411 358 1HZ LYS 29 1HZ LYS 29 -2.074 5.872 9.761 359 2HZ LYS 29 2HZ LYS 29 -0.465 6.117 9.284 360 3HZ LYS 29 3HZ LYS 29 -0.823 5.758 10.906 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -1.943 6.552 9.002 2 2H GLY 1 2H GLY 1 -0.657 6.059 9.997 3 3H GLY 1 3H GLY 1 -1.136 7.689 9.968 4 1HA GLY 1 1HA GLY 1 -0.273 8.056 7.852 5 2HA GLY 1 2HA GLY 1 0.946 7.080 8.672 6 H ILE 2 H ILE 2 -1.771 6.908 6.398 7 HA ILE 2 HA ILE 2 -0.903 4.182 5.606 8 HB ILE 2 HB ILE 2 -3.255 4.302 5.871 9 1HG1 ILE 2 1HG1 ILE 2 -2.911 4.816 2.908 10 2HG1 ILE 2 2HG1 ILE 2 -2.393 3.310 3.667 11 1HG2 ILE 2 1HG2 ILE 2 -2.916 6.974 4.557 12 2HG2 ILE 2 2HG2 ILE 2 -4.471 6.151 4.423 13 3HG2 ILE 2 3HG2 ILE 2 -3.817 6.550 6.013 14 1HD1 ILE 2 1HD1 ILE 2 -4.933 3.609 4.676 15 2HD1 ILE 2 2HD1 ILE 2 -5.109 4.258 3.045 16 3HD1 ILE 2 3HD1 ILE 2 -4.517 2.613 3.281 17 H GLY 3 H GLY 3 0.158 7.131 4.917 18 1HA GLY 3 1HA GLY 3 0.109 7.069 1.992 19 2HA GLY 3 2HA GLY 3 1.038 8.190 2.989 20 H GLU 4 H GLU 4 3.124 7.552 3.720 21 HA GLU 4 HA GLU 4 4.130 4.960 2.649 22 1HB GLU 4 1HB GLU 4 5.624 7.591 2.447 23 2HB GLU 4 2HB GLU 4 6.154 6.024 1.834 24 1HG GLU 4 1HG GLU 4 4.958 6.272 -0.054 25 2HG GLU 4 2HG GLU 4 3.501 6.667 0.862 26 H GLN 5 H GLN 5 3.398 6.215 5.369 27 HA GLN 5 HA GLN 5 5.575 6.762 6.993 28 1HB GLN 5 1HB GLN 5 2.979 6.207 7.504 29 2HB GLN 5 2HB GLN 5 3.712 4.702 8.062 30 1HG GLN 5 1HG GLN 5 5.065 7.210 8.905 31 2HG GLN 5 2HG GLN 5 3.491 6.888 9.635 32 1HE2 GLN 5 2HE2 GLN 5 3.835 5.895 11.630 33 2HE2 GLN 5 1HE2 GLN 5 4.961 4.659 11.919 34 H CYS 6 H CYS 6 4.586 3.614 5.706 35 HA CYS 6 HA CYS 6 6.471 2.025 7.156 36 1HB CYS 6 1HB CYS 6 4.477 1.474 5.370 37 2HB CYS 6 2HB CYS 6 5.909 1.198 4.375 38 H CYS 7 H CYS 7 8.537 2.974 7.158 39 HA CYS 7 HA CYS 7 9.899 3.009 4.498 40 1HB CYS 7 1HB CYS 7 9.296 5.300 5.736 41 2HB CYS 7 2HB CYS 7 10.783 4.926 6.608 42 H THR 8 H THR 8 10.067 2.316 7.930 43 HA THR 8 HA THR 8 12.886 1.416 7.599 44 HB THR 8 HB THR 8 12.770 1.207 10.137 45 HG1 THR 8 HG1 THR 8 10.548 2.896 9.972 46 1HG2 THR 8 1HG2 THR 8 13.708 3.174 8.836 47 2HG2 THR 8 2HG2 THR 8 12.153 3.971 9.074 48 3HG2 THR 8 3HG2 THR 8 13.150 3.553 10.466 49 H SER 9 H SER 9 10.512 -0.074 6.561 50 HA SER 9 HA SER 9 11.254 -2.697 7.030 51 1HB SER 9 1HB SER 9 9.176 -3.146 8.727 52 2HB SER 9 2HB SER 9 10.840 -2.932 9.261 53 HG SER 9 HG SER 9 9.146 -1.557 10.253 54 H ILE 10 H ILE 10 9.358 -4.289 6.624 55 HA ILE 10 HA ILE 10 7.644 -3.076 4.534 56 HB ILE 10 HB ILE 10 8.323 -5.929 5.282 57 1HG1 ILE 10 1HG1 ILE 10 8.748 -4.247 2.791 58 2HG1 ILE 10 2HG1 ILE 10 9.991 -4.699 3.958 59 1HG2 ILE 10 1HG2 ILE 10 6.220 -4.858 3.391 60 2HG2 ILE 10 2HG2 ILE 10 6.927 -6.461 3.188 61 3HG2 ILE 10 3HG2 ILE 10 6.032 -6.073 4.656 62 1HD1 ILE 10 1HD1 ILE 10 8.426 -6.959 2.874 63 2HD1 ILE 10 2HD1 ILE 10 9.434 -6.122 1.694 64 3HD1 ILE 10 3HD1 ILE 10 10.163 -6.818 3.142 65 H CYS 11 H CYS 11 5.490 -2.724 4.859 66 HA CYS 11 HA CYS 11 4.340 -3.419 7.479 67 1HB CYS 11 1HB CYS 11 3.399 -1.775 5.124 68 2HB CYS 11 2HB CYS 11 2.316 -2.178 6.458 69 H SER 12 H SER 12 3.682 -5.525 7.629 70 HA SER 12 HA SER 12 2.980 -7.286 5.583 71 1HB SER 12 1HB SER 12 1.241 -8.003 7.615 72 2HB SER 12 2HB SER 12 2.917 -8.525 7.477 73 HG SER 12 HG SER 12 1.788 -6.454 9.014 74 H LEU 13 H LEU 13 1.348 -7.286 4.120 75 HA LEU 13 HA LEU 13 -0.603 -5.276 3.888 76 1HB LEU 13 1HB LEU 13 -0.144 -7.932 2.709 77 2HB LEU 13 2HB LEU 13 -1.838 -7.452 2.748 78 HG LEU 13 HG LEU 13 -0.513 -6.740 0.678 79 1HD1 LEU 13 1HD1 LEU 13 -2.562 -5.499 2.112 80 2HD1 LEU 13 2HD1 LEU 13 -1.433 -4.191 1.758 81 3HD1 LEU 13 3HD1 LEU 13 -2.106 -5.156 0.444 82 1HD2 LEU 13 1HD2 LEU 13 1.488 -6.051 2.120 83 2HD2 LEU 13 2HD2 LEU 13 1.003 -4.902 0.873 84 3HD2 LEU 13 3HD2 LEU 13 0.554 -4.620 2.555 85 H TYR 14 H TYR 14 -0.647 -8.238 5.761 86 HA TYR 14 HA TYR 14 -3.284 -8.708 6.347 87 1HB TYR 14 1HB TYR 14 -1.183 -9.735 7.414 88 2HB TYR 14 2HB TYR 14 -1.271 -8.413 8.577 89 HD1 TYR 14 HD1 TYR 14 -3.617 -10.868 6.962 90 HD2 TYR 14 HD2 TYR 14 -2.396 -8.859 10.554 91 HE1 TYR 14 HE1 TYR 14 -5.338 -12.105 8.237 92 HE2 TYR 14 HE2 TYR 14 -4.116 -10.096 11.832 93 HH TYR 14 HH TYR 14 -5.803 -11.535 11.730 94 H GLN 15 H GLN 15 -1.347 -6.031 7.696 95 HA GLN 15 HA GLN 15 -3.554 -5.022 9.290 96 1HB GLN 15 1HB GLN 15 -0.748 -4.254 8.687 97 2HB GLN 15 2HB GLN 15 -1.831 -2.961 9.183 98 1HG GLN 15 1HG GLN 15 -2.430 -4.181 11.210 99 2HG GLN 15 2HG GLN 15 -1.454 -5.557 10.694 100 1HE2 GLN 15 2HE2 GLN 15 -0.206 -5.192 12.764 101 2HE2 GLN 15 1HE2 GLN 15 0.995 -3.994 12.796 102 H LEU 16 H LEU 16 -2.031 -4.103 6.204 103 HA LEU 16 HA LEU 16 -3.698 -1.780 5.794 104 1HB LEU 16 1HB LEU 16 -1.762 -3.378 4.190 105 2HB LEU 16 2HB LEU 16 -2.929 -2.413 3.288 106 HG LEU 16 HG LEU 16 -2.153 -0.389 4.204 107 1HD1 LEU 16 1HD1 LEU 16 -1.031 -2.139 6.388 108 2HD1 LEU 16 2HD1 LEU 16 -0.416 -0.506 6.142 109 3HD1 LEU 16 3HD1 LEU 16 -2.117 -0.757 6.531 110 1HD2 LEU 16 1HD2 LEU 16 0.004 -2.365 3.592 111 2HD2 LEU 16 2HD2 LEU 16 -0.431 -0.881 2.744 112 3HD2 LEU 16 3HD2 LEU 16 0.489 -0.800 4.246 113 H GLU 17 H GLU 17 -4.434 -5.070 5.701 114 HA GLU 17 HA GLU 17 -6.231 -5.109 3.443 115 1HB GLU 17 1HB GLU 17 -5.623 -6.893 5.736 116 2HB GLU 17 2HB GLU 17 -7.190 -7.096 4.952 117 1HG GLU 17 1HG GLU 17 -5.989 -7.200 2.742 118 2HG GLU 17 2HG GLU 17 -4.467 -7.214 3.633 119 H ASN 18 H ASN 18 -6.580 -4.178 6.809 120 HA ASN 18 HA ASN 18 -9.432 -4.249 6.960 121 1HB ASN 18 1HB ASN 18 -7.636 -3.819 8.809 122 2HB ASN 18 2HB ASN 18 -7.800 -2.130 8.327 123 1HD2 ASN 18 2HD2 ASN 18 -10.204 -1.344 8.245 124 2HD2 ASN 18 1HD2 ASN 18 -11.232 -1.919 9.467 125 H TYR 19 H TYR 19 -7.264 -2.155 5.287 126 HA TYR 19 HA TYR 19 -9.145 0.080 5.094 127 1HB TYR 19 1HB TYR 19 -6.519 -0.506 3.703 128 2HB TYR 19 2HB TYR 19 -7.448 0.976 3.470 129 HD1 TYR 19 HD1 TYR 19 -8.488 1.510 6.161 130 HD2 TYR 19 HD2 TYR 19 -4.611 0.125 4.938 131 HE1 TYR 19 HE1 TYR 19 -7.500 2.462 8.219 132 HE2 TYR 19 HE2 TYR 19 -3.622 1.077 6.996 133 HH TYR 19 HH TYR 19 -5.655 2.502 9.523 134 H CYS 20 H CYS 20 -8.531 -2.841 3.304 135 HA CYS 20 HA CYS 20 -9.255 -2.211 0.704 136 1HB CYS 20 1HB CYS 20 -8.997 -4.464 0.710 137 2HB CYS 20 2HB CYS 20 -9.446 -4.593 2.402 138 H ASN 21 H ASN 21 -11.423 -2.434 -0.372 139 HA ASN 21 HA ASN 21 -13.302 -0.606 0.798 140 1HB ASN 21 1HB ASN 21 -13.204 -2.323 -1.637 141 2HB ASN 21 2HB ASN 21 -14.796 -1.777 -1.106 142 1HD2 ASN 21 2HD2 ASN 21 -12.342 -0.912 -3.140 143 2HD2 ASN 21 1HD2 ASN 21 -12.535 0.775 -3.132 144 1H GLU 1 1H GLU 1 17.516 -8.157 -4.890 145 2H GLU 1 2H GLU 1 17.031 -7.770 -6.471 146 3H GLU 1 3H GLU 1 17.736 -6.582 -5.488 147 HA GLU 1 HA GLU 1 15.803 -6.033 -4.585 148 1HB GLU 1 1HB GLU 1 13.769 -6.849 -5.762 149 2HB GLU 1 2HB GLU 1 15.031 -6.354 -6.890 150 1HG GLU 1 1HG GLU 1 14.810 -8.390 -7.839 151 2HG GLU 1 2HG GLU 1 15.599 -9.035 -6.399 152 H VAL 2 H VAL 2 14.668 -6.542 -2.737 153 HA VAL 2 HA VAL 2 13.656 -9.143 -2.103 154 HB VAL 2 HB VAL 2 16.151 -9.566 -1.935 155 1HG1 VAL 2 1HG1 VAL 2 16.373 -7.164 -0.838 156 2HG1 VAL 2 2HG1 VAL 2 16.078 -8.058 0.653 157 3HG1 VAL 2 3HG1 VAL 2 17.459 -8.469 -0.363 158 1HG2 VAL 2 1HG2 VAL 2 14.032 -10.166 -0.050 159 2HG2 VAL 2 2HG2 VAL 2 15.349 -11.200 -0.602 160 3HG2 VAL 2 3HG2 VAL 2 15.592 -10.121 0.772 161 H ASN 3 H ASN 3 12.054 -8.738 -0.657 162 HA ASN 3 HA ASN 3 10.817 -7.674 1.029 163 1HB ASN 3 1HB ASN 3 13.504 -6.598 1.931 164 2HB ASN 3 2HB ASN 3 12.043 -6.760 2.907 165 1HD2 ASN 3 2HD2 ASN 3 11.178 -9.339 2.197 166 2HD2 ASN 3 1HD2 ASN 3 12.344 -10.479 2.667 167 H GLN 4 H GLN 4 10.470 -6.366 -1.215 168 HA GLN 4 HA GLN 4 11.459 -3.809 -1.671 169 1HB GLN 4 1HB GLN 4 9.008 -5.243 -2.308 170 2HB GLN 4 2HB GLN 4 8.698 -3.523 -2.057 171 1HG GLN 4 1HG GLN 4 9.423 -3.237 -4.182 172 2HG GLN 4 2HG GLN 4 11.039 -3.530 -3.541 173 1HE2 GLN 4 2HE2 GLN 4 9.191 -4.480 -6.051 174 2HE2 GLN 4 1HE2 GLN 4 9.688 -6.095 -6.215 175 H HIS 5 H HIS 5 10.619 -1.672 -1.050 176 HA HIS 5 HA HIS 5 9.563 -1.687 1.747 177 1HB HIS 5 1HB HIS 5 11.613 -0.040 0.346 178 2HB HIS 5 2HB HIS 5 10.591 0.786 1.523 179 HD1 HIS 5 HD1 HIS 5 12.951 0.931 2.888 180 HD2 HIS 5 HD2 HIS 5 11.221 -2.848 2.574 181 HE1 HIS 5 HE1 HIS 5 14.048 -0.508 4.660 182 H LEU 6 H LEU 6 8.763 0.907 1.999 183 HA LEU 6 HA LEU 6 6.931 1.504 -0.262 184 1HB LEU 6 1HB LEU 6 5.815 1.507 2.527 185 2HB LEU 6 2HB LEU 6 4.971 1.324 0.989 186 HG LEU 6 HG LEU 6 6.365 -0.873 0.783 187 1HD1 LEU 6 1HD1 LEU 6 7.230 0.071 3.305 188 2HD1 LEU 6 2HD1 LEU 6 6.199 -1.323 3.628 189 3HD1 LEU 6 3HD1 LEU 6 7.596 -1.487 2.564 190 1HD2 LEU 6 1HD2 LEU 6 3.889 -0.703 1.065 191 2HD2 LEU 6 2HD2 LEU 6 4.571 -2.107 1.885 192 3HD2 LEU 6 3HD2 LEU 6 4.120 -0.677 2.813 193 H CYS 7 H CYS 7 8.738 3.193 -0.256 194 HA CYS 7 HA CYS 7 7.869 5.486 1.439 195 1HB CYS 7 1HB CYS 7 10.267 4.099 1.805 196 2HB CYS 7 2HB CYS 7 10.725 5.529 0.881 197 H GLY 8 H GLY 8 6.965 6.729 -0.193 198 1HA GLY 8 1HA GLY 8 7.630 8.528 -1.786 199 2HA GLY 8 2HA GLY 8 8.765 7.379 -2.493 200 H SER 9 H SER 9 5.274 7.330 -1.681 201 HA SER 9 HA SER 9 3.432 6.773 -3.026 202 1HB SER 9 1HB SER 9 5.385 7.914 -4.847 203 2HB SER 9 2HB SER 9 4.460 6.642 -5.638 204 HG SER 9 HG SER 9 3.426 8.870 -4.204 205 H GLU 10 H GLU 10 5.652 4.824 -2.140 206 HA GLU 10 HA GLU 10 5.200 2.674 -4.150 207 1HB GLU 10 1HB GLU 10 7.176 3.035 -1.897 208 2HB GLU 10 2HB GLU 10 6.922 1.462 -2.652 209 1HG GLU 10 1HG GLU 10 7.619 3.983 -4.184 210 2HG GLU 10 2HG GLU 10 8.802 2.775 -3.680 211 H LEU 11 H LEU 11 3.808 3.813 -1.342 212 HA LEU 11 HA LEU 11 3.240 1.209 -0.120 213 1HB LEU 11 1HB LEU 11 3.417 3.376 1.185 214 2HB LEU 11 2HB LEU 11 1.888 3.859 0.451 215 HG LEU 11 HG LEU 11 0.727 2.004 1.441 216 1HD1 LEU 11 1HD1 LEU 11 3.512 1.066 2.143 217 2HD1 LEU 11 2HD1 LEU 11 2.085 0.442 2.970 218 3HD1 LEU 11 3HD1 LEU 11 2.267 0.211 1.231 219 1HD2 LEU 11 1HD2 LEU 11 2.617 3.420 3.329 220 2HD2 LEU 11 2HD2 LEU 11 0.927 3.795 2.997 221 3HD2 LEU 11 3HD2 LEU 11 1.343 2.345 3.910 222 H VAL 12 H VAL 12 1.826 3.258 -2.535 223 HA VAL 12 HA VAL 12 -0.885 2.411 -2.337 224 HB VAL 12 HB VAL 12 0.614 4.070 -4.035 225 1HG1 VAL 12 1HG1 VAL 12 0.872 2.035 -5.527 226 2HG1 VAL 12 2HG1 VAL 12 -0.881 2.052 -5.726 227 3HG1 VAL 12 3HG1 VAL 12 0.085 3.418 -6.285 228 1HG2 VAL 12 1HG2 VAL 12 -1.915 3.919 -3.070 229 2HG2 VAL 12 2HG2 VAL 12 -1.425 5.050 -4.331 230 3HG2 VAL 12 3HG2 VAL 12 -2.205 3.530 -4.765 231 H GLU 13 H GLU 13 1.894 1.007 -4.046 232 HA GLU 13 HA GLU 13 0.513 -1.092 -5.380 233 1HB GLU 13 1HB GLU 13 2.916 -0.500 -5.756 234 2HB GLU 13 2HB GLU 13 3.298 -1.195 -4.179 235 1HG GLU 13 1HG GLU 13 2.548 -3.383 -4.887 236 2HG GLU 13 2HG GLU 13 1.935 -2.731 -6.407 237 H ALA 14 H ALA 14 1.954 -0.941 -2.136 238 HA ALA 14 HA ALA 14 1.382 -3.615 -1.344 239 1HB ALA 14 1HB ALA 14 2.496 -1.360 -0.144 240 2HB ALA 14 2HB ALA 14 1.046 -1.669 0.810 241 3HB ALA 14 3HB ALA 14 2.264 -2.930 0.625 242 H LEU 15 H LEU 15 -0.589 -0.669 -1.255 243 HA LEU 15 HA LEU 15 -2.795 -1.863 0.164 244 1HB LEU 15 1HB LEU 15 -2.494 0.590 -1.568 245 2HB LEU 15 2HB LEU 15 -4.068 0.103 -0.938 246 HG LEU 15 HG LEU 15 -1.823 0.155 1.007 247 1HD1 LEU 15 1HD1 LEU 15 -2.189 2.359 -0.678 248 2HD1 LEU 15 2HD1 LEU 15 -3.078 2.773 0.788 249 3HD1 LEU 15 3HD1 LEU 15 -1.366 2.362 0.883 250 1HD2 LEU 15 1HD2 LEU 15 -4.398 -0.354 1.302 251 2HD2 LEU 15 2HD2 LEU 15 -3.541 0.586 2.528 252 3HD2 LEU 15 3HD2 LEU 15 -4.536 1.406 1.325 253 H GLU 16 H GLU 16 -1.734 -1.964 -3.143 254 HA GLU 16 HA GLU 16 -4.237 -2.604 -4.386 255 1HB GLU 16 1HB GLU 16 -1.376 -3.292 -5.097 256 2HB GLU 16 2HB GLU 16 -2.749 -3.736 -6.114 257 1HG GLU 16 1HG GLU 16 -2.544 -0.896 -5.202 258 2HG GLU 16 2HG GLU 16 -1.453 -1.436 -6.479 259 H LEU 17 H LEU 17 -2.010 -4.413 -2.431 260 HA LEU 17 HA LEU 17 -3.132 -7.029 -3.139 261 1HB LEU 17 1HB LEU 17 -0.780 -6.845 -2.453 262 2HB LEU 17 2HB LEU 17 -1.269 -6.153 -0.908 263 HG LEU 17 HG LEU 17 -0.707 -8.674 -0.959 264 1HD1 LEU 17 1HD1 LEU 17 -2.617 -7.150 0.490 265 2HD1 LEU 17 2HD1 LEU 17 -3.344 -8.726 0.179 266 3HD1 LEU 17 3HD1 LEU 17 -1.791 -8.619 1.008 267 1HD2 LEU 17 1HD2 LEU 17 -2.280 -8.827 -3.090 268 2HD2 LEU 17 2HD2 LEU 17 -2.194 -10.163 -1.943 269 3HD2 LEU 17 3HD2 LEU 17 -3.541 -9.027 -1.874 270 H VAL 18 H VAL 18 -3.799 -4.461 -0.937 271 HA VAL 18 HA VAL 18 -5.050 -5.827 1.194 272 HB VAL 18 HB VAL 18 -5.535 -3.124 -0.065 273 1HG1 VAL 18 1HG1 VAL 18 -7.179 -4.593 1.910 274 2HG1 VAL 18 2HG1 VAL 18 -6.741 -2.949 2.371 275 3HG1 VAL 18 3HG1 VAL 18 -7.612 -3.237 0.866 276 1HG2 VAL 18 1HG2 VAL 18 -4.345 -4.072 2.558 277 2HG2 VAL 18 2HG2 VAL 18 -3.454 -3.422 1.184 278 3HG2 VAL 18 3HG2 VAL 18 -4.545 -2.382 2.098 279 H CYS 19 H CYS 19 -7.099 -4.033 -1.067 280 HA CYS 19 HA CYS 19 -9.046 -6.259 -0.929 281 1HB CYS 19 1HB CYS 19 -9.383 -3.529 -0.846 282 2HB CYS 19 2HB CYS 19 -9.736 -3.883 -2.536 283 H GLY 20 H GLY 20 -7.609 -4.167 -3.452 284 1HA GLY 20 1HA GLY 20 -6.747 -4.818 -5.557 285 2HA GLY 20 2HA GLY 20 -7.141 -6.489 -5.163 286 H GLU 21 H GLU 21 -9.625 -6.901 -5.104 287 HA GLU 21 HA GLU 21 -10.673 -6.401 -7.698 288 1HB GLU 21 1HB GLU 21 -11.412 -7.926 -5.442 289 2HB GLU 21 2HB GLU 21 -12.790 -6.883 -5.793 290 1HG GLU 21 1HG GLU 21 -11.387 -8.436 -7.970 291 2HG GLU 21 2HG GLU 21 -12.702 -9.139 -7.029 292 H ARG 22 H ARG 22 -12.384 -5.338 -4.767 293 HA ARG 22 HA ARG 22 -13.638 -3.147 -6.165 294 1HB ARG 22 1HB ARG 22 -13.521 -4.113 -3.337 295 2HB ARG 22 2HB ARG 22 -14.074 -2.463 -3.627 296 1HG ARG 22 1HG ARG 22 -15.414 -3.925 -5.564 297 2HG ARG 22 2HG ARG 22 -15.427 -4.995 -4.162 298 1HD ARG 22 1HD ARG 22 -16.072 -2.101 -3.773 299 2HD ARG 22 2HD ARG 22 -17.309 -3.149 -4.461 300 HE ARG 22 HE ARG 22 -16.548 -3.000 -1.701 301 1HH1 ARG 22 1HH1 ARG 22 -17.228 -5.316 -4.167 302 2HH1 ARG 22 2HH1 ARG 22 -17.512 -6.608 -3.048 303 1HH2 ARG 22 1HH2 ARG 22 -16.926 -4.664 -0.240 304 2HH2 ARG 22 2HH2 ARG 22 -17.347 -6.238 -0.828 305 H GLY 23 H GLY 23 -10.660 -3.509 -4.415 306 1HA GLY 23 1HA GLY 23 -8.872 -1.870 -4.769 307 2HA GLY 23 2HA GLY 23 -10.109 -0.619 -4.901 308 H PHE 24 H PHE 24 -8.384 0.195 -3.185 309 HA PHE 24 HA PHE 24 -9.396 -0.623 -0.489 310 1HB PHE 24 1HB PHE 24 -7.069 0.378 0.221 311 2HB PHE 24 2HB PHE 24 -7.141 -1.261 -0.424 312 HD1 PHE 24 HD1 PHE 24 -6.613 -1.666 -2.861 313 HD2 PHE 24 HD2 PHE 24 -5.947 2.127 -0.958 314 HE1 PHE 24 HE1 PHE 24 -5.122 -0.994 -4.718 315 HE2 PHE 24 HE2 PHE 24 -4.457 2.797 -2.815 316 HZ PHE 24 HZ PHE 24 -4.040 1.238 -4.698 317 H PHE 25 H PHE 25 -8.487 1.404 1.044 318 HA PHE 25 HA PHE 25 -9.655 3.836 -0.242 319 1HB PHE 25 1HB PHE 25 -11.093 3.963 1.492 320 2HB PHE 25 2HB PHE 25 -10.446 2.451 2.115 321 HD1 PHE 25 HD1 PHE 25 -8.644 2.454 3.812 322 HD2 PHE 25 HD2 PHE 25 -10.462 6.098 2.447 323 HE1 PHE 25 HE1 PHE 25 -7.698 3.658 5.763 324 HE2 PHE 25 HE2 PHE 25 -9.519 7.300 4.403 325 HZ PHE 25 HZ PHE 25 -8.136 6.080 6.058 326 H TYR 26 H TYR 26 -7.940 5.120 -0.784 327 HA TYR 26 HA TYR 26 -5.623 5.197 1.081 328 1HB TYR 26 1HB TYR 26 -5.564 4.862 -1.582 329 2HB TYR 26 2HB TYR 26 -5.526 6.628 -1.527 330 HD1 TYR 26 HD1 TYR 26 -4.039 7.288 0.825 331 HD2 TYR 26 HD2 TYR 26 -3.396 4.062 -1.928 332 HE1 TYR 26 HE1 TYR 26 -1.656 7.221 1.473 333 HE2 TYR 26 HE2 TYR 26 -1.006 3.987 -1.282 334 HH TYR 26 HH TYR 26 0.666 5.289 -0.273 335 H GLU 27 H GLU 27 -6.192 6.665 2.650 336 HA GLU 27 HA GLU 27 -6.245 9.486 1.862 337 1HB GLU 27 1HB GLU 27 -8.663 8.070 2.947 338 2HB GLU 27 2HB GLU 27 -8.375 9.751 3.391 339 1HG GLU 27 1HG GLU 27 -8.613 8.652 0.576 340 2HG GLU 27 2HG GLU 27 -9.784 9.679 1.401 341 HA PRO 28 HA PRO 28 -3.903 8.481 5.680 342 1HB PRO 28 1HB PRO 28 -2.325 10.812 5.107 343 2HB PRO 28 2HB PRO 28 -1.838 9.113 5.003 344 1HG PRO 28 1HG PRO 28 -2.374 10.935 2.833 345 2HG PRO 28 2HG PRO 28 -1.857 9.247 2.737 346 1HD PRO 28 1HD PRO 28 -4.445 10.319 2.122 347 2HD PRO 28 2HD PRO 28 -3.935 8.625 2.080 348 H LYS 29 H LYS 29 -5.528 9.119 7.131 349 HA LYS 29 HA LYS 29 -6.865 11.513 7.418 350 1HB LYS 29 1HB LYS 29 -6.665 11.062 9.964 351 2HB LYS 29 2HB LYS 29 -7.415 9.815 8.966 352 1HG LYS 29 1HG LYS 29 -4.488 9.586 9.150 353 2HG LYS 29 2HG LYS 29 -5.318 9.381 10.693 354 1HD LYS 29 1HD LYS 29 -6.918 7.903 9.045 355 2HD LYS 29 2HD LYS 29 -5.338 7.646 8.302 356 1HE LYS 29 1HE LYS 29 -4.489 6.559 10.152 357 2HE LYS 29 2HE LYS 29 -5.512 7.454 11.276 358 1HZ LYS 29 1HZ LYS 29 -6.596 5.471 9.363 359 2HZ LYS 29 2HZ LYS 29 -6.091 5.048 10.929 360 3HZ LYS 29 3HZ LYS 29 -7.365 6.148 10.720 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -2.780 5.424 9.730 2 2H GLY 1 2H GLY 1 -1.886 6.424 10.773 3 3H GLY 1 3H GLY 1 -3.386 6.946 10.179 4 1HA GLY 1 1HA GLY 1 -2.443 7.846 8.410 5 2HA GLY 1 2HA GLY 1 -0.875 7.390 9.077 6 H ILE 2 H ILE 2 -2.927 6.940 6.468 7 HA ILE 2 HA ILE 2 -1.881 4.231 5.846 8 HB ILE 2 HB ILE 2 -4.257 4.512 5.458 9 1HG1 ILE 2 1HG1 ILE 2 -2.830 4.680 2.784 10 2HG1 ILE 2 2HG1 ILE 2 -2.906 3.217 3.769 11 1HG2 ILE 2 1HG2 ILE 2 -3.355 6.952 3.919 12 2HG2 ILE 2 2HG2 ILE 2 -4.952 6.239 3.696 13 3HG2 ILE 2 3HG2 ILE 2 -4.482 6.876 5.272 14 1HD1 ILE 2 1HD1 ILE 2 -5.314 4.739 2.727 15 2HD1 ILE 2 2HD1 ILE 2 -4.674 3.251 2.026 16 3HD1 ILE 2 3HD1 ILE 2 -5.354 3.239 3.655 17 H GLY 3 H GLY 3 -0.960 7.403 5.416 18 1HA GLY 3 1HA GLY 3 -0.140 7.498 2.697 19 2HA GLY 3 2HA GLY 3 0.631 8.398 4.005 20 H GLU 4 H GLU 4 2.704 7.940 2.983 21 HA GLU 4 HA GLU 4 3.560 5.126 2.868 22 1HB GLU 4 1HB GLU 4 5.117 7.682 2.368 23 2HB GLU 4 2HB GLU 4 5.667 6.047 1.998 24 1HG GLU 4 1HG GLU 4 4.652 6.207 -0.004 25 2HG GLU 4 2HG GLU 4 3.104 6.286 0.836 26 H GLN 5 H GLN 5 2.964 6.877 5.416 27 HA GLN 5 HA GLN 5 5.256 7.291 6.949 28 1HB GLN 5 1HB GLN 5 2.456 6.489 7.552 29 2HB GLN 5 2HB GLN 5 3.639 6.190 8.826 30 1HG GLN 5 1HG GLN 5 3.168 8.847 7.439 31 2HG GLN 5 2HG GLN 5 2.650 8.432 9.073 32 1HE2 GLN 5 2HE2 GLN 5 4.405 10.618 8.701 33 2HE2 GLN 5 1HE2 GLN 5 5.936 10.215 9.314 34 H CYS 6 H CYS 6 3.639 4.232 6.182 35 HA CYS 6 HA CYS 6 5.122 2.524 7.897 36 1HB CYS 6 1HB CYS 6 3.444 2.236 5.508 37 2HB CYS 6 2HB CYS 6 4.719 1.021 5.603 38 H CYS 7 H CYS 7 7.321 3.279 7.878 39 HA CYS 7 HA CYS 7 8.850 2.310 5.514 40 1HB CYS 7 1HB CYS 7 8.458 4.915 5.638 41 2HB CYS 7 2HB CYS 7 9.706 4.845 6.882 42 H THR 8 H THR 8 11.330 2.366 6.194 43 HA THR 8 HA THR 8 12.999 1.689 7.717 44 HB THR 8 HB THR 8 11.260 1.741 10.102 45 HG1 THR 8 HG1 THR 8 11.621 3.980 8.419 46 1HG2 THR 8 1HG2 THR 8 13.948 1.882 9.561 47 2HG2 THR 8 2HG2 THR 8 13.546 3.575 9.846 48 3HG2 THR 8 3HG2 THR 8 13.205 2.367 11.086 49 H SER 9 H SER 9 10.414 0.070 6.777 50 HA SER 9 HA SER 9 11.345 -2.503 7.444 51 1HB SER 9 1HB SER 9 9.072 -2.706 9.056 52 2HB SER 9 2HB SER 9 10.744 -2.731 9.608 53 HG SER 9 HG SER 9 9.300 -0.339 9.134 54 H ILE 10 H ILE 10 9.673 -4.203 6.892 55 HA ILE 10 HA ILE 10 7.930 -3.148 4.748 56 HB ILE 10 HB ILE 10 8.849 -5.921 5.523 57 1HG1 ILE 10 1HG1 ILE 10 9.122 -4.298 2.973 58 2HG1 ILE 10 2HG1 ILE 10 10.370 -4.434 4.213 59 1HG2 ILE 10 1HG2 ILE 10 6.576 -5.053 3.777 60 2HG2 ILE 10 2HG2 ILE 10 7.557 -6.422 3.255 61 3HG2 ILE 10 3HG2 ILE 10 6.717 -6.479 4.805 62 1HD1 ILE 10 1HD1 ILE 10 9.159 -6.874 2.913 63 2HD1 ILE 10 2HD1 ILE 10 10.540 -6.038 2.207 64 3HD1 ILE 10 3HD1 ILE 10 10.671 -6.752 3.813 65 H CYS 11 H CYS 11 6.026 -2.396 5.607 66 HA CYS 11 HA CYS 11 4.749 -3.482 7.933 67 1HB CYS 11 1HB CYS 11 3.851 -1.690 5.683 68 2HB CYS 11 2HB CYS 11 2.695 -2.259 6.887 69 H SER 12 H SER 12 4.255 -5.657 7.879 70 HA SER 12 HA SER 12 3.601 -7.275 5.725 71 1HB SER 12 1HB SER 12 2.397 -7.327 8.507 72 2HB SER 12 2HB SER 12 2.221 -8.626 7.330 73 HG SER 12 HG SER 12 4.436 -7.805 8.800 74 H LEU 13 H LEU 13 1.949 -7.319 4.275 75 HA LEU 13 HA LEU 13 -0.034 -5.316 4.112 76 1HB LEU 13 1HB LEU 13 0.660 -7.690 2.676 77 2HB LEU 13 2HB LEU 13 -1.085 -7.646 2.917 78 HG LEU 13 HG LEU 13 -0.257 -5.006 2.263 79 1HD1 LEU 13 1HD1 LEU 13 1.703 -6.475 1.300 80 2HD1 LEU 13 2HD1 LEU 13 0.526 -6.874 0.049 81 3HD1 LEU 13 3HD1 LEU 13 0.998 -5.195 0.313 82 1HD2 LEU 13 1HD2 LEU 13 -1.820 -7.171 0.836 83 2HD2 LEU 13 2HD2 LEU 13 -2.461 -5.821 1.772 84 3HD2 LEU 13 3HD2 LEU 13 -1.684 -5.526 0.215 85 H TYR 14 H TYR 14 -0.004 -8.321 5.886 86 HA TYR 14 HA TYR 14 -2.641 -8.945 6.342 87 1HB TYR 14 1HB TYR 14 -0.885 -10.142 7.498 88 2HB TYR 14 2HB TYR 14 -0.426 -8.696 8.398 89 HD1 TYR 14 HD1 TYR 14 -3.374 -10.928 7.768 90 HD2 TYR 14 HD2 TYR 14 -1.356 -8.306 10.505 91 HE1 TYR 14 HE1 TYR 14 -5.019 -11.498 9.524 92 HE2 TYR 14 HE2 TYR 14 -3.001 -8.874 12.262 93 HH TYR 14 HH TYR 14 -5.207 -9.750 12.505 94 H GLN 15 H GLN 15 -0.920 -6.130 7.646 95 HA GLN 15 HA GLN 15 -3.241 -5.260 9.197 96 1HB GLN 15 1HB GLN 15 -0.443 -4.334 8.721 97 2HB GLN 15 2HB GLN 15 -1.620 -3.153 9.274 98 1HG GLN 15 1HG GLN 15 -2.024 -4.300 11.283 99 2HG GLN 15 2HG GLN 15 -1.394 -5.818 10.639 100 1HE2 GLN 15 2HE2 GLN 15 0.798 -6.273 11.038 101 2HE2 GLN 15 1HE2 GLN 15 1.905 -5.157 11.678 102 H LEU 16 H LEU 16 -1.586 -4.337 6.190 103 HA LEU 16 HA LEU 16 -3.151 -1.999 5.655 104 1HB LEU 16 1HB LEU 16 -1.338 -3.781 4.110 105 2HB LEU 16 2HB LEU 16 -2.460 -2.794 3.173 106 HG LEU 16 HG LEU 16 -1.612 -0.768 4.108 107 1HD1 LEU 16 1HD1 LEU 16 -0.407 -2.629 6.137 108 2HD1 LEU 16 2HD1 LEU 16 0.336 -1.056 5.851 109 3HD1 LEU 16 3HD1 LEU 16 -1.338 -1.154 6.398 110 1HD2 LEU 16 1HD2 LEU 16 0.619 -2.729 3.502 111 2HD2 LEU 16 2HD2 LEU 16 -0.151 -1.603 2.384 112 3HD2 LEU 16 3HD2 LEU 16 0.880 -0.994 3.679 113 H GLU 17 H GLU 17 -3.993 -5.312 5.560 114 HA GLU 17 HA GLU 17 -5.866 -5.306 3.394 115 1HB GLU 17 1HB GLU 17 -5.398 -7.005 5.799 116 2HB GLU 17 2HB GLU 17 -6.938 -7.163 4.956 117 1HG GLU 17 1HG GLU 17 -5.286 -7.182 2.827 118 2HG GLU 17 2HG GLU 17 -4.201 -7.875 4.035 119 H ASN 18 H ASN 18 -6.029 -4.058 6.632 120 HA ASN 18 HA ASN 18 -8.896 -3.966 6.874 121 1HB ASN 18 1HB ASN 18 -6.686 -2.334 8.149 122 2HB ASN 18 2HB ASN 18 -8.387 -2.162 8.582 123 1HD2 ASN 18 2HD2 ASN 18 -7.796 -2.980 10.782 124 2HD2 ASN 18 1HD2 ASN 18 -7.574 -4.645 11.023 125 H TYR 19 H TYR 19 -6.599 -2.082 5.104 126 HA TYR 19 HA TYR 19 -8.297 0.279 4.852 127 1HB TYR 19 1HB TYR 19 -5.788 -0.622 3.417 128 2HB TYR 19 2HB TYR 19 -6.600 0.910 3.085 129 HD1 TYR 19 HD1 TYR 19 -7.361 2.132 5.428 130 HD2 TYR 19 HD2 TYR 19 -3.975 -0.452 4.877 131 HE1 TYR 19 HE1 TYR 19 -6.264 3.149 7.398 132 HE2 TYR 19 HE2 TYR 19 -2.876 0.566 6.846 133 HH TYR 19 HH TYR 19 -4.561 2.930 8.873 134 H CYS 20 H CYS 20 -8.205 -2.793 3.339 135 HA CYS 20 HA CYS 20 -8.921 -2.294 0.694 136 1HB CYS 20 1HB CYS 20 -8.846 -4.551 1.056 137 2HB CYS 20 2HB CYS 20 -9.549 -4.437 2.661 138 H ASN 21 H ASN 21 -11.170 -2.365 -0.251 139 HA ASN 21 HA ASN 21 -12.731 -0.188 0.850 140 1HB ASN 21 1HB ASN 21 -12.484 -1.304 -1.644 141 2HB ASN 21 2HB ASN 21 -14.055 -1.925 -1.133 142 1HD2 ASN 21 2HD2 ASN 21 -12.694 0.631 -2.735 143 2HD2 ASN 21 1HD2 ASN 21 -13.850 1.830 -2.404 144 1H GLU 1 1H GLU 1 16.839 -7.770 -6.499 145 2H GLU 1 2H GLU 1 16.018 -6.283 -6.574 146 3H GLU 1 3H GLU 1 17.622 -6.345 -6.016 147 HA GLU 1 HA GLU 1 17.012 -7.454 -4.039 148 1HB GLU 1 1HB GLU 1 16.058 -4.907 -4.738 149 2HB GLU 1 2HB GLU 1 14.694 -5.704 -3.953 150 1HG GLU 1 1HG GLU 1 15.987 -6.167 -1.984 151 2HG GLU 1 2HG GLU 1 17.484 -5.677 -2.779 152 H VAL 2 H VAL 2 15.331 -8.523 -2.765 153 HA VAL 2 HA VAL 2 13.196 -9.712 -4.493 154 HB VAL 2 HB VAL 2 13.296 -11.651 -2.893 155 1HG1 VAL 2 1HG1 VAL 2 15.175 -10.882 -4.929 156 2HG1 VAL 2 2HG1 VAL 2 16.022 -11.806 -3.687 157 3HG1 VAL 2 3HG1 VAL 2 14.621 -12.502 -4.502 158 1HG2 VAL 2 1HG2 VAL 2 14.368 -10.197 -1.070 159 2HG2 VAL 2 2HG2 VAL 2 15.054 -11.807 -1.288 160 3HG2 VAL 2 3HG2 VAL 2 15.882 -10.398 -1.950 161 H ASN 3 H ASN 3 13.466 -7.335 -2.391 162 HA ASN 3 HA ASN 3 10.841 -7.952 -1.119 163 1HB ASN 3 1HB ASN 3 13.250 -6.735 0.265 164 2HB ASN 3 2HB ASN 3 11.640 -6.869 0.970 165 1HD2 ASN 3 2HD2 ASN 3 14.596 -8.419 0.908 166 2HD2 ASN 3 1HD2 ASN 3 14.086 -9.996 1.272 167 H GLN 4 H GLN 4 10.076 -5.720 -0.022 168 HA GLN 4 HA GLN 4 10.891 -3.378 -1.622 169 1HB GLN 4 1HB GLN 4 8.117 -4.589 -1.745 170 2HB GLN 4 2HB GLN 4 8.488 -2.949 -2.276 171 1HG GLN 4 1HG GLN 4 10.023 -3.763 -3.954 172 2HG GLN 4 2HG GLN 4 9.902 -5.411 -3.336 173 1HE2 GLN 4 2HE2 GLN 4 9.032 -3.970 -6.008 174 2HE2 GLN 4 1HE2 GLN 4 7.454 -4.551 -6.244 175 H HIS 5 H HIS 5 10.518 -1.466 -0.502 176 HA HIS 5 HA HIS 5 9.148 -1.752 2.143 177 1HB HIS 5 1HB HIS 5 11.050 0.484 1.492 178 2HB HIS 5 2HB HIS 5 10.665 -0.225 3.061 179 HD1 HIS 5 HD1 HIS 5 13.513 -0.003 1.256 180 HD2 HIS 5 HD2 HIS 5 11.353 -3.373 2.421 181 HE1 HIS 5 HE1 HIS 5 15.133 -1.949 1.199 182 H LEU 6 H LEU 6 7.695 -0.056 2.765 183 HA LEU 6 HA LEU 6 6.471 1.327 0.468 184 1HB LEU 6 1HB LEU 6 5.608 1.500 3.361 185 2HB LEU 6 2HB LEU 6 4.636 1.804 1.923 186 HG LEU 6 HG LEU 6 3.924 -0.337 2.472 187 1HD1 LEU 6 1HD1 LEU 6 5.320 -0.175 0.198 188 2HD1 LEU 6 2HD1 LEU 6 6.329 -1.359 1.029 189 3HD1 LEU 6 3HD1 LEU 6 4.621 -1.698 0.748 190 1HD2 LEU 6 1HD2 LEU 6 6.281 -0.340 4.035 191 2HD2 LEU 6 2HD2 LEU 6 4.970 -1.519 4.072 192 3HD2 LEU 6 3HD2 LEU 6 6.361 -1.778 3.018 193 H CYS 7 H CYS 7 8.075 2.943 -0.009 194 HA CYS 7 HA CYS 7 7.892 5.288 1.750 195 1HB CYS 7 1HB CYS 7 10.040 3.498 2.045 196 2HB CYS 7 2HB CYS 7 10.679 4.849 1.114 197 H GLY 8 H GLY 8 7.363 6.811 0.246 198 1HA GLY 8 1HA GLY 8 8.278 8.311 -1.503 199 2HA GLY 8 2HA GLY 8 8.985 6.885 -2.266 200 H SER 9 H SER 9 5.695 7.399 -0.987 201 HA SER 9 HA SER 9 3.614 7.146 -2.040 202 1HB SER 9 1HB SER 9 3.360 8.406 -3.937 203 2HB SER 9 2HB SER 9 4.992 8.935 -3.533 204 HG SER 9 HG SER 9 4.091 7.226 -5.530 205 H GLU 10 H GLU 10 5.391 4.822 -1.803 206 HA GLU 10 HA GLU 10 4.610 3.312 -4.249 207 1HB GLU 10 1HB GLU 10 6.705 2.476 -4.225 208 2HB GLU 10 2HB GLU 10 7.077 3.531 -2.863 209 1HG GLU 10 1HG GLU 10 6.447 1.867 -1.286 210 2HG GLU 10 2HG GLU 10 5.758 0.840 -2.541 211 H LEU 11 H LEU 11 3.772 3.837 -1.040 212 HA LEU 11 HA LEU 11 3.136 1.239 -0.091 213 1HB LEU 11 1HB LEU 11 3.049 3.201 1.367 214 2HB LEU 11 2HB LEU 11 1.717 3.870 0.423 215 HG LEU 11 HG LEU 11 0.394 1.794 0.972 216 1HD1 LEU 11 1HD1 LEU 11 2.929 1.248 2.463 217 2HD1 LEU 11 2HD1 LEU 11 1.409 0.735 3.196 218 3HD1 LEU 11 3HD1 LEU 11 1.870 0.126 1.605 219 1HD2 LEU 11 1HD2 LEU 11 0.673 4.097 2.380 220 2HD2 LEU 11 2HD2 LEU 11 -0.448 2.815 2.838 221 3HD2 LEU 11 3HD2 LEU 11 1.133 2.923 3.614 222 H VAL 12 H VAL 12 1.738 3.039 -2.668 223 HA VAL 12 HA VAL 12 -0.930 2.002 -2.551 224 HB VAL 12 HB VAL 12 0.572 3.687 -4.273 225 1HG1 VAL 12 1HG1 VAL 12 0.900 1.642 -5.693 226 2HG1 VAL 12 2HG1 VAL 12 -0.854 1.527 -5.844 227 3HG1 VAL 12 3HG1 VAL 12 -0.002 2.927 -6.496 228 1HG2 VAL 12 1HG2 VAL 12 -2.190 3.046 -3.597 229 2HG2 VAL 12 2HG2 VAL 12 -1.466 4.606 -3.991 230 3HG2 VAL 12 3HG2 VAL 12 -2.022 3.539 -5.281 231 H GLU 13 H GLU 13 2.079 0.766 -3.944 232 HA GLU 13 HA GLU 13 0.941 -1.501 -5.278 233 1HB GLU 13 1HB GLU 13 3.316 -0.606 -5.529 234 2HB GLU 13 2HB GLU 13 3.682 -1.388 -3.991 235 1HG GLU 13 1HG GLU 13 4.182 -3.192 -5.282 236 2HG GLU 13 2HG GLU 13 2.433 -3.419 -5.334 237 H ALA 14 H ALA 14 2.330 -1.106 -2.012 238 HA ALA 14 HA ALA 14 1.898 -3.786 -1.141 239 1HB ALA 14 1HB ALA 14 2.503 -1.192 0.102 240 2HB ALA 14 2HB ALA 14 1.555 -2.261 1.138 241 3HB ALA 14 3HB ALA 14 3.111 -2.798 0.504 242 H LEU 15 H LEU 15 -0.224 -1.007 -1.386 243 HA LEU 15 HA LEU 15 -2.384 -2.216 0.149 244 1HB LEU 15 1HB LEU 15 -2.137 0.219 -1.616 245 2HB LEU 15 2HB LEU 15 -3.696 -0.296 -0.976 246 HG LEU 15 HG LEU 15 -1.408 -0.111 0.925 247 1HD1 LEU 15 1HD1 LEU 15 -1.466 1.995 -0.553 248 2HD1 LEU 15 2HD1 LEU 15 -3.037 2.322 0.179 249 3HD1 LEU 15 3HD1 LEU 15 -1.592 2.246 1.188 250 1HD2 LEU 15 1HD2 LEU 15 -4.239 -0.474 0.991 251 2HD2 LEU 15 2HD2 LEU 15 -3.121 -0.416 2.357 252 3HD2 LEU 15 3HD2 LEU 15 -3.881 1.069 1.780 253 H GLU 16 H GLU 16 -1.286 -2.331 -3.141 254 HA GLU 16 HA GLU 16 -3.699 -2.944 -4.493 255 1HB GLU 16 1HB GLU 16 -0.818 -3.623 -4.952 256 2HB GLU 16 2HB GLU 16 -2.055 -4.402 -5.936 257 1HG GLU 16 1HG GLU 16 -2.468 -1.513 -5.645 258 2HG GLU 16 2HG GLU 16 -0.953 -1.922 -6.450 259 H LEU 17 H LEU 17 -1.599 -4.955 -2.494 260 HA LEU 17 HA LEU 17 -3.013 -7.419 -3.178 261 1HB LEU 17 1HB LEU 17 -0.734 -7.680 -2.498 262 2HB LEU 17 2HB LEU 17 -0.985 -6.711 -1.048 263 HG LEU 17 HG LEU 17 -2.633 -8.465 -0.265 264 1HD1 LEU 17 1HD1 LEU 17 -1.925 -9.525 -2.910 265 2HD1 LEU 17 2HD1 LEU 17 -1.791 -10.721 -1.620 266 3HD1 LEU 17 3HD1 LEU 17 -3.320 -9.884 -1.891 267 1HD2 LEU 17 1HD2 LEU 17 0.261 -9.202 -0.771 268 2HD2 LEU 17 2HD2 LEU 17 -0.426 -8.485 0.686 269 3HD2 LEU 17 3HD2 LEU 17 -0.806 -10.154 0.260 270 H VAL 18 H VAL 18 -3.347 -4.874 -0.807 271 HA VAL 18 HA VAL 18 -4.746 -6.081 1.264 272 HB VAL 18 HB VAL 18 -5.251 -3.435 -0.119 273 1HG1 VAL 18 1HG1 VAL 18 -6.875 -4.861 1.861 274 2HG1 VAL 18 2HG1 VAL 18 -6.350 -3.275 2.426 275 3HG1 VAL 18 3HG1 VAL 18 -7.263 -3.418 0.924 276 1HG2 VAL 18 1HG2 VAL 18 -3.964 -4.251 2.504 277 2HG2 VAL 18 2HG2 VAL 18 -3.130 -3.636 1.079 278 3HG2 VAL 18 3HG2 VAL 18 -4.213 -2.582 1.988 279 H CYS 19 H CYS 19 -6.584 -4.471 -1.336 280 HA CYS 19 HA CYS 19 -8.474 -6.785 -1.243 281 1HB CYS 19 1HB CYS 19 -8.984 -4.069 -0.727 282 2HB CYS 19 2HB CYS 19 -9.626 -4.360 -2.344 283 H GLY 20 H GLY 20 -7.149 -4.214 -3.331 284 1HA GLY 20 1HA GLY 20 -6.459 -4.371 -5.581 285 2HA GLY 20 2HA GLY 20 -6.804 -6.099 -5.520 286 H GLU 21 H GLU 21 -9.117 -6.731 -5.684 287 HA GLU 21 HA GLU 21 -10.404 -5.504 -7.896 288 1HB GLU 21 1HB GLU 21 -10.999 -7.650 -5.990 289 2HB GLU 21 2HB GLU 21 -12.443 -6.803 -6.547 290 1HG GLU 21 1HG GLU 21 -12.238 -8.339 -8.257 291 2HG GLU 21 2HG GLU 21 -11.222 -7.053 -8.909 292 H ARG 22 H ARG 22 -11.874 -5.665 -4.643 293 HA ARG 22 HA ARG 22 -13.670 -3.527 -5.056 294 1HB ARG 22 1HB ARG 22 -12.445 -4.740 -2.587 295 2HB ARG 22 2HB ARG 22 -13.520 -3.348 -2.460 296 1HG ARG 22 1HG ARG 22 -15.360 -4.580 -2.940 297 2HG ARG 22 2HG ARG 22 -14.537 -5.469 -4.223 298 1HD ARG 22 1HD ARG 22 -13.815 -6.012 -1.359 299 2HD ARG 22 2HD ARG 22 -15.276 -6.731 -2.036 300 HE ARG 22 HE ARG 22 -13.312 -7.311 -3.908 301 1HH1 ARG 22 1HH1 ARG 22 -13.716 -7.725 -0.502 302 2HH1 ARG 22 2HH1 ARG 22 -12.786 -9.184 -0.440 303 1HH2 ARG 22 1HH2 ARG 22 -12.101 -9.214 -3.838 304 2HH2 ARG 22 2HH2 ARG 22 -11.872 -10.027 -2.325 305 H GLY 23 H GLY 23 -10.259 -3.474 -4.350 306 1HA GLY 23 1HA GLY 23 -8.847 -1.555 -4.588 307 2HA GLY 23 2HA GLY 23 -10.285 -0.536 -4.620 308 H PHE 24 H PHE 24 -8.981 0.764 -3.051 309 HA PHE 24 HA PHE 24 -9.588 -0.156 -0.288 310 1HB PHE 24 1HB PHE 24 -7.231 1.108 0.165 311 2HB PHE 24 2HB PHE 24 -7.365 -0.636 -0.053 312 HD1 PHE 24 HD1 PHE 24 -7.444 2.306 -2.394 313 HD2 PHE 24 HD2 PHE 24 -5.643 -1.461 -1.383 314 HE1 PHE 24 HE1 PHE 24 -6.017 2.448 -4.408 315 HE2 PHE 24 HE2 PHE 24 -4.216 -1.319 -3.399 316 HZ PHE 24 HZ PHE 24 -4.398 0.640 -4.915 317 H PHE 25 H PHE 25 -9.109 1.815 1.265 318 HA PHE 25 HA PHE 25 -10.445 4.143 0.012 319 1HB PHE 25 1HB PHE 25 -11.461 4.410 2.021 320 2HB PHE 25 2HB PHE 25 -10.787 2.845 2.453 321 HD1 PHE 25 HD1 PHE 25 -8.334 2.877 3.402 322 HD2 PHE 25 HD2 PHE 25 -10.942 6.285 3.304 323 HE1 PHE 25 HE1 PHE 25 -6.986 3.963 5.179 324 HE2 PHE 25 HE2 PHE 25 -9.597 7.370 5.080 325 HZ PHE 25 HZ PHE 25 -7.617 6.207 6.018 326 H TYR 26 H TYR 26 -7.567 3.441 -0.400 327 HA TYR 26 HA TYR 26 -5.605 4.769 0.884 328 1HB TYR 26 1HB TYR 26 -5.650 3.779 -1.559 329 2HB TYR 26 2HB TYR 26 -5.861 5.470 -2.020 330 HD1 TYR 26 HD1 TYR 26 -4.294 6.978 -0.152 331 HD2 TYR 26 HD2 TYR 26 -3.422 3.160 -1.903 332 HE1 TYR 26 HE1 TYR 26 -1.886 7.369 0.225 333 HE2 TYR 26 HE2 TYR 26 -1.004 3.549 -1.533 334 HH TYR 26 HH TYR 26 0.546 5.201 -1.089 335 H GLU 27 H GLU 27 -5.581 6.660 1.917 336 HA GLU 27 HA GLU 27 -5.879 9.181 0.638 337 1HB GLU 27 1HB GLU 27 -8.339 8.114 0.958 338 2HB GLU 27 2HB GLU 27 -8.148 8.874 2.538 339 1HG GLU 27 1HG GLU 27 -7.742 11.030 1.538 340 2HG GLU 27 2HG GLU 27 -7.651 10.323 -0.075 341 HA PRO 28 HA PRO 28 -3.619 8.744 4.689 342 1HB PRO 28 1HB PRO 28 -1.739 10.618 3.571 343 2HB PRO 28 2HB PRO 28 -1.480 8.913 3.974 344 1HG PRO 28 1HG PRO 28 -1.785 10.100 1.353 345 2HG PRO 28 2HG PRO 28 -1.446 8.412 1.757 346 1HD PRO 28 1HD PRO 28 -3.879 9.463 0.723 347 2HD PRO 28 2HD PRO 28 -3.584 7.815 1.305 348 H LYS 29 H LYS 29 -3.941 10.194 6.363 349 HA LYS 29 HA LYS 29 -5.134 12.821 5.644 350 1HB LYS 29 1HB LYS 29 -5.598 12.827 8.201 351 2HB LYS 29 2HB LYS 29 -6.522 11.711 7.195 352 1HG LYS 29 1HG LYS 29 -3.924 10.706 8.234 353 2HG LYS 29 2HG LYS 29 -5.214 10.918 9.419 354 1HD LYS 29 1HD LYS 29 -6.306 9.699 7.057 355 2HD LYS 29 2HD LYS 29 -4.891 8.782 7.576 356 1HE LYS 29 1HE LYS 29 -5.834 8.206 9.609 357 2HE LYS 29 2HE LYS 29 -6.846 9.650 9.667 358 1HZ LYS 29 1HZ LYS 29 -7.774 8.386 7.482 359 2HZ LYS 29 2HZ LYS 29 -7.377 7.073 8.482 360 3HZ LYS 29 3HZ LYS 29 -8.459 8.262 9.032 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -2.212 7.312 8.655 2 2H GLY 1 2H GLY 1 -0.914 6.844 9.648 3 3H GLY 1 3H GLY 1 -1.427 8.461 9.631 4 1HA GLY 1 1HA GLY 1 -0.695 8.752 7.384 5 2HA GLY 1 2HA GLY 1 0.631 8.109 8.353 6 H ILE 2 H ILE 2 -1.821 7.273 5.958 7 HA ILE 2 HA ILE 2 -0.869 4.524 5.689 8 HB ILE 2 HB ILE 2 -3.240 5.359 5.180 9 1HG1 ILE 2 1HG1 ILE 2 -3.277 3.915 2.994 10 2HG1 ILE 2 2HG1 ILE 2 -1.570 3.644 3.348 11 1HG2 ILE 2 1HG2 ILE 2 -2.380 7.318 3.820 12 2HG2 ILE 2 2HG2 ILE 2 -1.940 6.160 2.567 13 3HG2 ILE 2 3HG2 ILE 2 -3.630 6.361 3.024 14 1HD1 ILE 2 1HD1 ILE 2 -3.576 3.272 5.544 15 2HD1 ILE 2 2HD1 ILE 2 -3.403 2.009 4.325 16 3HD1 ILE 2 3HD1 ILE 2 -2.017 2.481 5.308 17 H GLY 3 H GLY 3 0.188 7.560 4.572 18 1HA GLY 3 1HA GLY 3 1.105 7.226 1.990 19 2HA GLY 3 2HA GLY 3 2.068 8.045 3.221 20 H GLU 4 H GLU 4 3.729 6.871 4.286 21 HA GLU 4 HA GLU 4 4.206 4.104 3.283 22 1HB GLU 4 1HB GLU 4 6.370 6.206 3.551 23 2HB GLU 4 2HB GLU 4 6.538 4.576 2.899 24 1HG GLU 4 1HG GLU 4 5.932 5.299 0.859 25 2HG GLU 4 2HG GLU 4 4.412 5.913 1.512 26 H GLN 5 H GLN 5 3.172 5.152 5.854 27 HA GLN 5 HA GLN 5 4.978 5.310 7.952 28 1HB GLN 5 1HB GLN 5 2.429 5.266 8.098 29 2HB GLN 5 2HB GLN 5 2.547 3.506 8.053 30 1HG GLN 5 1HG GLN 5 4.435 4.499 9.969 31 2HG GLN 5 2HG GLN 5 2.858 5.212 10.308 32 1HE2 GLN 5 2HE2 GLN 5 3.554 1.979 8.902 33 2HE2 GLN 5 1HE2 GLN 5 2.803 1.107 10.150 34 H CYS 6 H CYS 6 4.275 2.564 5.920 35 HA CYS 6 HA CYS 6 5.781 0.712 7.657 36 1HB CYS 6 1HB CYS 6 3.756 -0.067 6.448 37 2HB CYS 6 2HB CYS 6 4.561 0.271 4.913 38 H CYS 7 H CYS 7 7.680 2.382 7.240 39 HA CYS 7 HA CYS 7 9.078 1.653 4.704 40 1HB CYS 7 1HB CYS 7 8.667 4.118 5.388 41 2HB CYS 7 2HB CYS 7 9.929 3.847 6.590 42 H THR 8 H THR 8 11.433 1.233 4.894 43 HA THR 8 HA THR 8 13.258 0.123 5.859 44 HB THR 8 HB THR 8 12.584 0.415 8.657 45 HG1 THR 8 HG1 THR 8 12.335 2.685 6.979 46 1HG2 THR 8 1HG2 THR 8 14.647 1.627 6.803 47 2HG2 THR 8 2HG2 THR 8 14.643 1.875 8.549 48 3HG2 THR 8 3HG2 THR 8 14.861 0.254 7.889 49 H SER 9 H SER 9 10.840 -1.348 5.258 50 HA SER 9 HA SER 9 11.383 -3.860 6.325 51 1HB SER 9 1HB SER 9 9.182 -3.721 7.948 52 2HB SER 9 2HB SER 9 10.844 -3.592 8.518 53 HG SER 9 HG SER 9 8.952 -1.786 8.684 54 H ILE 10 H ILE 10 9.397 -5.372 6.150 55 HA ILE 10 HA ILE 10 7.600 -4.325 3.997 56 HB ILE 10 HB ILE 10 8.255 -7.242 4.408 57 1HG1 ILE 10 1HG1 ILE 10 9.801 -5.194 2.785 58 2HG1 ILE 10 2HG1 ILE 10 10.409 -6.110 4.165 59 1HG2 ILE 10 1HG2 ILE 10 6.687 -5.654 2.576 60 2HG2 ILE 10 2HG2 ILE 10 7.958 -6.503 1.695 61 3HG2 ILE 10 3HG2 ILE 10 6.816 -7.410 2.685 62 1HD1 ILE 10 1HD1 ILE 10 9.249 -7.793 2.050 63 2HD1 ILE 10 2HD1 ILE 10 10.669 -6.881 1.535 64 3HD1 ILE 10 3HD1 ILE 10 10.774 -7.969 2.919 65 H CYS 11 H CYS 11 5.585 -4.014 4.810 66 HA CYS 11 HA CYS 11 4.694 -5.460 7.201 67 1HB CYS 11 1HB CYS 11 3.333 -3.421 5.416 68 2HB CYS 11 2HB CYS 11 2.610 -4.092 6.882 69 H SER 12 H SER 12 2.800 -6.815 7.258 70 HA SER 12 HA SER 12 2.495 -8.439 4.822 71 1HB SER 12 1HB SER 12 1.699 -10.079 6.214 72 2HB SER 12 2HB SER 12 2.509 -9.113 7.444 73 HG SER 12 HG SER 12 0.627 -8.452 8.168 74 H LEU 13 H LEU 13 0.881 -8.101 3.371 75 HA LEU 13 HA LEU 13 -0.913 -5.961 3.432 76 1HB LEU 13 1HB LEU 13 -0.712 -8.492 1.920 77 2HB LEU 13 2HB LEU 13 -2.327 -7.790 1.987 78 HG LEU 13 HG LEU 13 -0.874 -6.992 0.057 79 1HD1 LEU 13 1HD1 LEU 13 -2.512 -5.483 1.924 80 2HD1 LEU 13 2HD1 LEU 13 -1.313 -4.444 1.153 81 3HD1 LEU 13 3HD1 LEU 13 -2.442 -5.371 0.165 82 1HD2 LEU 13 1HD2 LEU 13 1.201 -6.864 1.513 83 2HD2 LEU 13 2HD2 LEU 13 0.899 -5.431 0.529 84 3HD2 LEU 13 3HD2 LEU 13 0.506 -5.421 2.248 85 H TYR 14 H TYR 14 -1.267 -9.163 4.848 86 HA TYR 14 HA TYR 14 -3.948 -9.404 5.393 87 1HB TYR 14 1HB TYR 14 -1.513 -9.999 7.011 88 2HB TYR 14 2HB TYR 14 -3.086 -10.121 7.799 89 HD1 TYR 14 HD1 TYR 14 -0.962 -11.433 5.073 90 HD2 TYR 14 HD2 TYR 14 -4.694 -11.815 7.163 91 HE1 TYR 14 HE1 TYR 14 -1.347 -13.620 3.984 92 HE2 TYR 14 HE2 TYR 14 -5.079 -14.003 6.075 93 HH TYR 14 HH TYR 14 -2.625 -15.660 4.355 94 H GLN 15 H GLN 15 -1.706 -7.439 7.391 95 HA GLN 15 HA GLN 15 -3.797 -6.337 9.021 96 1HB GLN 15 1HB GLN 15 -0.902 -5.885 8.562 97 2HB GLN 15 2HB GLN 15 -1.804 -4.520 9.207 98 1HG GLN 15 1HG GLN 15 -2.754 -6.689 10.668 99 2HG GLN 15 2HG GLN 15 -1.026 -7.004 10.515 100 1HE2 GLN 15 2HE2 GLN 15 -0.894 -6.510 12.897 101 2HE2 GLN 15 1HE2 GLN 15 -0.856 -4.891 13.403 102 H LEU 16 H LEU 16 -2.120 -5.192 6.098 103 HA LEU 16 HA LEU 16 -3.322 -2.605 6.005 104 1HB LEU 16 1HB LEU 16 -1.868 -4.375 4.126 105 2HB LEU 16 2HB LEU 16 -2.939 -3.196 3.369 106 HG LEU 16 HG LEU 16 -1.807 -1.363 4.354 107 1HD1 LEU 16 1HD1 LEU 16 -0.868 -3.444 6.283 108 2HD1 LEU 16 2HD1 LEU 16 0.201 -2.074 5.981 109 3HD1 LEU 16 3HD1 LEU 16 -1.432 -1.801 6.591 110 1HD2 LEU 16 1HD2 LEU 16 -0.138 -3.524 3.198 111 2HD2 LEU 16 2HD2 LEU 16 -0.315 -1.845 2.690 112 3HD2 LEU 16 3HD2 LEU 16 0.748 -2.251 4.037 113 H GLU 17 H GLU 17 -4.687 -5.705 5.531 114 HA GLU 17 HA GLU 17 -6.677 -5.125 3.565 115 1HB GLU 17 1HB GLU 17 -6.448 -7.136 5.779 116 2HB GLU 17 2HB GLU 17 -7.958 -6.980 4.883 117 1HG GLU 17 1HG GLU 17 -6.380 -7.083 2.777 118 2HG GLU 17 2HG GLU 17 -5.262 -7.854 3.903 119 H ASN 18 H ASN 18 -6.516 -4.456 7.010 120 HA ASN 18 HA ASN 18 -9.237 -3.941 7.552 121 1HB ASN 18 1HB ASN 18 -7.198 -3.889 9.138 122 2HB ASN 18 2HB ASN 18 -7.022 -2.208 8.629 123 1HD2 ASN 18 2HD2 ASN 18 -7.563 -1.785 11.022 124 2HD2 ASN 18 1HD2 ASN 18 -9.202 -1.719 11.459 125 H TYR 19 H TYR 19 -7.018 -2.212 5.555 126 HA TYR 19 HA TYR 19 -8.503 0.310 5.644 127 1HB TYR 19 1HB TYR 19 -6.263 -0.686 3.868 128 2HB TYR 19 2HB TYR 19 -6.966 0.926 3.742 129 HD1 TYR 19 HD1 TYR 19 -6.980 2.404 5.846 130 HD2 TYR 19 HD2 TYR 19 -4.595 -1.147 5.474 131 HE1 TYR 19 HE1 TYR 19 -5.533 3.183 7.694 132 HE2 TYR 19 HE2 TYR 19 -3.147 -0.369 7.322 133 HH TYR 19 HH TYR 19 -3.737 1.473 9.470 134 H CYS 20 H CYS 20 -8.411 -2.547 3.567 135 HA CYS 20 HA CYS 20 -9.652 -1.586 1.264 136 1HB CYS 20 1HB CYS 20 -9.277 -3.805 0.951 137 2HB CYS 20 2HB CYS 20 -9.524 -4.194 2.646 138 H ASN 21 H ASN 21 -11.962 -1.745 0.628 139 HA ASN 21 HA ASN 21 -13.618 -0.244 2.455 140 1HB ASN 21 1HB ASN 21 -15.293 -0.345 0.726 141 2HB ASN 21 2HB ASN 21 -13.730 -0.173 -0.076 142 1HD2 ASN 21 2HD2 ASN 21 -13.350 -1.644 -1.710 143 2HD2 ASN 21 1HD2 ASN 21 -14.099 -3.161 -1.860 144 1H GLU 1 1H GLU 1 18.709 -3.501 3.034 145 2H GLU 1 2H GLU 1 19.514 -3.023 4.452 146 3H GLU 1 3H GLU 1 17.917 -2.524 4.176 147 HA GLU 1 HA GLU 1 19.392 -0.696 3.732 148 1HB GLU 1 1HB GLU 1 20.983 -2.825 2.630 149 2HB GLU 1 2HB GLU 1 20.717 -1.599 1.391 150 1HG GLU 1 1HG GLU 1 21.646 0.124 2.744 151 2HG GLU 1 2HG GLU 1 21.580 -0.878 4.195 152 H VAL 2 H VAL 2 19.089 -2.575 0.721 153 HA VAL 2 HA VAL 2 16.743 -0.882 -0.006 154 HB VAL 2 HB VAL 2 17.789 -0.871 -2.374 155 1HG1 VAL 2 1HG1 VAL 2 18.620 0.731 0.017 156 2HG1 VAL 2 2HG1 VAL 2 19.450 1.016 -1.513 157 3HG1 VAL 2 3HG1 VAL 2 17.703 1.234 -1.402 158 1HG2 VAL 2 1HG2 VAL 2 19.594 -2.556 -1.415 159 2HG2 VAL 2 2HG2 VAL 2 20.057 -1.347 -2.612 160 3HG2 VAL 2 3HG2 VAL 2 20.398 -1.072 -0.903 161 H ASN 3 H ASN 3 15.125 -2.341 -0.279 162 HA ASN 3 HA ASN 3 15.636 -4.670 -2.044 163 1HB ASN 3 1HB ASN 3 14.397 -4.811 0.714 164 2HB ASN 3 2HB ASN 3 14.308 -6.116 -0.469 165 1HD2 ASN 3 2HD2 ASN 3 15.694 -6.272 2.123 166 2HD2 ASN 3 1HD2 ASN 3 17.336 -6.540 1.785 167 H GLN 4 H GLN 4 12.723 -4.588 -0.221 168 HA GLN 4 HA GLN 4 11.285 -3.024 -2.275 169 1HB GLN 4 1HB GLN 4 11.485 -5.709 -2.678 170 2HB GLN 4 2HB GLN 4 10.036 -5.645 -1.673 171 1HG GLN 4 1HG GLN 4 8.894 -4.247 -3.207 172 2HG GLN 4 2HG GLN 4 10.382 -3.820 -4.053 173 1HE2 GLN 4 2HE2 GLN 4 11.459 -5.643 -5.297 174 2HE2 GLN 4 1HE2 GLN 4 10.484 -6.876 -5.936 175 H HIS 5 H HIS 5 11.318 -1.834 -0.062 176 HA HIS 5 HA HIS 5 9.257 -2.900 1.796 177 1HB HIS 5 1HB HIS 5 10.681 -0.318 2.300 178 2HB HIS 5 2HB HIS 5 10.186 -1.565 3.443 179 HD1 HIS 5 HD1 HIS 5 13.033 -0.447 1.383 180 HD2 HIS 5 HD2 HIS 5 11.941 -3.916 3.419 181 HE1 HIS 5 HE1 HIS 5 15.129 -1.856 1.571 182 H LEU 6 H LEU 6 7.770 -1.097 2.711 183 HA LEU 6 HA LEU 6 6.438 0.171 0.414 184 1HB LEU 6 1HB LEU 6 5.635 0.331 3.329 185 2HB LEU 6 2HB LEU 6 4.605 0.529 1.909 186 HG LEU 6 HG LEU 6 5.970 -2.018 2.819 187 1HD1 LEU 6 1HD1 LEU 6 3.650 -0.980 3.732 188 2HD1 LEU 6 2HD1 LEU 6 3.049 -1.825 2.306 189 3HD1 LEU 6 3HD1 LEU 6 3.916 -2.715 3.557 190 1HD2 LEU 6 1HD2 LEU 6 5.073 -1.148 0.195 191 2HD2 LEU 6 2HD2 LEU 6 5.929 -2.623 0.645 192 3HD2 LEU 6 3HD2 LEU 6 4.168 -2.563 0.735 193 H CYS 7 H CYS 7 7.982 1.823 -0.118 194 HA CYS 7 HA CYS 7 7.703 4.230 1.552 195 1HB CYS 7 1HB CYS 7 9.938 2.613 1.895 196 2HB CYS 7 2HB CYS 7 10.492 3.859 0.778 197 H GLY 8 H GLY 8 8.695 6.152 0.377 198 1HA GLY 8 1HA GLY 8 9.035 7.404 -1.586 199 2HA GLY 8 2HA GLY 8 9.398 5.891 -2.418 200 H SER 9 H SER 9 6.398 6.474 -0.671 201 HA SER 9 HA SER 9 4.183 6.611 -1.432 202 1HB SER 9 1HB SER 9 5.765 8.064 -3.396 203 2HB SER 9 2HB SER 9 4.376 7.283 -4.143 204 HG SER 9 HG SER 9 3.186 8.746 -3.239 205 H GLU 10 H GLU 10 5.487 4.111 -1.491 206 HA GLU 10 HA GLU 10 4.434 2.905 -4.008 207 1HB GLU 10 1HB GLU 10 6.341 1.712 -4.139 208 2HB GLU 10 2HB GLU 10 6.968 2.700 -2.823 209 1HG GLU 10 1HG GLU 10 6.085 1.117 -1.183 210 2HG GLU 10 2HG GLU 10 5.394 0.143 -2.480 211 H LEU 11 H LEU 11 3.682 3.339 -0.796 212 HA LEU 11 HA LEU 11 2.750 0.717 -0.074 213 1HB LEU 11 1HB LEU 11 3.119 2.580 1.556 214 2HB LEU 11 2HB LEU 11 1.701 3.392 0.893 215 HG LEU 11 HG LEU 11 0.288 1.487 1.508 216 1HD1 LEU 11 1HD1 LEU 11 2.871 0.310 2.582 217 2HD1 LEU 11 2HD1 LEU 11 1.265 -0.359 2.868 218 3HD1 LEU 11 3HD1 LEU 11 1.921 -0.313 1.232 219 1HD2 LEU 11 1HD2 LEU 11 1.778 3.127 3.380 220 2HD2 LEU 11 2HD2 LEU 11 0.087 2.628 3.444 221 3HD2 LEU 11 3HD2 LEU 11 1.341 1.585 4.117 222 H VAL 12 H VAL 12 1.595 2.967 -2.354 223 HA VAL 12 HA VAL 12 -1.227 2.401 -2.120 224 HB VAL 12 HB VAL 12 0.434 4.091 -3.692 225 1HG1 VAL 12 1HG1 VAL 12 0.334 2.344 -5.461 226 2HG1 VAL 12 2HG1 VAL 12 -1.427 2.429 -5.416 227 3HG1 VAL 12 3HG1 VAL 12 -0.490 3.828 -5.940 228 1HG2 VAL 12 1HG2 VAL 12 -2.473 3.713 -3.136 229 2HG2 VAL 12 2HG2 VAL 12 -1.437 5.102 -2.806 230 3HG2 VAL 12 3HG2 VAL 12 -2.023 4.806 -4.443 231 H GLU 13 H GLU 13 1.455 0.960 -3.918 232 HA GLU 13 HA GLU 13 -0.165 -0.867 -5.459 233 1HB GLU 13 1HB GLU 13 2.356 -0.156 -5.734 234 2HB GLU 13 2HB GLU 13 2.652 -1.496 -4.626 235 1HG GLU 13 1HG GLU 13 2.146 -3.061 -6.193 236 2HG GLU 13 2HG GLU 13 0.782 -2.131 -6.813 237 H ALA 14 H ALA 14 1.604 -1.149 -2.386 238 HA ALA 14 HA ALA 14 1.051 -3.890 -1.885 239 1HB ALA 14 1HB ALA 14 2.038 -1.607 -0.388 240 2HB ALA 14 2HB ALA 14 0.960 -2.588 0.605 241 3HB ALA 14 3HB ALA 14 2.376 -3.321 -0.148 242 H LEU 15 H LEU 15 -0.778 -0.956 -1.061 243 HA LEU 15 HA LEU 15 -2.903 -2.259 0.320 244 1HB LEU 15 1HB LEU 15 -2.622 0.375 -1.104 245 2HB LEU 15 2HB LEU 15 -4.188 -0.139 -0.481 246 HG LEU 15 HG LEU 15 -1.933 -0.464 1.393 247 1HD1 LEU 15 1HD1 LEU 15 -1.649 1.792 0.087 248 2HD1 LEU 15 2HD1 LEU 15 -3.051 2.307 1.025 249 3HD1 LEU 15 3HD1 LEU 15 -1.574 1.809 1.849 250 1HD2 LEU 15 1HD2 LEU 15 -4.803 -0.201 1.367 251 2HD2 LEU 15 2HD2 LEU 15 -3.753 -0.643 2.717 252 3HD2 LEU 15 3HD2 LEU 15 -4.117 1.055 2.404 253 H GLU 16 H GLU 16 -2.168 -2.044 -3.073 254 HA GLU 16 HA GLU 16 -4.777 -2.353 -4.167 255 1HB GLU 16 1HB GLU 16 -2.068 -3.311 -5.113 256 2HB GLU 16 2HB GLU 16 -3.539 -3.538 -6.059 257 1HG GLU 16 1HG GLU 16 -3.222 -0.800 -5.047 258 2HG GLU 16 2HG GLU 16 -1.934 -1.294 -6.147 259 H LEU 17 H LEU 17 -2.704 -4.579 -2.480 260 HA LEU 17 HA LEU 17 -4.181 -6.973 -3.306 261 1HB LEU 17 1HB LEU 17 -1.679 -6.653 -2.431 262 2HB LEU 17 2HB LEU 17 -2.457 -6.940 -0.877 263 HG LEU 17 HG LEU 17 -2.369 -8.762 -3.283 264 1HD1 LEU 17 1HD1 LEU 17 -1.455 -8.863 -0.409 265 2HD1 LEU 17 2HD1 LEU 17 -1.717 -10.349 -1.324 266 3HD1 LEU 17 3HD1 LEU 17 -0.525 -9.173 -1.877 267 1HD2 LEU 17 1HD2 LEU 17 -4.158 -8.935 -0.837 268 2HD2 LEU 17 2HD2 LEU 17 -4.689 -8.726 -2.506 269 3HD2 LEU 17 3HD2 LEU 17 -3.929 -10.237 -2.005 270 H VAL 18 H VAL 18 -4.289 -4.595 -0.781 271 HA VAL 18 HA VAL 18 -5.587 -5.881 1.316 272 HB VAL 18 HB VAL 18 -5.943 -3.108 0.165 273 1HG1 VAL 18 1HG1 VAL 18 -7.651 -4.482 2.029 274 2HG1 VAL 18 2HG1 VAL 18 -6.796 -3.188 2.866 275 3HG1 VAL 18 3HG1 VAL 18 -7.768 -2.824 1.442 276 1HG2 VAL 18 1HG2 VAL 18 -3.764 -3.669 1.175 277 2HG2 VAL 18 2HG2 VAL 18 -4.629 -2.490 2.163 278 3HG2 VAL 18 3HG2 VAL 18 -4.580 -4.185 2.650 279 H CYS 19 H CYS 19 -7.569 -3.814 -0.748 280 HA CYS 19 HA CYS 19 -9.812 -5.694 -0.437 281 1HB CYS 19 1HB CYS 19 -9.644 -2.945 -0.654 282 2HB CYS 19 2HB CYS 19 -10.180 -3.420 -2.264 283 H GLY 20 H GLY 20 -8.203 -4.119 -3.221 284 1HA GLY 20 1HA GLY 20 -7.922 -4.861 -5.422 285 2HA GLY 20 2HA GLY 20 -7.798 -6.474 -4.724 286 H GLU 21 H GLU 21 -10.727 -4.821 -4.064 287 HA GLU 21 HA GLU 21 -12.072 -6.317 -6.278 288 1HB GLU 21 1HB GLU 21 -12.333 -6.783 -3.512 289 2HB GLU 21 2HB GLU 21 -13.788 -5.897 -3.974 290 1HG GLU 21 1HG GLU 21 -13.827 -7.568 -6.001 291 2HG GLU 21 2HG GLU 21 -12.800 -8.556 -4.963 292 H ARG 22 H ARG 22 -13.006 -3.962 -3.773 293 HA ARG 22 HA ARG 22 -14.292 -2.332 -5.914 294 1HB ARG 22 1HB ARG 22 -15.177 -3.107 -3.367 295 2HB ARG 22 2HB ARG 22 -14.749 -1.405 -3.194 296 1HG ARG 22 1HG ARG 22 -16.374 -0.705 -4.666 297 2HG ARG 22 2HG ARG 22 -16.293 -2.186 -5.623 298 1HD ARG 22 1HD ARG 22 -17.281 -2.361 -2.803 299 2HD ARG 22 2HD ARG 22 -18.367 -1.721 -4.038 300 HE ARG 22 HE ARG 22 -17.395 -4.050 -5.169 301 1HH1 ARG 22 1HH1 ARG 22 -18.883 -3.171 -2.178 302 2HH1 ARG 22 2HH1 ARG 22 -19.660 -4.704 -1.966 303 1HH2 ARG 22 1HH2 ARG 22 -18.405 -6.052 -4.902 304 2HH2 ARG 22 2HH2 ARG 22 -19.391 -6.332 -3.505 305 H GLY 23 H GLY 23 -11.783 -2.345 -3.495 306 1HA GLY 23 1HA GLY 23 -9.862 -0.794 -4.117 307 2HA GLY 23 2HA GLY 23 -11.088 0.469 -4.228 308 H PHE 24 H PHE 24 -9.031 0.897 -2.492 309 HA PHE 24 HA PHE 24 -10.147 0.227 0.199 310 1HB PHE 24 1HB PHE 24 -7.763 1.196 0.857 311 2HB PHE 24 2HB PHE 24 -7.928 -0.471 0.309 312 HD1 PHE 24 HD1 PHE 24 -7.860 2.853 -1.448 313 HD2 PHE 24 HD2 PHE 24 -6.168 -1.076 -1.080 314 HE1 PHE 24 HE1 PHE 24 -6.358 3.323 -3.357 315 HE2 PHE 24 HE2 PHE 24 -4.668 -0.609 -2.992 316 HZ PHE 24 HZ PHE 24 -4.758 1.592 -4.134 317 H PHE 25 H PHE 25 -9.171 2.194 1.753 318 HA PHE 25 HA PHE 25 -10.432 4.646 0.608 319 1HB PHE 25 1HB PHE 25 -10.143 3.582 3.409 320 2HB PHE 25 2HB PHE 25 -10.430 5.300 3.127 321 HD1 PHE 25 HD1 PHE 25 -11.689 2.211 1.414 322 HD2 PHE 25 HD2 PHE 25 -12.654 5.796 3.567 323 HE1 PHE 25 HE1 PHE 25 -14.106 1.764 1.070 324 HE2 PHE 25 HE2 PHE 25 -15.073 5.352 3.226 325 HZ PHE 25 HZ PHE 25 -15.797 3.335 1.976 326 H TYR 26 H TYR 26 -8.104 4.646 -0.451 327 HA TYR 26 HA TYR 26 -5.952 5.540 1.310 328 1HB TYR 26 1HB TYR 26 -5.828 4.292 -1.021 329 2HB TYR 26 2HB TYR 26 -5.877 5.936 -1.660 330 HD1 TYR 26 HD1 TYR 26 -4.406 7.514 0.261 331 HD2 TYR 26 HD2 TYR 26 -3.628 3.530 -1.130 332 HE1 TYR 26 HE1 TYR 26 -2.020 7.794 0.819 333 HE2 TYR 26 HE2 TYR 26 -1.229 3.804 -0.574 334 HH TYR 26 HH TYR 26 0.339 6.196 -0.341 335 H GLU 27 H GLU 27 -7.301 7.368 2.210 336 HA GLU 27 HA GLU 27 -7.709 9.642 0.388 337 1HB GLU 27 1HB GLU 27 -9.362 9.107 2.179 338 2HB GLU 27 2HB GLU 27 -8.140 9.506 3.383 339 1HG GLU 27 1HG GLU 27 -8.197 11.766 2.904 340 2HG GLU 27 2HG GLU 27 -8.689 11.504 1.230 341 HA PRO 28 HA PRO 28 -4.313 11.331 3.452 342 1HB PRO 28 1HB PRO 28 -2.689 9.097 4.240 343 2HB PRO 28 2HB PRO 28 -3.626 10.183 5.275 344 1HG PRO 28 1HG PRO 28 -4.201 7.451 4.689 345 2HG PRO 28 2HG PRO 28 -5.200 8.582 5.610 346 1HD PRO 28 1HD PRO 28 -5.619 7.566 2.920 347 2HD PRO 28 2HD PRO 28 -6.712 8.536 3.921 348 H LYS 29 H LYS 29 -1.935 11.588 3.026 349 HA LYS 29 HA LYS 29 -1.266 11.527 0.328 350 1HB LYS 29 1HB LYS 29 0.985 11.976 0.975 351 2HB LYS 29 2HB LYS 29 -0.015 12.664 2.254 352 1HG LYS 29 1HG LYS 29 1.332 9.946 2.334 353 2HG LYS 29 2HG LYS 29 1.858 11.383 3.213 354 1HD LYS 29 1HD LYS 29 -0.523 11.407 4.217 355 2HD LYS 29 2HD LYS 29 -0.648 9.750 3.622 356 1HE LYS 29 1HE LYS 29 0.146 9.571 5.867 357 2HE LYS 29 2HE LYS 29 1.554 9.298 4.839 358 1HZ LYS 29 1HZ LYS 29 1.139 12.068 5.425 359 2HZ LYS 29 2HZ LYS 29 1.360 11.146 6.831 360 3HZ LYS 29 3HZ LYS 29 2.537 11.120 5.607 Start of MODEL 18 1 1H GLY 1 1H GLY 1 1.414 3.725 10.313 2 2H GLY 1 2H GLY 1 1.971 5.321 10.180 3 3H GLY 1 3H GLY 1 0.929 4.889 11.450 4 1HA GLY 1 1HA GLY 1 -0.903 4.620 10.025 5 2HA GLY 1 2HA GLY 1 -0.131 6.136 9.558 6 H ILE 2 H ILE 2 -1.606 5.100 7.599 7 HA ILE 2 HA ILE 2 -0.057 3.227 5.971 8 HB ILE 2 HB ILE 2 -2.464 3.075 5.899 9 1HG1 ILE 2 1HG1 ILE 2 -2.829 3.601 3.372 10 2HG1 ILE 2 2HG1 ILE 2 -1.122 4.038 3.380 11 1HG2 ILE 2 1HG2 ILE 2 -2.317 5.926 5.901 12 2HG2 ILE 2 2HG2 ILE 2 -3.235 5.415 4.484 13 3HG2 ILE 2 3HG2 ILE 2 -3.736 4.898 6.095 14 1HD1 ILE 2 1HD1 ILE 2 -1.749 1.494 4.738 15 2HD1 ILE 2 2HD1 ILE 2 -2.034 1.499 2.997 16 3HD1 ILE 2 3HD1 ILE 2 -0.434 1.886 3.629 17 H GLY 3 H GLY 3 -1.352 5.752 4.001 18 1HA GLY 3 1HA GLY 3 -0.191 7.170 2.528 19 2HA GLY 3 2HA GLY 3 0.598 7.727 4.007 20 H GLU 4 H GLU 4 2.785 7.520 3.976 21 HA GLU 4 HA GLU 4 3.948 5.171 2.550 22 1HB GLU 4 1HB GLU 4 5.032 7.999 2.388 23 2HB GLU 4 2HB GLU 4 5.693 6.575 1.585 24 1HG GLU 4 1HG GLU 4 4.175 6.683 -0.086 25 2HG GLU 4 2HG GLU 4 2.843 6.958 1.037 26 H GLN 5 H GLN 5 3.532 6.486 5.436 27 HA GLN 5 HA GLN 5 6.007 6.962 6.641 28 1HB GLN 5 1HB GLN 5 3.376 5.993 7.529 29 2HB GLN 5 2HB GLN 5 4.710 5.438 8.542 30 1HG GLN 5 1HG GLN 5 5.197 7.544 9.290 31 2HG GLN 5 2HG GLN 5 4.800 8.294 7.743 32 1HE2 GLN 5 2HE2 GLN 5 2.882 9.472 7.743 33 2HE2 GLN 5 1HE2 GLN 5 1.596 9.241 8.827 34 H CYS 6 H CYS 6 4.581 3.886 5.664 35 HA CYS 6 HA CYS 6 6.519 2.207 6.979 36 1HB CYS 6 1HB CYS 6 4.759 1.697 4.552 37 2HB CYS 6 2HB CYS 6 5.673 0.454 5.411 38 H CYS 7 H CYS 7 8.655 2.833 6.506 39 HA CYS 7 HA CYS 7 9.476 2.429 3.664 40 1HB CYS 7 1HB CYS 7 10.364 4.694 5.474 41 2HB CYS 7 2HB CYS 7 11.067 4.333 3.898 42 H THR 8 H THR 8 10.499 2.643 7.065 43 HA THR 8 HA THR 8 13.128 1.811 6.965 44 HB THR 8 HB THR 8 12.337 0.278 9.023 45 HG1 THR 8 HG1 THR 8 10.255 0.407 9.178 46 1HG2 THR 8 1HG2 THR 8 12.482 3.285 8.814 47 2HG2 THR 8 2HG2 THR 8 12.265 2.471 10.365 48 3HG2 THR 8 3HG2 THR 8 13.713 2.170 9.405 49 H SER 9 H SER 9 10.272 -0.123 6.286 50 HA SER 9 HA SER 9 11.869 -2.087 4.863 51 1HB SER 9 1HB SER 9 11.080 -4.010 6.325 52 2HB SER 9 2HB SER 9 12.303 -2.974 7.054 53 HG SER 9 HG SER 9 10.109 -3.574 8.156 54 H ILE 10 H ILE 10 9.229 -3.720 6.089 55 HA ILE 10 HA ILE 10 7.400 -2.575 4.031 56 HB ILE 10 HB ILE 10 8.476 -4.664 3.189 57 1HG1 ILE 10 1HG1 ILE 10 5.570 -5.171 3.851 58 2HG1 ILE 10 2HG1 ILE 10 6.066 -3.945 2.683 59 1HG2 ILE 10 1HG2 ILE 10 7.142 -5.826 5.647 60 2HG2 ILE 10 2HG2 ILE 10 7.762 -6.801 4.315 61 3HG2 ILE 10 3HG2 ILE 10 8.867 -5.819 5.278 62 1HD1 ILE 10 1HD1 ILE 10 7.276 -5.668 1.389 63 2HD1 ILE 10 2HD1 ILE 10 6.761 -6.894 2.548 64 3HD1 ILE 10 3HD1 ILE 10 5.567 -6.071 1.544 65 H CYS 11 H CYS 11 5.218 -2.554 4.642 66 HA CYS 11 HA CYS 11 4.739 -3.113 7.517 67 1HB CYS 11 1HB CYS 11 3.512 -1.344 5.457 68 2HB CYS 11 2HB CYS 11 2.451 -1.953 6.728 69 H SER 12 H SER 12 3.716 -4.952 8.092 70 HA SER 12 HA SER 12 2.929 -7.029 6.459 71 1HB SER 12 1HB SER 12 2.007 -6.111 9.151 72 2HB SER 12 2HB SER 12 1.093 -7.391 8.357 73 HG SER 12 HG SER 12 2.650 -8.690 8.869 74 H LEU 13 H LEU 13 1.611 -6.942 4.714 75 HA LEU 13 HA LEU 13 -0.289 -4.963 4.113 76 1HB LEU 13 1HB LEU 13 0.143 -7.787 3.232 77 2HB LEU 13 2HB LEU 13 -1.376 -7.009 2.792 78 HG LEU 13 HG LEU 13 0.484 -6.728 1.095 79 1HD1 LEU 13 1HD1 LEU 13 -0.683 -4.266 2.426 80 2HD1 LEU 13 2HD1 LEU 13 0.090 -4.262 0.842 81 3HD1 LEU 13 3HD1 LEU 13 -1.392 -5.184 1.097 82 1HD2 LEU 13 1HD2 LEU 13 2.265 -6.463 2.865 83 2HD2 LEU 13 2HD2 LEU 13 2.301 -5.216 1.620 84 3HD2 LEU 13 3HD2 LEU 13 1.609 -4.861 3.204 85 H TYR 14 H TYR 14 -0.704 -7.988 5.908 86 HA TYR 14 HA TYR 14 -3.419 -8.261 6.177 87 1HB TYR 14 1HB TYR 14 -2.021 -9.749 7.411 88 2HB TYR 14 2HB TYR 14 -1.280 -8.424 8.310 89 HD1 TYR 14 HD1 TYR 14 -4.697 -9.835 7.621 90 HD2 TYR 14 HD2 TYR 14 -2.042 -8.023 10.469 91 HE1 TYR 14 HE1 TYR 14 -6.432 -10.045 9.372 92 HE2 TYR 14 HE2 TYR 14 -3.777 -8.232 12.221 93 HH TYR 14 HH TYR 14 -5.812 -8.958 12.715 94 H GLN 15 H GLN 15 -1.448 -5.846 7.933 95 HA GLN 15 HA GLN 15 -3.667 -4.723 9.368 96 1HB GLN 15 1HB GLN 15 -0.827 -4.070 8.867 97 2HB GLN 15 2HB GLN 15 -1.865 -2.691 9.207 98 1HG GLN 15 1HG GLN 15 -2.680 -3.804 11.255 99 2HG GLN 15 2HG GLN 15 -1.632 -5.181 10.912 100 1HE2 GLN 15 2HE2 GLN 15 -0.871 -4.323 13.233 101 2HE2 GLN 15 1HE2 GLN 15 0.421 -3.223 13.199 102 H LEU 16 H LEU 16 -2.058 -3.875 6.307 103 HA LEU 16 HA LEU 16 -3.638 -1.524 5.803 104 1HB LEU 16 1HB LEU 16 -1.790 -3.264 4.248 105 2HB LEU 16 2HB LEU 16 -2.945 -2.321 3.309 106 HG LEU 16 HG LEU 16 -2.109 -0.265 4.112 107 1HD1 LEU 16 1HD1 LEU 16 -1.288 -1.921 6.415 108 2HD1 LEU 16 2HD1 LEU 16 -0.125 -0.673 5.969 109 3HD1 LEU 16 3HD1 LEU 16 -1.787 -0.229 6.369 110 1HD2 LEU 16 1HD2 LEU 16 0.122 -2.267 3.703 111 2HD2 LEU 16 2HD2 LEU 16 -0.524 -1.104 2.545 112 3HD2 LEU 16 3HD2 LEU 16 0.448 -0.545 3.908 113 H GLU 17 H GLU 17 -4.408 -4.847 5.730 114 HA GLU 17 HA GLU 17 -6.286 -4.940 3.579 115 1HB GLU 17 1HB GLU 17 -6.031 -6.509 6.142 116 2HB GLU 17 2HB GLU 17 -7.313 -6.829 4.976 117 1HG GLU 17 1HG GLU 17 -5.281 -6.842 3.263 118 2HG GLU 17 2HG GLU 17 -4.365 -7.255 4.713 119 H ASN 18 H ASN 18 -6.483 -3.533 6.743 120 HA ASN 18 HA ASN 18 -9.338 -3.540 7.037 121 1HB ASN 18 1HB ASN 18 -7.660 -3.035 8.853 122 2HB ASN 18 2HB ASN 18 -7.400 -1.466 8.089 123 1HD2 ASN 18 2HD2 ASN 18 -9.036 0.154 8.346 124 2HD2 ASN 18 1HD2 ASN 18 -10.410 -0.071 9.317 125 H TYR 19 H TYR 19 -7.204 -1.684 5.051 126 HA TYR 19 HA TYR 19 -9.189 0.465 4.646 127 1HB TYR 19 1HB TYR 19 -6.468 0.008 3.388 128 2HB TYR 19 2HB TYR 19 -7.466 1.445 3.166 129 HD1 TYR 19 HD1 TYR 19 -8.445 2.324 5.597 130 HD2 TYR 19 HD2 TYR 19 -4.735 0.269 4.919 131 HE1 TYR 19 HE1 TYR 19 -7.532 3.285 7.686 132 HE2 TYR 19 HE2 TYR 19 -3.819 1.229 7.007 133 HH TYR 19 HH TYR 19 -5.238 3.808 8.621 134 H CYS 20 H CYS 20 -8.852 -2.617 3.452 135 HA CYS 20 HA CYS 20 -9.030 -2.400 0.665 136 1HB CYS 20 1HB CYS 20 -9.026 -4.604 1.271 137 2HB CYS 20 2HB CYS 20 -10.042 -4.346 2.682 138 H ASN 21 H ASN 21 -11.049 -2.604 -0.675 139 HA ASN 21 HA ASN 21 -12.992 -0.539 0.211 140 1HB ASN 21 1HB ASN 21 -11.712 -0.877 -2.185 141 2HB ASN 21 2HB ASN 21 -13.252 -1.675 -2.505 142 1HD2 ASN 21 2HD2 ASN 21 -11.802 1.270 -2.796 143 2HD2 ASN 21 1HD2 ASN 21 -13.156 2.284 -2.639 144 1H GLU 1 1H GLU 1 13.928 -11.382 2.313 145 2H GLU 1 2H GLU 1 14.841 -12.367 3.348 146 3H GLU 1 3H GLU 1 14.754 -10.694 3.628 147 HA GLU 1 HA GLU 1 16.833 -10.968 2.656 148 1HB GLU 1 1HB GLU 1 16.153 -13.363 1.916 149 2HB GLU 1 2HB GLU 1 15.627 -12.593 0.419 150 1HG GLU 1 1HG GLU 1 17.801 -11.874 -0.122 151 2HG GLU 1 2HG GLU 1 18.372 -12.055 1.537 152 H VAL 2 H VAL 2 14.166 -11.045 0.254 153 HA VAL 2 HA VAL 2 14.965 -8.273 -0.520 154 HB VAL 2 HB VAL 2 14.161 -9.122 -2.895 155 1HG1 VAL 2 1HG1 VAL 2 16.677 -8.837 -1.581 156 2HG1 VAL 2 2HG1 VAL 2 16.777 -10.258 -2.621 157 3HG1 VAL 2 3HG1 VAL 2 16.331 -8.695 -3.305 158 1HG2 VAL 2 1HG2 VAL 2 13.643 -11.408 -1.725 159 2HG2 VAL 2 2HG2 VAL 2 14.411 -11.418 -3.312 160 3HG2 VAL 2 3HG2 VAL 2 15.381 -11.673 -1.860 161 H ASN 3 H ASN 3 13.242 -6.985 -0.094 162 HA ASN 3 HA ASN 3 10.532 -7.974 -0.841 163 1HB ASN 3 1HB ASN 3 11.446 -6.935 1.830 164 2HB ASN 3 2HB ASN 3 9.785 -6.654 1.305 165 1HD2 ASN 3 2HD2 ASN 3 8.341 -8.471 1.228 166 2HD2 ASN 3 1HD2 ASN 3 8.782 -10.014 1.783 167 H GLN 4 H GLN 4 8.956 -5.955 -0.629 168 HA GLN 4 HA GLN 4 10.273 -3.771 -2.137 169 1HB GLN 4 1HB GLN 4 7.373 -4.483 -1.633 170 2HB GLN 4 2HB GLN 4 7.870 -3.009 -2.467 171 1HG GLN 4 1HG GLN 4 8.736 -4.175 -4.296 172 2HG GLN 4 2HG GLN 4 8.950 -5.662 -3.372 173 1HE2 GLN 4 2HE2 GLN 4 7.545 -5.699 -5.855 174 2HE2 GLN 4 1HE2 GLN 4 5.909 -6.027 -5.546 175 H HIS 5 H HIS 5 8.883 -1.553 -1.533 176 HA HIS 5 HA HIS 5 8.813 -1.272 1.421 177 1HB HIS 5 1HB HIS 5 10.461 0.542 -0.367 178 2HB HIS 5 2HB HIS 5 10.284 0.677 1.382 179 HD1 HIS 5 HD1 HIS 5 12.419 -0.789 -1.134 180 HD2 HIS 5 HD2 HIS 5 11.281 -1.838 2.736 181 HE1 HIS 5 HE1 HIS 5 14.109 -2.492 -0.328 182 H LEU 6 H LEU 6 7.880 0.906 2.028 183 HA LEU 6 HA LEU 6 5.985 1.834 -0.094 184 1HB LEU 6 1HB LEU 6 5.418 2.116 2.846 185 2HB LEU 6 2HB LEU 6 4.288 2.064 1.500 186 HG LEU 6 HG LEU 6 4.068 -0.053 2.543 187 1HD1 LEU 6 1HD1 LEU 6 5.182 0.154 -0.050 188 2HD1 LEU 6 2HD1 LEU 6 5.980 -1.215 0.724 189 3HD1 LEU 6 3HD1 LEU 6 4.222 -1.174 0.601 190 1HD2 LEU 6 1HD2 LEU 6 6.704 0.443 3.405 191 2HD2 LEU 6 2HD2 LEU 6 5.692 -0.936 3.829 192 3HD2 LEU 6 3HD2 LEU 6 6.791 -1.038 2.454 193 H CYS 7 H CYS 7 7.719 3.407 -0.662 194 HA CYS 7 HA CYS 7 7.514 5.809 1.077 195 1HB CYS 7 1HB CYS 7 9.806 4.188 0.978 196 2HB CYS 7 2HB CYS 7 10.175 5.571 -0.053 197 H GLY 8 H GLY 8 7.812 7.787 -0.101 198 1HA GLY 8 1HA GLY 8 7.878 9.158 -2.016 199 2HA GLY 8 2HA GLY 8 8.501 7.778 -2.921 200 H SER 9 H SER 9 5.488 7.786 -1.080 201 HA SER 9 HA SER 9 3.263 7.555 -1.790 202 1HB SER 9 1HB SER 9 4.554 9.172 -3.867 203 2HB SER 9 2HB SER 9 3.203 8.221 -4.478 204 HG SER 9 HG SER 9 2.719 10.360 -3.536 205 H GLU 10 H GLU 10 5.327 5.425 -2.132 206 HA GLU 10 HA GLU 10 4.264 3.982 -4.499 207 1HB GLU 10 1HB GLU 10 6.332 3.109 -4.699 208 2HB GLU 10 2HB GLU 10 6.839 4.231 -3.439 209 1HG GLU 10 1HG GLU 10 6.372 2.581 -1.725 210 2HG GLU 10 2HG GLU 10 5.723 1.470 -2.927 211 H LEU 11 H LEU 11 3.533 4.327 -1.290 212 HA LEU 11 HA LEU 11 3.092 1.596 -0.497 213 1HB LEU 11 1HB LEU 11 3.211 3.499 1.103 214 2HB LEU 11 2HB LEU 11 1.697 4.113 0.460 215 HG LEU 11 HG LEU 11 0.438 2.376 1.374 216 1HD1 LEU 11 1HD1 LEU 11 2.991 0.833 1.173 217 2HD1 LEU 11 2HD1 LEU 11 1.839 0.357 2.417 218 3HD1 LEU 11 3HD1 LEU 11 1.356 0.359 0.722 219 1HD2 LEU 11 1HD2 LEU 11 2.526 3.526 3.029 220 2HD2 LEU 11 2HD2 LEU 11 0.830 3.240 3.417 221 3HD2 LEU 11 3HD2 LEU 11 2.018 1.955 3.651 222 H VAL 12 H VAL 12 1.438 3.675 -2.677 223 HA VAL 12 HA VAL 12 -1.226 2.703 -2.411 224 HB VAL 12 HB VAL 12 0.122 4.480 -4.098 225 1HG1 VAL 12 1HG1 VAL 12 0.559 2.629 -5.691 226 2HG1 VAL 12 2HG1 VAL 12 -1.174 2.307 -5.766 227 3HG1 VAL 12 3HG1 VAL 12 -0.536 3.836 -6.370 228 1HG2 VAL 12 1HG2 VAL 12 -2.642 3.600 -3.562 229 2HG2 VAL 12 2HG2 VAL 12 -1.966 5.228 -3.606 230 3HG2 VAL 12 3HG2 VAL 12 -2.418 4.421 -5.106 231 H GLU 13 H GLU 13 1.552 1.473 -4.237 232 HA GLU 13 HA GLU 13 0.214 -0.671 -5.560 233 1HB GLU 13 1HB GLU 13 2.529 0.061 -6.099 234 2HB GLU 13 2HB GLU 13 3.072 -0.574 -4.545 235 1HG GLU 13 1HG GLU 13 3.280 -2.620 -5.451 236 2HG GLU 13 2HG GLU 13 1.562 -2.618 -5.850 237 H ALA 14 H ALA 14 1.859 -0.519 -2.404 238 HA ALA 14 HA ALA 14 1.520 -3.238 -1.665 239 1HB ALA 14 1HB ALA 14 2.395 -0.855 -0.402 240 2HB ALA 14 2HB ALA 14 1.124 -1.524 0.622 241 3HB ALA 14 3HB ALA 14 2.533 -2.503 0.209 242 H LEU 15 H LEU 15 -0.645 -0.448 -1.304 243 HA LEU 15 HA LEU 15 -2.692 -1.790 0.162 244 1HB LEU 15 1HB LEU 15 -2.647 0.622 -1.640 245 2HB LEU 15 2HB LEU 15 -4.179 0.010 -1.017 246 HG LEU 15 HG LEU 15 -1.949 0.349 0.931 247 1HD1 LEU 15 1HD1 LEU 15 -2.405 2.434 -0.754 248 2HD1 LEU 15 2HD1 LEU 15 -3.632 2.746 0.474 249 3HD1 LEU 15 3HD1 LEU 15 -1.933 2.635 0.934 250 1HD2 LEU 15 1HD2 LEU 15 -4.152 -0.577 1.582 251 2HD2 LEU 15 2HD2 LEU 15 -3.853 0.971 2.381 252 3HD2 LEU 15 3HD2 LEU 15 -4.938 0.889 0.990 253 H GLU 16 H GLU 16 -1.937 -1.678 -3.285 254 HA GLU 16 HA GLU 16 -4.355 -2.689 -4.340 255 1HB GLU 16 1HB GLU 16 -1.478 -3.093 -5.165 256 2HB GLU 16 2HB GLU 16 -2.812 -3.807 -6.068 257 1HG GLU 16 1HG GLU 16 -3.409 -1.045 -5.518 258 2HG GLU 16 2HG GLU 16 -1.820 -1.161 -6.275 259 H LEU 17 H LEU 17 -1.801 -4.279 -2.540 260 HA LEU 17 HA LEU 17 -2.661 -6.988 -3.083 261 1HB LEU 17 1HB LEU 17 -0.388 -6.343 -2.195 262 2HB LEU 17 2HB LEU 17 -1.159 -5.963 -0.654 263 HG LEU 17 HG LEU 17 -1.822 -8.620 -1.785 264 1HD1 LEU 17 1HD1 LEU 17 0.963 -7.751 -1.177 265 2HD1 LEU 17 2HD1 LEU 17 0.463 -9.322 -0.552 266 3HD1 LEU 17 3HD1 LEU 17 0.393 -8.998 -2.284 267 1HD2 LEU 17 1HD2 LEU 17 -2.280 -7.406 0.570 268 2HD2 LEU 17 2HD2 LEU 17 -2.096 -9.154 0.441 269 3HD2 LEU 17 3HD2 LEU 17 -0.734 -8.160 0.956 270 H VAL 18 H VAL 18 -3.390 -4.587 -0.581 271 HA VAL 18 HA VAL 18 -4.789 -6.049 1.304 272 HB VAL 18 HB VAL 18 -5.329 -3.335 0.095 273 1HG1 VAL 18 1HG1 VAL 18 -7.088 -4.948 1.854 274 2HG1 VAL 18 2HG1 VAL 18 -6.795 -3.292 2.382 275 3HG1 VAL 18 3HG1 VAL 18 -7.490 -3.601 0.790 276 1HG2 VAL 18 1HG2 VAL 18 -3.369 -3.701 1.582 277 2HG2 VAL 18 2HG2 VAL 18 -4.538 -2.584 2.284 278 3HG2 VAL 18 3HG2 VAL 18 -4.460 -4.253 2.850 279 H CYS 19 H CYS 19 -6.589 -4.446 -1.343 280 HA CYS 19 HA CYS 19 -8.274 -6.910 -1.489 281 1HB CYS 19 1HB CYS 19 -9.025 -4.179 -0.968 282 2HB CYS 19 2HB CYS 19 -9.740 -4.699 -2.495 283 H GLY 20 H GLY 20 -6.585 -4.365 -3.192 284 1HA GLY 20 1HA GLY 20 -6.047 -4.089 -5.454 285 2HA GLY 20 2HA GLY 20 -5.965 -5.847 -5.468 286 H GLU 21 H GLU 21 -7.896 -7.031 -6.072 287 HA GLU 21 HA GLU 21 -9.276 -5.942 -8.290 288 1HB GLU 21 1HB GLU 21 -9.530 -8.372 -6.609 289 2HB GLU 21 2HB GLU 21 -10.968 -7.915 -7.523 290 1HG GLU 21 1HG GLU 21 -8.190 -8.286 -8.684 291 2HG GLU 21 2HG GLU 21 -9.527 -9.424 -8.844 292 H ARG 22 H ARG 22 -9.931 -5.636 -4.895 293 HA ARG 22 HA ARG 22 -12.657 -4.597 -5.488 294 1HB ARG 22 1HB ARG 22 -11.582 -4.724 -2.698 295 2HB ARG 22 2HB ARG 22 -13.222 -5.002 -3.287 296 1HG ARG 22 1HG ARG 22 -10.983 -6.892 -3.985 297 2HG ARG 22 2HG ARG 22 -11.911 -7.062 -2.493 298 1HD ARG 22 1HD ARG 22 -13.529 -6.603 -4.911 299 2HD ARG 22 2HD ARG 22 -12.675 -8.148 -4.876 300 HE ARG 22 HE ARG 22 -13.853 -7.895 -2.355 301 1HH1 ARG 22 1HH1 ARG 22 -14.871 -7.852 -5.655 302 2HH1 ARG 22 2HH1 ARG 22 -16.446 -8.484 -5.312 303 1HH2 ARG 22 1HH2 ARG 22 -15.903 -8.724 -1.897 304 2HH2 ARG 22 2HH2 ARG 22 -17.028 -8.980 -3.187 305 H GLY 23 H GLY 23 -9.450 -3.634 -4.556 306 1HA GLY 23 1HA GLY 23 -8.607 -1.400 -4.796 307 2HA GLY 23 2HA GLY 23 -10.266 -0.806 -4.816 308 H PHE 24 H PHE 24 -9.248 0.762 -3.233 309 HA PHE 24 HA PHE 24 -9.909 -0.123 -0.518 310 1HB PHE 24 1HB PHE 24 -7.581 0.990 0.186 311 2HB PHE 24 2HB PHE 24 -7.706 -0.730 -0.168 312 HD1 PHE 24 HD1 PHE 24 -7.196 -1.510 -2.570 313 HD2 PHE 24 HD2 PHE 24 -6.196 2.400 -1.103 314 HE1 PHE 24 HE1 PHE 24 -5.578 -1.230 -4.420 315 HE2 PHE 24 HE2 PHE 24 -4.579 2.681 -2.952 316 HZ PHE 24 HZ PHE 24 -4.266 0.867 -4.616 317 H PHE 25 H PHE 25 -9.456 1.869 1.017 318 HA PHE 25 HA PHE 25 -10.391 4.292 -0.460 319 1HB PHE 25 1HB PHE 25 -10.570 3.761 2.520 320 2HB PHE 25 2HB PHE 25 -11.401 5.018 1.605 321 HD1 PHE 25 HD1 PHE 25 -12.915 4.169 -0.377 322 HD2 PHE 25 HD2 PHE 25 -11.671 1.746 2.944 323 HE1 PHE 25 HE1 PHE 25 -14.795 2.611 -0.811 324 HE2 PHE 25 HE2 PHE 25 -13.552 0.186 2.510 325 HZ PHE 25 HZ PHE 25 -15.113 0.620 0.632 326 H TYR 26 H TYR 26 -7.817 4.144 -0.846 327 HA TYR 26 HA TYR 26 -5.882 4.725 1.011 328 1HB TYR 26 1HB TYR 26 -5.815 4.739 -1.630 329 2HB TYR 26 2HB TYR 26 -5.966 6.485 -1.414 330 HD1 TYR 26 HD1 TYR 26 -4.420 7.424 0.594 331 HD2 TYR 26 HD2 TYR 26 -3.651 3.885 -1.714 332 HE1 TYR 26 HE1 TYR 26 -2.024 7.560 1.190 333 HE2 TYR 26 HE2 TYR 26 -1.255 4.020 -1.119 334 HH TYR 26 HH TYR 26 0.079 5.087 0.904 335 H GLU 27 H GLU 27 -5.723 6.183 2.606 336 HA GLU 27 HA GLU 27 -6.156 8.983 2.315 337 1HB GLU 27 1HB GLU 27 -8.520 7.358 2.996 338 2HB GLU 27 2HB GLU 27 -8.219 8.690 4.114 339 1HG GLU 27 1HG GLU 27 -7.844 9.516 1.349 340 2HG GLU 27 2HG GLU 27 -9.466 8.875 1.618 341 HA PRO 28 HA PRO 28 -3.655 7.407 5.869 342 1HB PRO 28 1HB PRO 28 -1.950 9.679 5.436 343 2HB PRO 28 2HB PRO 28 -1.581 7.971 5.155 344 1HG PRO 28 1HG PRO 28 -2.081 10.018 3.188 345 2HG PRO 28 2HG PRO 28 -1.687 8.315 2.914 346 1HD PRO 28 1HD PRO 28 -4.220 9.610 2.527 347 2HD PRO 28 2HD PRO 28 -3.830 7.896 2.298 348 H LYS 29 H LYS 29 -5.203 8.029 7.428 349 HA LYS 29 HA LYS 29 -6.353 10.455 8.002 350 1HB LYS 29 1HB LYS 29 -5.479 9.608 10.553 351 2HB LYS 29 2HB LYS 29 -7.039 9.291 9.805 352 1HG LYS 29 1HG LYS 29 -5.947 7.199 10.531 353 2HG LYS 29 2HG LYS 29 -6.142 7.237 8.781 354 1HD LYS 29 1HD LYS 29 -3.904 7.178 8.441 355 2HD LYS 29 2HD LYS 29 -3.621 8.446 9.635 356 1HE LYS 29 1HE LYS 29 -4.378 6.274 11.187 357 2HE LYS 29 2HE LYS 29 -3.396 5.541 9.919 358 1HZ LYS 29 1HZ LYS 29 -2.526 7.936 11.430 359 2HZ LYS 29 2HZ LYS 29 -2.166 6.357 11.936 360 3HZ LYS 29 3HZ LYS 29 -1.586 6.922 10.442 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -2.280 7.851 8.222 2 2H GLY 1 2H GLY 1 -3.180 6.545 8.832 3 3H GLY 1 3H GLY 1 -2.452 7.643 9.900 4 1HA GLY 1 1HA GLY 1 -0.274 6.925 9.298 5 2HA GLY 1 2HA GLY 1 -1.241 5.511 9.722 6 H ILE 2 H ILE 2 -2.818 5.620 7.235 7 HA ILE 2 HA ILE 2 -1.217 3.934 5.601 8 HB ILE 2 HB ILE 2 -3.801 4.300 5.681 9 1HG1 ILE 2 1HG1 ILE 2 -3.031 4.007 2.846 10 2HG1 ILE 2 2HG1 ILE 2 -2.145 2.963 3.958 11 1HG2 ILE 2 1HG2 ILE 2 -3.694 6.690 5.060 12 2HG2 ILE 2 2HG2 ILE 2 -3.018 6.246 3.494 13 3HG2 ILE 2 3HG2 ILE 2 -4.658 5.759 3.919 14 1HD1 ILE 2 1HD1 ILE 2 -5.155 3.219 4.051 15 2HD1 ILE 2 2HD1 ILE 2 -4.344 2.028 3.033 16 3HD1 ILE 2 3HD1 ILE 2 -4.145 1.972 4.784 17 H GLY 3 H GLY 3 -1.416 4.929 2.979 18 1HA GLY 3 1HA GLY 3 -0.673 6.839 1.635 19 2HA GLY 3 2HA GLY 3 0.190 7.441 3.056 20 H GLU 4 H GLU 4 2.315 6.845 3.300 21 HA GLU 4 HA GLU 4 3.304 4.363 2.111 22 1HB GLU 4 1HB GLU 4 4.403 5.200 0.322 23 2HB GLU 4 2HB GLU 4 3.365 6.612 0.508 24 1HG GLU 4 1HG GLU 4 5.161 7.369 2.239 25 2HG GLU 4 2HG GLU 4 6.195 6.211 1.399 26 H GLN 5 H GLN 5 3.043 5.945 4.720 27 HA GLN 5 HA GLN 5 5.507 6.805 5.721 28 1HB GLN 5 1HB GLN 5 3.017 5.739 6.856 29 2HB GLN 5 2HB GLN 5 4.434 5.415 7.855 30 1HG GLN 5 1HG GLN 5 4.511 7.561 8.525 31 2HG GLN 5 2HG GLN 5 4.553 8.118 6.852 32 1HE2 GLN 5 2HE2 GLN 5 1.994 7.139 5.993 33 2HE2 GLN 5 1HE2 GLN 5 0.789 7.991 6.833 34 H CYS 6 H CYS 6 4.243 3.465 5.632 35 HA CYS 6 HA CYS 6 6.325 2.120 6.924 36 1HB CYS 6 1HB CYS 6 4.152 1.203 5.825 37 2HB CYS 6 2HB CYS 6 5.149 1.021 4.380 38 H CYS 7 H CYS 7 8.325 3.253 6.420 39 HA CYS 7 HA CYS 7 9.303 2.808 3.630 40 1HB CYS 7 1HB CYS 7 9.251 5.172 4.348 41 2HB CYS 7 2HB CYS 7 10.275 4.772 5.728 42 H THR 8 H THR 8 11.607 2.212 3.433 43 HA THR 8 HA THR 8 13.366 0.746 3.939 44 HB THR 8 HB THR 8 13.607 0.966 6.732 45 HG1 THR 8 HG1 THR 8 13.104 3.523 5.685 46 1HG2 THR 8 1HG2 THR 8 14.843 2.353 4.363 47 2HG2 THR 8 2HG2 THR 8 15.358 2.733 6.006 48 3HG2 THR 8 3HG2 THR 8 15.533 1.092 5.385 49 H SER 9 H SER 9 10.695 -0.380 3.933 50 HA SER 9 HA SER 9 11.270 -2.880 5.248 51 1HB SER 9 1HB SER 9 9.013 -2.552 6.673 52 2HB SER 9 2HB SER 9 10.602 -2.165 7.325 53 HG SER 9 HG SER 9 9.683 -0.274 7.587 54 H ILE 10 H ILE 10 8.845 -4.040 5.430 55 HA ILE 10 HA ILE 10 7.364 -3.354 2.942 56 HB ILE 10 HB ILE 10 8.024 -6.222 3.579 57 1HG1 ILE 10 1HG1 ILE 10 9.743 -4.164 2.180 58 2HG1 ILE 10 2HG1 ILE 10 10.207 -5.275 3.467 59 1HG2 ILE 10 1HG2 ILE 10 6.307 -5.203 1.806 60 2HG2 ILE 10 2HG2 ILE 10 7.775 -5.045 0.839 61 3HG2 ILE 10 3HG2 ILE 10 7.272 -6.631 1.428 62 1HD1 ILE 10 1HD1 ILE 10 9.365 -6.152 0.692 63 2HD1 ILE 10 2HD1 ILE 10 11.042 -5.967 1.207 64 3HD1 ILE 10 3HD1 ILE 10 10.012 -7.176 1.973 65 H CYS 11 H CYS 11 5.987 -2.546 4.799 66 HA CYS 11 HA CYS 11 4.803 -3.983 6.819 67 1HB CYS 11 1HB CYS 11 3.659 -1.959 4.906 68 2HB CYS 11 2HB CYS 11 2.632 -2.693 6.139 69 H SER 12 H SER 12 3.983 -6.002 6.811 70 HA SER 12 HA SER 12 3.367 -7.628 4.670 71 1HB SER 12 1HB SER 12 1.728 -8.785 6.221 72 2HB SER 12 2HB SER 12 3.337 -8.543 6.894 73 HG SER 12 HG SER 12 1.288 -6.633 7.243 74 H LEU 13 H LEU 13 1.138 -8.353 3.910 75 HA LEU 13 HA LEU 13 -0.425 -5.938 3.197 76 1HB LEU 13 1HB LEU 13 -0.352 -8.779 2.168 77 2HB LEU 13 2HB LEU 13 -1.612 -7.647 1.684 78 HG LEU 13 HG LEU 13 0.151 -7.537 0.030 79 1HD1 LEU 13 1HD1 LEU 13 -0.876 -5.369 1.197 80 2HD1 LEU 13 2HD1 LEU 13 0.803 -5.132 1.682 81 3HD1 LEU 13 3HD1 LEU 13 0.387 -5.237 -0.028 82 1HD2 LEU 13 1HD2 LEU 13 1.814 -8.276 2.068 83 2HD2 LEU 13 2HD2 LEU 13 2.378 -7.645 0.521 84 3HD2 LEU 13 3HD2 LEU 13 2.220 -6.568 1.909 85 H TYR 14 H TYR 14 -0.936 -9.172 4.602 86 HA TYR 14 HA TYR 14 -3.637 -9.241 5.076 87 1HB TYR 14 1HB TYR 14 -1.302 -10.086 6.732 88 2HB TYR 14 2HB TYR 14 -2.909 -10.143 7.458 89 HD1 TYR 14 HD1 TYR 14 -1.480 -10.891 4.067 90 HD2 TYR 14 HD2 TYR 14 -3.894 -12.237 7.350 91 HE1 TYR 14 HE1 TYR 14 -1.969 -12.985 2.846 92 HE2 TYR 14 HE2 TYR 14 -4.385 -14.334 6.131 93 HH TYR 14 HH TYR 14 -4.404 -14.941 3.454 94 H GLN 15 H GLN 15 -1.295 -7.236 6.836 95 HA GLN 15 HA GLN 15 -3.179 -6.243 8.767 96 1HB GLN 15 1HB GLN 15 -0.421 -5.630 7.874 97 2HB GLN 15 2HB GLN 15 -1.301 -4.291 8.600 98 1HG GLN 15 1HG GLN 15 -1.263 -7.001 9.907 99 2HG GLN 15 2HG GLN 15 0.046 -5.850 10.175 100 1HE2 GLN 15 2HE2 GLN 15 -0.557 -3.725 11.163 101 2HE2 GLN 15 1HE2 GLN 15 -1.963 -3.607 12.107 102 H LEU 16 H LEU 16 -1.934 -4.947 5.684 103 HA LEU 16 HA LEU 16 -3.485 -2.533 5.745 104 1HB LEU 16 1HB LEU 16 -1.894 -4.034 3.733 105 2HB LEU 16 2HB LEU 16 -3.119 -2.943 3.093 106 HG LEU 16 HG LEU 16 -2.139 -1.049 4.103 107 1HD1 LEU 16 1HD1 LEU 16 -0.646 -3.052 5.817 108 2HD1 LEU 16 2HD1 LEU 16 -0.202 -1.346 5.744 109 3HD1 LEU 16 3HD1 LEU 16 -1.790 -1.819 6.346 110 1HD2 LEU 16 1HD2 LEU 16 -0.364 -2.954 2.745 111 2HD2 LEU 16 2HD2 LEU 16 -0.590 -1.228 2.456 112 3HD2 LEU 16 3HD2 LEU 16 0.505 -1.774 3.726 113 H GLU 17 H GLU 17 -4.382 -5.797 5.180 114 HA GLU 17 HA GLU 17 -6.513 -5.460 3.313 115 1HB GLU 17 1HB GLU 17 -5.850 -7.483 5.412 116 2HB GLU 17 2HB GLU 17 -7.450 -7.513 4.675 117 1HG GLU 17 1HG GLU 17 -6.154 -7.365 2.421 118 2HG GLU 17 2HG GLU 17 -4.771 -7.912 3.368 119 H ASN 18 H ASN 18 -6.295 -4.748 6.726 120 HA ASN 18 HA ASN 18 -9.096 -4.691 7.320 121 1HB ASN 18 1HB ASN 18 -7.484 -4.672 9.121 122 2HB ASN 18 2HB ASN 18 -6.759 -3.183 8.515 123 1HD2 ASN 18 1HD2 ASN 18 -8.838 -4.274 10.871 124 2HD2 ASN 18 2HD2 ASN 18 -9.773 -2.874 11.091 125 H TYR 19 H TYR 19 -7.041 -2.487 5.583 126 HA TYR 19 HA TYR 19 -8.974 -0.274 5.846 127 1HB TYR 19 1HB TYR 19 -6.527 -0.327 4.079 128 2HB TYR 19 2HB TYR 19 -7.359 1.077 4.748 129 HD1 TYR 19 HD1 TYR 19 -7.780 0.425 7.536 130 HD2 TYR 19 HD2 TYR 19 -4.390 -0.440 5.043 131 HE1 TYR 19 HE1 TYR 19 -6.331 0.331 9.538 132 HE2 TYR 19 HE2 TYR 19 -2.942 -0.532 7.045 133 HH TYR 19 HH TYR 19 -3.147 0.601 9.519 134 H CYS 20 H CYS 20 -8.808 -2.993 3.894 135 HA CYS 20 HA CYS 20 -9.193 -2.221 1.270 136 1HB CYS 20 1HB CYS 20 -9.476 -4.476 1.394 137 2HB CYS 20 2HB CYS 20 -10.301 -4.407 2.944 138 H ASN 21 H ASN 21 -11.228 -1.866 0.042 139 HA ASN 21 HA ASN 21 -12.656 0.413 1.056 140 1HB ASN 21 1HB ASN 21 -12.286 -0.741 -1.433 141 2HB ASN 21 2HB ASN 21 -13.994 -1.043 -1.112 142 1HD2 ASN 21 2HD2 ASN 21 -11.966 1.207 -2.473 143 2HD2 ASN 21 1HD2 ASN 21 -12.910 2.603 -2.268 144 1H GLU 1 1H GLU 1 19.252 -8.898 1.312 145 2H GLU 1 2H GLU 1 19.559 -10.045 2.528 146 3H GLU 1 3H GLU 1 18.583 -10.452 1.199 147 HA GLU 1 HA GLU 1 16.819 -9.889 2.395 148 1HB GLU 1 1HB GLU 1 19.012 -9.269 4.253 149 2HB GLU 1 2HB GLU 1 17.555 -8.316 4.540 150 1HG GLU 1 1HG GLU 1 16.653 -10.936 4.030 151 2HG GLU 1 2HG GLU 1 18.035 -11.113 5.109 152 H VAL 2 H VAL 2 15.469 -8.369 1.570 153 HA VAL 2 HA VAL 2 16.478 -5.556 1.418 154 HB VAL 2 HB VAL 2 14.709 -7.037 -0.551 155 1HG1 VAL 2 1HG1 VAL 2 14.626 -4.336 0.112 156 2HG1 VAL 2 2HG1 VAL 2 15.681 -4.384 -1.300 157 3HG1 VAL 2 3HG1 VAL 2 14.050 -5.046 -1.396 158 1HG2 VAL 2 1HG2 VAL 2 17.389 -7.166 -0.409 159 2HG2 VAL 2 2HG2 VAL 2 16.539 -7.120 -1.953 160 3HG2 VAL 2 3HG2 VAL 2 17.244 -5.645 -1.290 161 H ASN 3 H ASN 3 15.431 -5.155 3.476 162 HA ASN 3 HA ASN 3 12.508 -5.514 3.621 163 1HB ASN 3 1HB ASN 3 14.425 -4.200 5.574 164 2HB ASN 3 2HB ASN 3 12.739 -4.613 5.895 165 1HD2 ASN 3 2HD2 ASN 3 12.818 -6.384 7.301 166 2HD2 ASN 3 1HD2 ASN 3 13.757 -7.775 7.048 167 H GLN 4 H GLN 4 12.115 -4.055 1.754 168 HA GLN 4 HA GLN 4 11.442 -1.389 2.620 169 1HB GLN 4 1HB GLN 4 13.780 -0.898 2.339 170 2HB GLN 4 2HB GLN 4 13.828 -1.751 0.796 171 1HG GLN 4 1HG GLN 4 12.143 -0.087 -0.081 172 2HG GLN 4 2HG GLN 4 12.357 0.824 1.415 173 1HE2 GLN 4 2HE2 GLN 4 13.179 1.368 -1.537 174 2HE2 GLN 4 1HE2 GLN 4 14.817 1.798 -1.415 175 H HIS 5 H HIS 5 9.836 -0.578 1.247 176 HA HIS 5 HA HIS 5 9.692 -1.269 -1.533 177 1HB HIS 5 1HB HIS 5 9.093 -3.458 -0.313 178 2HB HIS 5 2HB HIS 5 7.587 -2.651 0.119 179 HD1 HIS 5 HD1 HIS 5 8.744 -4.874 -2.328 180 HD2 HIS 5 HD2 HIS 5 6.535 -1.346 -2.548 181 HE1 HIS 5 HE1 HIS 5 7.546 -4.917 -4.559 182 H LEU 6 H LEU 6 7.989 -0.162 1.358 183 HA LEU 6 HA LEU 6 6.143 1.396 -0.397 184 1HB LEU 6 1HB LEU 6 5.776 1.295 2.564 185 2HB LEU 6 2HB LEU 6 4.566 1.304 1.284 186 HG LEU 6 HG LEU 6 6.379 -1.032 1.964 187 1HD1 LEU 6 1HD1 LEU 6 4.177 -0.200 3.369 188 2HD1 LEU 6 2HD1 LEU 6 3.452 -1.300 2.198 189 3HD1 LEU 6 3HD1 LEU 6 4.724 -1.874 3.275 190 1HD2 LEU 6 1HD2 LEU 6 4.202 -0.609 -0.095 191 2HD2 LEU 6 2HD2 LEU 6 5.870 -1.113 -0.370 192 3HD2 LEU 6 3HD2 LEU 6 4.732 -2.216 0.403 193 H CYS 7 H CYS 7 8.415 2.610 -0.616 194 HA CYS 7 HA CYS 7 8.254 4.903 1.294 195 1HB CYS 7 1HB CYS 7 10.275 3.254 1.572 196 2HB CYS 7 2HB CYS 7 10.886 4.044 0.119 197 H GLY 8 H GLY 8 7.419 6.481 -0.011 198 1HA GLY 8 1HA GLY 8 8.249 8.206 -1.664 199 2HA GLY 8 2HA GLY 8 8.685 6.846 -2.700 200 H SER 9 H SER 9 6.590 5.237 -2.803 201 HA SER 9 HA SER 9 3.974 6.268 -2.772 202 1HB SER 9 1HB SER 9 4.169 6.445 -5.547 203 2HB SER 9 2HB SER 9 3.986 7.797 -4.434 204 HG SER 9 HG SER 9 5.858 7.803 -5.928 205 H GLU 10 H GLU 10 5.439 3.785 -2.477 206 HA GLU 10 HA GLU 10 4.300 2.166 -4.711 207 1HB GLU 10 1HB GLU 10 6.548 1.662 -2.756 208 2HB GLU 10 2HB GLU 10 5.836 0.363 -3.716 209 1HG GLU 10 1HG GLU 10 6.240 1.974 -5.734 210 2HG GLU 10 2HG GLU 10 7.380 2.770 -4.647 211 H LEU 11 H LEU 11 3.735 3.030 -1.481 212 HA LEU 11 HA LEU 11 2.784 0.584 -0.373 213 1HB LEU 11 1HB LEU 11 3.094 2.724 0.904 214 2HB LEU 11 2HB LEU 11 1.643 3.339 0.114 215 HG LEU 11 HG LEU 11 0.374 1.375 1.019 216 1HD1 LEU 11 1HD1 LEU 11 2.972 0.919 2.523 217 2HD1 LEU 11 2HD1 LEU 11 1.447 0.099 2.870 218 3HD1 LEU 11 3HD1 LEU 11 2.254 -0.163 1.323 219 1HD2 LEU 11 1HD2 LEU 11 1.653 3.482 2.697 220 2HD2 LEU 11 2HD2 LEU 11 -0.058 3.175 2.392 221 3HD2 LEU 11 3HD2 LEU 11 0.825 2.182 3.552 222 H VAL 12 H VAL 12 1.390 2.745 -2.751 223 HA VAL 12 HA VAL 12 -1.335 1.969 -2.515 224 HB VAL 12 HB VAL 12 0.177 3.569 -4.271 225 1HG1 VAL 12 1HG1 VAL 12 -1.322 1.412 -5.785 226 2HG1 VAL 12 2HG1 VAL 12 -0.683 2.893 -6.499 227 3HG1 VAL 12 3HG1 VAL 12 0.420 1.690 -5.827 228 1HG2 VAL 12 1HG2 VAL 12 -2.676 2.953 -3.724 229 2HG2 VAL 12 2HG2 VAL 12 -1.833 4.503 -3.699 230 3HG2 VAL 12 3HG2 VAL 12 -2.338 3.797 -5.234 231 H GLU 13 H GLU 13 1.380 0.482 -4.243 232 HA GLU 13 HA GLU 13 -0.116 -1.631 -5.469 233 1HB GLU 13 1HB GLU 13 2.408 -0.889 -5.750 234 2HB GLU 13 2HB GLU 13 2.682 -2.062 -4.461 235 1HG GLU 13 1HG GLU 13 1.005 -3.448 -6.145 236 2HG GLU 13 2HG GLU 13 1.974 -2.511 -7.282 237 H ALA 14 H ALA 14 1.589 -1.383 -2.357 238 HA ALA 14 HA ALA 14 1.060 -3.998 -1.396 239 1HB ALA 14 1HB ALA 14 2.152 -1.603 -0.361 240 2HB ALA 14 2HB ALA 14 0.841 -2.052 0.730 241 3HB ALA 14 3HB ALA 14 2.149 -3.192 0.407 242 H LEU 15 H LEU 15 -0.963 -1.147 -1.627 243 HA LEU 15 HA LEU 15 -3.086 -2.256 0.047 244 1HB LEU 15 1HB LEU 15 -2.842 0.196 -1.703 245 2HB LEU 15 2HB LEU 15 -4.355 -0.242 -0.910 246 HG LEU 15 HG LEU 15 -1.927 -0.264 0.794 247 1HD1 LEU 15 1HD1 LEU 15 -1.860 1.831 -0.734 248 2HD1 LEU 15 2HD1 LEU 15 -3.274 2.364 0.175 249 3HD1 LEU 15 3HD1 LEU 15 -1.744 2.080 1.006 250 1HD2 LEU 15 1HD2 LEU 15 -4.517 -0.646 1.300 251 2HD2 LEU 15 2HD2 LEU 15 -3.471 0.175 2.470 252 3HD2 LEU 15 3HD2 LEU 15 -4.510 1.120 1.404 253 H GLU 16 H GLU 16 -2.246 -2.220 -3.355 254 HA GLU 16 HA GLU 16 -4.789 -2.808 -4.477 255 1HB GLU 16 1HB GLU 16 -1.960 -3.423 -5.275 256 2HB GLU 16 2HB GLU 16 -3.298 -4.141 -6.171 257 1HG GLU 16 1HG GLU 16 -4.249 -1.740 -6.299 258 2HG GLU 16 2HG GLU 16 -2.628 -1.221 -5.834 259 H LEU 17 H LEU 17 -2.454 -4.804 -2.778 260 HA LEU 17 HA LEU 17 -3.699 -7.338 -3.417 261 1HB LEU 17 1HB LEU 17 -1.309 -6.799 -2.472 262 2HB LEU 17 2HB LEU 17 -2.119 -6.883 -0.908 263 HG LEU 17 HG LEU 17 -2.907 -9.092 -2.625 264 1HD1 LEU 17 1HD1 LEU 17 -0.470 -8.508 -3.367 265 2HD1 LEU 17 2HD1 LEU 17 -0.014 -9.160 -1.793 266 3HD1 LEU 17 3HD1 LEU 17 -0.853 -10.181 -2.961 267 1HD2 LEU 17 1HD2 LEU 17 -3.159 -8.884 -0.131 268 2HD2 LEU 17 2HD2 LEU 17 -2.355 -10.371 -0.634 269 3HD2 LEU 17 3HD2 LEU 17 -1.408 -9.031 0.012 270 H VAL 18 H VAL 18 -4.103 -4.908 -0.908 271 HA VAL 18 HA VAL 18 -5.573 -6.329 1.007 272 HB VAL 18 HB VAL 18 -5.784 -3.469 0.034 273 1HG1 VAL 18 1HG1 VAL 18 -7.575 -4.993 1.848 274 2HG1 VAL 18 2HG1 VAL 18 -7.024 -3.429 2.450 275 3HG1 VAL 18 3HG1 VAL 18 -7.895 -3.528 0.919 276 1HG2 VAL 18 1HG2 VAL 18 -4.739 -4.805 2.546 277 2HG2 VAL 18 2HG2 VAL 18 -3.769 -4.077 1.267 278 3HG2 VAL 18 3HG2 VAL 18 -4.792 -3.062 2.282 279 H CYS 19 H CYS 19 -7.274 -4.198 -1.291 280 HA CYS 19 HA CYS 19 -9.296 -6.376 -1.596 281 1HB CYS 19 1HB CYS 19 -9.613 -3.677 -0.669 282 2HB CYS 19 2HB CYS 19 -10.456 -3.843 -2.212 283 H GLY 20 H GLY 20 -7.384 -3.873 -3.123 284 1HA GLY 20 1HA GLY 20 -6.840 -3.496 -5.364 285 2HA GLY 20 2HA GLY 20 -7.230 -5.194 -5.617 286 H GLU 21 H GLU 21 -9.438 -5.739 -6.184 287 HA GLU 21 HA GLU 21 -10.598 -4.014 -8.106 288 1HB GLU 21 1HB GLU 21 -11.163 -6.603 -6.989 289 2HB GLU 21 2HB GLU 21 -12.663 -5.679 -7.108 290 1HG GLU 21 1HG GLU 21 -12.356 -5.299 -9.448 291 2HG GLU 21 2HG GLU 21 -10.689 -5.872 -9.391 292 H ARG 22 H ARG 22 -12.429 -4.990 -5.200 293 HA ARG 22 HA ARG 22 -14.236 -2.883 -5.182 294 1HB ARG 22 1HB ARG 22 -13.388 -4.862 -3.322 295 2HB ARG 22 2HB ARG 22 -13.413 -3.319 -2.464 296 1HG ARG 22 1HG ARG 22 -15.629 -4.033 -2.234 297 2HG ARG 22 2HG ARG 22 -15.725 -3.007 -3.667 298 1HD ARG 22 1HD ARG 22 -16.637 -4.805 -4.695 299 2HD ARG 22 2HD ARG 22 -14.998 -5.457 -4.718 300 HE ARG 22 HE ARG 22 -15.953 -6.180 -2.226 301 1HH1 ARG 22 1HH1 ARG 22 -17.020 -6.496 -5.496 302 2HH1 ARG 22 2HH1 ARG 22 -17.850 -7.989 -5.217 303 1HH2 ARG 22 1HH2 ARG 22 -17.035 -8.126 -1.851 304 2HH2 ARG 22 2HH2 ARG 22 -17.864 -8.907 -3.155 305 H GLY 23 H GLY 23 -10.846 -2.813 -4.374 306 1HA GLY 23 1HA GLY 23 -9.586 -0.738 -4.497 307 2HA GLY 23 2HA GLY 23 -11.050 0.137 -4.058 308 H PHE 24 H PHE 24 -9.460 1.100 -2.465 309 HA PHE 24 HA PHE 24 -9.736 -0.346 0.096 310 1HB PHE 24 1HB PHE 24 -7.202 0.550 0.444 311 2HB PHE 24 2HB PHE 24 -7.574 -1.087 -0.091 312 HD1 PHE 24 HD1 PHE 24 -7.683 -1.550 -2.603 313 HD2 PHE 24 HD2 PHE 24 -6.017 2.049 -0.954 314 HE1 PHE 24 HE1 PHE 24 -6.490 -1.130 -4.728 315 HE2 PHE 24 HE2 PHE 24 -4.825 2.471 -3.080 316 HZ PHE 24 HZ PHE 24 -5.057 0.883 -4.972 317 H PHE 25 H PHE 25 -8.654 1.252 1.855 318 HA PHE 25 HA PHE 25 -9.954 3.872 1.367 319 1HB PHE 25 1HB PHE 25 -9.075 2.361 3.806 320 2HB PHE 25 2HB PHE 25 -9.291 4.107 3.893 321 HD1 PHE 25 HD1 PHE 25 -11.084 1.139 2.444 322 HD2 PHE 25 HD2 PHE 25 -11.371 4.864 4.560 323 HE1 PHE 25 HE1 PHE 25 -13.538 0.833 2.650 324 HE2 PHE 25 HE2 PHE 25 -13.824 4.561 4.765 325 HZ PHE 25 HZ PHE 25 -14.908 2.544 3.810 326 H TYR 26 H TYR 26 -7.967 4.187 -0.182 327 HA TYR 26 HA TYR 26 -5.443 4.736 1.176 328 1HB TYR 26 1HB TYR 26 -5.831 3.991 -1.314 329 2HB TYR 26 2HB TYR 26 -6.033 5.725 -1.594 330 HD1 TYR 26 HD1 TYR 26 -4.240 7.131 -0.034 331 HD2 TYR 26 HD2 TYR 26 -3.658 3.236 -1.734 332 HE1 TYR 26 HE1 TYR 26 -1.797 7.439 0.124 333 HE2 TYR 26 HE2 TYR 26 -1.209 3.539 -1.580 334 HH TYR 26 HH TYR 26 0.442 5.003 -1.178 335 H GLU 27 H GLU 27 -5.842 6.357 2.668 336 HA GLU 27 HA GLU 27 -5.998 9.076 1.559 337 1HB GLU 27 1HB GLU 27 -8.168 7.807 3.166 338 2HB GLU 27 2HB GLU 27 -7.742 9.470 3.569 339 1HG GLU 27 1HG GLU 27 -8.084 8.789 0.681 340 2HG GLU 27 2HG GLU 27 -9.538 8.917 1.672 341 HA PRO 28 HA PRO 28 -2.932 8.362 4.935 342 1HB PRO 28 1HB PRO 28 -1.344 10.409 3.728 343 2HB PRO 28 2HB PRO 28 -1.032 8.666 3.764 344 1HG PRO 28 1HG PRO 28 -1.918 10.285 1.526 345 2HG PRO 28 2HG PRO 28 -1.472 8.574 1.543 346 1HD PRO 28 1HD PRO 28 -4.095 9.658 1.287 347 2HD PRO 28 2HD PRO 28 -3.653 7.952 1.467 348 H LYS 29 H LYS 29 -3.578 9.406 6.772 349 HA LYS 29 HA LYS 29 -4.364 12.269 6.589 350 1HB LYS 29 1HB LYS 29 -5.087 11.770 9.045 351 2HB LYS 29 2HB LYS 29 -6.042 11.079 7.733 352 1HG LYS 29 1HG LYS 29 -3.730 9.484 8.742 353 2HG LYS 29 2HG LYS 29 -5.168 9.575 9.760 354 1HD LYS 29 1HD LYS 29 -5.769 9.093 6.923 355 2HD LYS 29 2HD LYS 29 -4.826 7.805 7.674 356 1HE LYS 29 1HE LYS 29 -7.393 8.950 8.811 357 2HE LYS 29 2HE LYS 29 -7.278 7.438 7.910 358 1HZ LYS 29 1HZ LYS 29 -5.328 7.408 9.908 359 2HZ LYS 29 2HZ LYS 29 -6.787 7.879 10.633 360 3HZ LYS 29 3HZ LYS 29 -6.703 6.419 9.768
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