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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
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6546 |
1j7m ![]() ![]() |
5012 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 1H SER 1 8.784 6.343 9.237 2 HA SER 1 HA SER 1 8.273 4.022 8.898 3 1HB SER 1 1HB SER 1 7.609 3.364 6.570 4 2HB SER 1 2HB SER 1 6.361 4.276 7.418 5 HG SER 1 HG SER 1 6.424 5.448 5.660 6 H TRP 2 H TRP 2 9.456 6.215 6.340 7 HA TRP 2 HA TRP 2 11.448 6.411 5.265 8 1HB TRP 2 1HB TRP 2 12.147 6.573 7.766 9 2HB TRP 2 2HB TRP 2 12.765 4.942 7.547 10 HD1 TRP 2 HD1 TRP 2 14.596 4.796 5.309 11 HE1 TRP 2 1HE TRP 2 16.536 6.423 4.831 12 HE3 TRP 2 3HE TRP 2 12.998 8.783 8.070 13 HZ2 TRP 2 2HZ TRP 2 17.292 9.035 5.550 14 HZ3 TRP 2 3HZ TRP 2 14.399 10.799 8.141 15 HH2 TRP 2 HH2 TRP 2 16.503 10.922 6.903 16 H MET 3 H MET 3 9.819 4.216 4.607 17 HA MET 3 HA MET 3 11.853 2.245 3.847 18 1HB MET 3 1HB MET 3 8.988 1.732 4.659 19 2HB MET 3 2HB MET 3 10.084 0.521 4.023 20 1HG MET 3 1HG MET 3 11.553 0.815 5.935 21 2HG MET 3 2HG MET 3 10.493 2.073 6.563 22 1HE MET 3 1HE MET 3 10.797 0.825 8.670 23 2HE MET 3 2HE MET 3 9.735 -0.474 9.203 24 3HE MET 3 3HE MET 3 11.243 -0.855 8.369 25 H SER 4 H SER 4 12.019 1.908 1.728 26 HA SER 4 HA SER 4 10.150 3.191 -0.076 27 1HB SER 4 1HB SER 4 12.588 1.509 -0.704 28 2HB SER 4 2HB SER 4 11.706 2.529 -1.840 29 HG SER 4 HG SER 4 12.514 3.866 0.419 30 H THR 5 H THR 5 9.168 1.950 -1.892 31 HA THR 5 HA THR 5 8.168 -0.571 -0.865 32 HB THR 5 HB THR 5 6.586 -0.300 -2.869 33 HG1 THR 5 1HG THR 5 7.353 1.230 -4.109 34 1HG2 THR 5 1HG2 THR 5 5.219 1.409 -1.726 35 2HG2 THR 5 2HG2 THR 5 5.766 0.106 -0.670 36 3HG2 THR 5 3HG2 THR 5 6.560 1.681 -0.615 37 H VAL 6 H VAL 6 7.654 -2.247 -2.344 38 HA VAL 6 HA VAL 6 9.548 -2.706 -4.520 39 HB VAL 6 HB VAL 6 10.494 -4.292 -3.213 40 1HG1 VAL 6 1HG1 VAL 6 8.807 -3.262 -1.316 41 2HG1 VAL 6 2HG1 VAL 6 8.440 -4.986 -1.293 42 3HG1 VAL 6 3HG1 VAL 6 10.094 -4.430 -1.026 43 1HG2 VAL 6 1HG2 VAL 6 8.519 -5.539 -4.561 44 2HG2 VAL 6 2HG2 VAL 6 9.740 -6.367 -3.593 45 3HG2 VAL 6 3HG2 VAL 6 8.159 -6.018 -2.900 46 H GLY 7 H GLY 7 8.421 -4.434 -6.051 47 1HA GLY 7 1HA GLY 7 6.433 -5.070 -7.150 48 2HA GLY 7 2HA GLY 7 5.655 -4.919 -5.602 49 H GLY 8 H GLY 8 3.806 -3.944 -6.395 50 1HA GLY 8 1HA GLY 8 2.453 -2.244 -7.148 51 2HA GLY 8 2HA GLY 8 3.554 -1.241 -6.228 52 H ASN 9 H ASN 9 3.638 0.544 -7.493 53 HA ASN 9 HA ASN 9 5.143 0.324 -9.941 54 1HB ASN 9 1HB ASN 9 3.505 1.487 -11.363 55 2HB ASN 9 2HB ASN 9 2.919 -0.074 -10.826 56 1HD2 ASN 9 1HD2 ASN 9 1.074 2.465 -8.438 57 2HD2 ASN 9 2HD2 ASN 9 2.690 1.892 -8.250 58 H SER 10 H SER 10 5.042 1.706 -7.184 59 HA SER 10 HA SER 10 4.975 4.506 -7.773 60 1HB SER 10 1HB SER 10 6.172 4.455 -5.408 61 2HB SER 10 2HB SER 10 4.448 4.140 -5.543 62 HG SER 10 HG SER 10 5.723 2.583 -4.279 63 H GLY 11 H GLY 11 7.450 2.043 -7.386 64 1HA GLY 11 1HA GLY 11 9.540 2.124 -8.515 65 2HA GLY 11 2HA GLY 11 9.388 3.875 -8.605 66 H GLY 12 H GLY 12 8.561 2.510 -5.606 67 1HA GLY 12 1HA GLY 12 10.043 2.009 -3.773 68 2HA GLY 12 2HA GLY 12 11.262 3.010 -4.553 69 H ALA 13 H ALA 13 7.841 3.640 -3.822 70 HA ALA 13 HA ALA 13 8.674 6.119 -2.493 71 1HB ALA 13 1HB ALA 13 6.036 5.263 -3.664 72 2HB ALA 13 2HB ALA 13 6.247 6.730 -2.711 73 3HB ALA 13 3HB ALA 13 7.113 6.535 -4.240 74 HA PRO 14 HA PRO 14 7.818 4.479 1.514 75 1HB PRO 14 1HB PRO 14 6.858 7.197 2.185 76 2HB PRO 14 2HB PRO 14 8.155 6.252 2.919 77 1HG PRO 14 1HG PRO 14 8.681 8.351 1.332 78 2HG PRO 14 2HG PRO 14 9.713 6.909 1.341 79 1HD PRO 14 1HD PRO 14 7.666 7.761 -0.663 80 2HD PRO 14 2HD PRO 14 9.226 6.948 -0.909 81 H CYS 15 H CYS 15 6.091 3.492 2.438 82 HA CYS 15 HA CYS 15 3.496 3.771 1.299 83 1HB CYS 15 1HB CYS 15 4.028 2.531 4.007 84 2HB CYS 15 2HB CYS 15 2.770 2.119 2.853 85 H VAL 16 H VAL 16 1.889 5.180 1.872 86 HA VAL 16 HA VAL 16 2.388 6.941 4.159 87 HB VAL 16 HB VAL 16 0.322 7.169 1.959 88 1HG1 VAL 16 1HG1 VAL 16 1.043 9.069 4.186 89 2HG1 VAL 16 2HG1 VAL 16 0.029 9.484 2.802 90 3HG1 VAL 16 3HG1 VAL 16 -0.495 8.247 3.946 91 1HG2 VAL 16 1HG2 VAL 16 2.648 7.456 1.193 92 2HG2 VAL 16 2HG2 VAL 16 1.707 8.943 1.071 93 3HG2 VAL 16 3HG2 VAL 16 2.864 8.740 2.387 94 H PHE 17 H PHE 17 1.553 6.327 6.047 95 HA PHE 17 HA PHE 17 -1.021 4.927 6.057 96 1HB PHE 17 1HB PHE 17 1.261 4.899 8.035 97 2HB PHE 17 2HB PHE 17 -0.308 4.181 8.349 98 HD1 PHE 17 1HD PHE 17 -1.120 2.437 6.532 99 HD2 PHE 17 2HD PHE 17 2.910 3.613 7.186 100 HE1 PHE 17 1HE PHE 17 -0.336 0.364 5.461 101 HE2 PHE 17 2HE PHE 17 3.712 1.552 6.127 102 HZ PHE 17 HZ PHE 17 2.094 -0.102 5.242 103 HA PRO 18 HA PRO 18 -2.542 4.458 7.270 104 1HB PRO 18 1HB PRO 18 -5.149 5.577 7.565 105 2HB PRO 18 2HB PRO 18 -4.290 4.535 8.704 106 1HG PRO 18 1HG PRO 18 -4.943 7.196 9.143 107 2HG PRO 18 2HG PRO 18 -3.697 6.293 10.019 108 1HD PRO 18 1HD PRO 18 -3.406 8.219 7.754 109 2HD PRO 18 2HD PRO 18 -2.354 7.964 9.165 110 H PHE 19 H PHE 19 -3.083 3.735 5.258 111 HA PHE 19 HA PHE 19 -4.001 5.781 3.349 112 1HB PHE 19 1HB PHE 19 -3.196 4.407 1.549 113 2HB PHE 19 2HB PHE 19 -1.906 4.581 2.728 114 HD1 PHE 19 1HD PHE 19 -1.257 2.663 4.134 115 HD2 PHE 19 2HD PHE 19 -4.136 2.284 1.026 116 HE1 PHE 19 1HE PHE 19 -0.980 0.224 4.177 117 HE2 PHE 19 2HE PHE 19 -3.858 -0.162 1.063 118 HZ PHE 19 HZ PHE 19 -2.288 -1.195 2.641 119 H THR 20 H THR 20 -5.972 5.603 2.382 120 HA THR 20 HA THR 20 -7.585 3.352 3.335 121 HB THR 20 HB THR 20 -8.369 5.978 2.038 122 HG1 THR 20 1HG THR 20 -7.763 6.269 4.158 123 1HG2 THR 20 1HG2 THR 20 -10.637 5.093 3.173 124 2HG2 THR 20 2HG2 THR 20 -10.249 4.904 1.465 125 3HG2 THR 20 3HG2 THR 20 -9.956 3.574 2.589 126 H PHE 21 H PHE 21 -7.996 1.708 2.127 127 HA PHE 21 HA PHE 21 -7.830 1.968 -0.811 128 1HB PHE 21 1HB PHE 21 -6.147 0.402 0.318 129 2HB PHE 21 2HB PHE 21 -7.519 -0.559 0.811 130 HD1 PHE 21 1HD PHE 21 -6.279 0.955 -2.380 131 HD2 PHE 21 2HD PHE 21 -7.991 -2.410 -0.434 132 HE1 PHE 21 1HE PHE 21 -6.102 -0.330 -4.452 133 HE2 PHE 21 2HE PHE 21 -7.811 -3.702 -2.495 134 HZ PHE 21 HZ PHE 21 -6.852 -2.677 -4.525 135 H LEU 22 H LEU 22 -9.598 1.489 -1.875 136 HA LEU 22 HA LEU 22 -11.766 1.102 -2.320 137 1HB LEU 22 1HB LEU 22 -10.470 -1.237 -1.096 138 2HB LEU 22 2HB LEU 22 -12.140 -1.398 -1.590 139 HG LEU 22 HG LEU 22 -11.480 -0.933 -3.856 140 1HD1 LEU 22 1HD1 LEU 22 -8.832 -0.399 -2.782 141 2HD1 LEU 22 2HD1 LEU 22 -9.134 -0.757 -4.479 142 3HD1 LEU 22 3HD1 LEU 22 -9.884 0.656 -3.732 143 1HD2 LEU 22 1HD2 LEU 22 -10.041 -3.063 -2.431 144 2HD2 LEU 22 2HD2 LEU 22 -11.402 -3.201 -3.545 145 3HD2 LEU 22 3HD2 LEU 22 -9.788 -2.844 -4.162 146 H GLY 23 H GLY 23 -11.490 2.534 0.222 147 1HA GLY 23 1HA GLY 23 -13.431 3.287 1.416 148 2HA GLY 23 2HA GLY 23 -14.032 1.644 1.405 149 H ASN 24 H ASN 24 -11.053 0.903 2.342 150 HA ASN 24 HA ASN 24 -11.742 1.440 5.159 151 1HB ASN 24 1HB ASN 24 -10.038 -0.764 3.985 152 2HB ASN 24 2HB ASN 24 -10.463 -0.583 5.675 153 1HD2 ASN 24 1HD2 ASN 24 -12.858 -2.527 3.175 154 2HD2 ASN 24 2HD2 ASN 24 -11.254 -2.021 2.798 155 H LYS 25 H LYS 25 -10.157 2.108 6.638 156 HA LYS 25 HA LYS 25 -7.886 3.469 5.497 157 1HB LYS 25 1HB LYS 25 -8.911 3.207 8.329 158 2HB LYS 25 2HB LYS 25 -7.621 4.249 7.801 159 1HG LYS 25 1HG LYS 25 -9.125 5.580 6.493 160 2HG LYS 25 2HG LYS 25 -10.446 4.455 6.827 161 1HD LYS 25 1HD LYS 25 -10.662 6.383 8.254 162 2HD LYS 25 2HD LYS 25 -10.227 4.978 9.233 163 1HE LYS 25 1HE LYS 25 -7.850 5.729 9.121 164 2HE LYS 25 2HE LYS 25 -8.397 7.199 8.314 165 1HZ LYS 25 1HZ LYS 25 -9.947 7.289 10.432 166 2HZ LYS 25 2HZ LYS 25 -8.684 6.381 11.111 167 3HZ LYS 25 3HZ LYS 25 -8.366 7.918 10.451 168 H TYR 26 H TYR 26 -5.930 2.459 5.362 169 HA TYR 26 HA TYR 26 -5.529 0.099 7.049 170 1HB TYR 26 1HB TYR 26 -4.167 0.865 4.464 171 2HB TYR 26 2HB TYR 26 -3.848 -0.588 5.398 172 HD1 TYR 26 1HD TYR 26 -6.589 1.194 3.630 173 HD2 TYR 26 2HD TYR 26 -5.046 -2.518 4.974 174 HE1 TYR 26 1HE TYR 26 -8.374 0.031 2.430 175 HE2 TYR 26 2HE TYR 26 -6.817 -3.700 3.766 176 HH TYR 26 HH TYR 26 -8.494 -2.648 1.432 177 H GLU 27 H GLU 27 -4.330 0.351 8.678 178 HA GLU 27 HA GLU 27 -2.441 2.554 8.908 179 1HB GLU 27 1HB GLU 27 -3.475 0.537 10.894 180 2HB GLU 27 2HB GLU 27 -2.432 1.886 11.278 181 1HG GLU 27 1HG GLU 27 -4.093 3.437 11.004 182 2HG GLU 27 2HG GLU 27 -5.007 2.412 9.899 183 H SER 28 H SER 28 -2.545 -0.743 8.246 184 HA SER 28 HA SER 28 0.366 -0.932 8.451 185 1HB SER 28 1HB SER 28 -0.145 -3.442 8.853 186 2HB SER 28 2HB SER 28 -0.344 -2.338 10.212 187 HG SER 28 HG SER 28 -2.177 -3.924 9.021 188 H CYS 29 H CYS 29 0.887 -3.152 7.042 189 HA CYS 29 HA CYS 29 0.139 -2.435 4.406 190 1HB CYS 29 1HB CYS 29 1.392 -5.006 5.384 191 2HB CYS 29 2HB CYS 29 1.285 -4.494 3.713 192 H THR 30 H THR 30 -0.855 -4.006 2.897 193 HA THR 30 HA THR 30 -2.946 -5.644 4.139 194 HB THR 30 HB THR 30 -3.962 -3.412 3.666 195 HG1 THR 30 1HG THR 30 -5.415 -5.012 3.456 196 1HG2 THR 30 1HG2 THR 30 -4.292 -3.348 0.943 197 2HG2 THR 30 2HG2 THR 30 -3.228 -2.300 1.881 198 3HG2 THR 30 3HG2 THR 30 -2.587 -3.758 1.125 199 H SER 31 H SER 31 -4.093 -6.922 2.468 200 HA SER 31 HA SER 31 -2.358 -7.571 0.195 201 1HB SER 31 1HB SER 31 -3.243 -9.955 0.473 202 2HB SER 31 2HB SER 31 -2.091 -9.408 1.695 203 HG SER 31 HG SER 31 -4.093 -10.517 2.428 204 H ALA 32 H ALA 32 -4.679 -5.836 0.812 205 HA ALA 32 HA ALA 32 -7.065 -6.755 -0.325 206 1HB ALA 32 1HB ALA 32 -6.593 -4.641 1.095 207 2HB ALA 32 2HB ALA 32 -6.165 -3.885 -0.438 208 3HB ALA 32 3HB ALA 32 -7.792 -4.516 -0.196 209 H GLY 33 H GLY 33 -7.883 -6.736 -2.349 210 1HA GLY 33 1HA GLY 33 -7.951 -6.448 -4.639 211 2HA GLY 33 2HA GLY 33 -6.568 -5.372 -4.504 212 H ARG 34 H ARG 34 -5.610 -8.067 -2.908 213 HA ARG 34 HA ARG 34 -4.503 -9.245 -5.361 214 1HB ARG 34 1HB ARG 34 -3.245 -9.323 -2.622 215 2HB ARG 34 2HB ARG 34 -2.534 -9.812 -4.140 216 1HG ARG 34 1HG ARG 34 -2.919 -7.307 -4.782 217 2HG ARG 34 2HG ARG 34 -2.941 -7.085 -3.038 218 1HD ARG 34 1HD ARG 34 -0.698 -6.764 -3.963 219 2HD ARG 34 2HD ARG 34 -0.753 -8.134 -2.854 220 HE ARG 34 HE ARG 34 -0.157 -9.498 -4.573 221 1HH1 ARG 34 1HH1 ARG 34 -1.475 -6.553 -5.926 222 2HH1 ARG 34 2HH1 ARG 34 -1.072 -6.958 -7.566 223 1HH2 ARG 34 1HH2 ARG 34 0.359 -10.059 -6.725 224 2HH2 ARG 34 2HH2 ARG 34 -0.001 -8.950 -8.007 225 H SER 35 H SER 35 -4.582 -11.427 -5.617 226 HA SER 35 HA SER 35 -5.905 -12.961 -3.478 227 1HB SER 35 1HB SER 35 -6.259 -13.213 -6.473 228 2HB SER 35 2HB SER 35 -6.877 -14.387 -5.306 229 HG SER 35 HG SER 35 -7.576 -11.641 -5.554 230 H ASP 36 H ASP 36 -3.055 -12.486 -4.210 231 HA ASP 36 HA ASP 36 -2.206 -15.216 -4.820 232 1HB ASP 36 1HB ASP 36 0.102 -13.929 -4.894 233 2HB ASP 36 2HB ASP 36 -0.988 -13.937 -6.268 234 H GLY 37 H GLY 37 -0.597 -12.727 -2.980 235 1HA GLY 37 1HA GLY 37 -1.005 -13.704 -0.424 236 2HA GLY 37 2HA GLY 37 0.412 -14.532 -1.047 237 H LYS 38 H LYS 38 1.180 -12.142 -2.663 238 HA LYS 38 HA LYS 38 2.921 -10.944 -0.837 239 1HB LYS 38 1HB LYS 38 1.992 -9.898 -3.518 240 2HB LYS 38 2HB LYS 38 3.446 -9.415 -2.670 241 1HG LYS 38 1HG LYS 38 4.106 -10.873 -4.371 242 2HG LYS 38 2HG LYS 38 4.261 -11.770 -2.877 243 1HD LYS 38 1HD LYS 38 2.283 -13.026 -3.350 244 2HD LYS 38 2HD LYS 38 1.886 -11.981 -4.719 245 1HE LYS 38 1HE LYS 38 4.340 -13.726 -4.521 246 2HE LYS 38 2HE LYS 38 2.869 -14.163 -5.386 247 1HZ LYS 38 1HZ LYS 38 3.213 -12.098 -6.737 248 2HZ LYS 38 2HZ LYS 38 4.742 -11.940 -6.012 249 3HZ LYS 38 3HZ LYS 38 4.395 -13.297 -6.966 250 H MET 39 H MET 39 2.497 -9.440 0.703 251 HA MET 39 HA MET 39 0.034 -7.914 0.514 252 1HB MET 39 1HB MET 39 2.141 -7.912 2.683 253 2HB MET 39 2HB MET 39 0.542 -7.191 2.771 254 1HG MET 39 1HG MET 39 -0.475 -9.403 2.610 255 2HG MET 39 2HG MET 39 1.134 -10.128 2.516 256 1HE MET 39 1HE MET 39 -0.186 -11.519 4.125 257 2HE MET 39 2HE MET 39 0.395 -11.471 5.791 258 3HE MET 39 3HE MET 39 -1.172 -10.772 5.387 259 H TRP 40 H TRP 40 -0.001 -5.612 0.516 260 HA TRP 40 HA TRP 40 2.549 -4.336 -0.211 261 1HB TRP 40 1HB TRP 40 1.314 -3.012 -1.921 262 2HB TRP 40 2HB TRP 40 1.372 -4.733 -2.293 263 HD1 TRP 40 HD1 TRP 40 -1.040 -6.102 -1.522 264 HE1 TRP 40 1HE TRP 40 -3.454 -5.262 -1.756 265 HE3 TRP 40 3HE TRP 40 -0.127 -1.100 -2.036 266 HZ2 TRP 40 2HZ TRP 40 -4.791 -2.820 -2.079 267 HZ3 TRP 40 3HZ TRP 40 -2.035 0.417 -2.274 268 HH2 TRP 40 HH2 TRP 40 -4.321 -0.425 -2.305 269 H CYS 41 H CYS 41 1.627 -1.811 -0.657 270 HA CYS 41 HA CYS 41 0.016 -0.840 1.543 271 1HB CYS 41 1HB CYS 41 1.800 0.612 2.449 272 2HB CYS 41 2HB CYS 41 2.248 -1.086 2.619 273 H ALA 42 H ALA 42 -0.633 1.389 1.122 274 HA ALA 42 HA ALA 42 -0.221 2.122 -1.663 275 1HB ALA 42 1HB ALA 42 -2.467 2.341 -0.682 276 2HB ALA 42 2HB ALA 42 -1.843 3.550 0.441 277 3HB ALA 42 3HB ALA 42 -1.848 3.878 -1.292 278 H THR 43 H THR 43 0.714 4.084 -2.319 279 HA THR 43 HA THR 43 2.638 5.112 -0.370 280 HB THR 43 HB THR 43 3.901 5.841 -2.355 281 HG1 THR 43 1HG THR 43 2.653 6.171 -4.032 282 1HG2 THR 43 1HG2 THR 43 4.012 3.449 -3.442 283 2HG2 THR 43 2HG2 THR 43 4.626 3.742 -1.813 284 3HG2 THR 43 3HG2 THR 43 3.033 3.019 -2.039 285 H THR 44 H THR 44 -0.295 5.825 -1.012 286 HA THR 44 HA THR 44 0.098 8.717 -0.828 287 HB THR 44 HB THR 44 -1.909 9.069 -2.262 288 HG1 THR 44 1HG THR 44 -3.072 7.424 -2.806 289 1HG2 THR 44 1HG2 THR 44 -0.176 7.406 -3.990 290 2HG2 THR 44 2HG2 THR 44 -0.837 9.020 -4.255 291 3HG2 THR 44 3HG2 THR 44 0.551 8.797 -3.189 292 H ALA 45 H ALA 45 -1.629 9.786 0.350 293 HA ALA 45 HA ALA 45 -2.504 8.362 2.598 294 1HB ALA 45 1HB ALA 45 -3.191 11.035 1.460 295 2HB ALA 45 2HB ALA 45 -4.116 10.395 2.821 296 3HB ALA 45 3HB ALA 45 -2.374 10.630 2.971 297 H ASN 46 H ASN 46 -4.285 9.356 -0.289 298 HA ASN 46 HA ASN 46 -6.366 7.431 0.469 299 1HB ASN 46 1HB ASN 46 -7.170 9.782 0.384 300 2HB ASN 46 2HB ASN 46 -6.676 9.869 -1.306 301 1HD2 ASN 46 1HD2 ASN 46 -10.188 8.316 -0.249 302 2HD2 ASN 46 2HD2 ASN 46 -9.095 9.049 0.867 303 H TYR 47 H TYR 47 -5.977 5.635 -0.606 304 HA TYR 47 HA TYR 47 -4.547 5.581 -3.069 305 1HB TYR 47 1HB TYR 47 -4.443 3.773 -1.364 306 2HB TYR 47 2HB TYR 47 -6.099 3.339 -1.764 307 HD1 TYR 47 1HD TYR 47 -6.580 2.564 -4.170 308 HD2 TYR 47 2HD TYR 47 -2.657 2.951 -2.587 309 HE1 TYR 47 1HE TYR 47 -5.712 1.105 -5.953 310 HE2 TYR 47 2HE TYR 47 -1.787 1.500 -4.354 311 HH TYR 47 HH TYR 47 -3.275 -0.506 -5.999 312 H ASP 48 H ASP 48 -7.947 5.368 -2.181 313 HA ASP 48 HA ASP 48 -9.099 4.407 -4.467 314 1HB ASP 48 1HB ASP 48 -10.021 6.492 -2.519 315 2HB ASP 48 2HB ASP 48 -11.000 6.082 -3.921 316 H ASP 49 H ASP 49 -7.767 7.619 -3.983 317 HA ASP 49 HA ASP 49 -8.744 8.523 -6.558 318 1HB ASP 49 1HB ASP 49 -7.202 9.866 -4.350 319 2HB ASP 49 2HB ASP 49 -7.496 10.641 -5.898 320 H ASP 50 H ASP 50 -5.526 8.576 -5.025 321 HA ASP 50 HA ASP 50 -4.145 8.981 -7.455 322 1HB ASP 50 1HB ASP 50 -3.293 8.264 -4.675 323 2HB ASP 50 2HB ASP 50 -2.125 8.304 -5.991 324 H ARG 51 H ARG 51 -4.882 6.043 -5.680 325 HA ARG 51 HA ARG 51 -4.442 3.878 -6.024 326 1HB ARG 51 1HB ARG 51 -4.735 4.688 -8.901 327 2HB ARG 51 2HB ARG 51 -4.966 3.069 -8.240 328 1HG ARG 51 1HG ARG 51 -6.521 4.632 -6.627 329 2HG ARG 51 2HG ARG 51 -6.763 5.356 -8.220 330 1HD ARG 51 1HD ARG 51 -7.004 2.420 -7.680 331 2HD ARG 51 2HD ARG 51 -8.356 3.540 -7.512 332 HE ARG 51 HE ARG 51 -7.141 3.801 -10.064 333 1HH1 ARG 51 1HH1 ARG 51 -9.271 1.773 -8.179 334 2HH1 ARG 51 2HH1 ARG 51 -10.090 1.118 -9.565 335 1HH2 ARG 51 1HH2 ARG 51 -8.227 2.955 -11.901 336 2HH2 ARG 51 2HH2 ARG 51 -9.523 1.814 -11.677 337 H LYS 52 H LYS 52 -2.150 5.132 -5.478 338 HA LYS 52 HA LYS 52 -0.215 3.845 -7.264 339 1HB LYS 52 1HB LYS 52 0.088 6.249 -5.455 340 2HB LYS 52 2HB LYS 52 1.451 5.445 -6.232 341 1HG LYS 52 1HG LYS 52 0.979 6.308 -8.257 342 2HG LYS 52 2HG LYS 52 -0.763 6.183 -8.022 343 1HD LYS 52 1HD LYS 52 -0.605 8.148 -6.470 344 2HD LYS 52 2HD LYS 52 1.077 8.334 -6.983 345 1HE LYS 52 1HE LYS 52 0.410 8.704 -9.254 346 2HE LYS 52 2HE LYS 52 -1.261 8.288 -8.886 347 1HZ LYS 52 1HZ LYS 52 -1.277 10.261 -7.369 348 2HZ LYS 52 2HZ LYS 52 0.237 10.701 -8.025 349 3HZ LYS 52 3HZ LYS 52 -1.143 10.616 -9.017 350 H TRP 53 H TRP 53 0.622 2.072 -6.481 351 HA TRP 53 HA TRP 53 0.734 1.717 -3.565 352 1HB TRP 53 1HB TRP 53 -0.109 -0.512 -3.848 353 2HB TRP 53 2HB TRP 53 -1.200 0.619 -4.555 354 HD1 TRP 53 HD1 TRP 53 -0.647 0.867 -7.475 355 HE1 TRP 53 1HE TRP 53 -0.362 -1.155 -9.062 356 HE3 TRP 53 3HE TRP 53 0.416 -2.586 -3.999 357 HZ2 TRP 53 2HZ TRP 53 0.253 -3.921 -8.806 358 HZ3 TRP 53 3HZ TRP 53 0.847 -4.932 -4.695 359 HH2 TRP 53 HH2 TRP 53 0.764 -5.573 -7.058 360 H GLY 54 H GLY 54 1.878 -0.283 -2.962 361 1HA GLY 54 1HA GLY 54 3.990 -1.312 -4.585 362 2HA GLY 54 2HA GLY 54 4.582 -0.155 -3.395 363 H PHE 55 H PHE 55 4.871 -3.129 -3.660 364 HA PHE 55 HA PHE 55 3.432 -4.519 -1.744 365 1HB PHE 55 1HB PHE 55 6.205 -4.868 -2.855 366 2HB PHE 55 2HB PHE 55 5.513 -5.991 -1.700 367 HD1 PHE 55 1HD PHE 55 2.760 -4.987 -3.441 368 HD2 PHE 55 2HD PHE 55 6.334 -7.220 -4.037 369 HE1 PHE 55 1HE PHE 55 1.668 -6.261 -5.240 370 HE2 PHE 55 2HE PHE 55 5.244 -8.492 -5.836 371 HZ PHE 55 HZ PHE 55 2.914 -8.009 -6.446 372 H CYS 56 H CYS 56 4.024 -5.266 0.326 373 HA CYS 56 HA CYS 56 4.893 -3.220 2.095 374 1HB CYS 56 1HB CYS 56 3.190 -5.054 2.558 375 2HB CYS 56 2HB CYS 56 4.547 -6.161 2.711 376 HA PRO 57 HA PRO 57 9.258 -4.064 2.153 377 1HB PRO 57 1HB PRO 57 9.977 -2.920 4.437 378 2HB PRO 57 2HB PRO 57 9.362 -1.946 3.090 379 1HG PRO 57 1HG PRO 57 7.853 -3.089 5.398 380 2HG PRO 57 2HG PRO 57 7.932 -1.380 4.913 381 1HD PRO 57 1HD PRO 57 5.876 -2.891 4.156 382 2HD PRO 57 2HD PRO 57 6.628 -1.776 2.989 383 H ASP 58 H ASP 58 10.637 -4.369 4.636 384 HA ASP 58 HA ASP 58 10.601 -7.167 4.904 385 1HB ASP 58 1HB ASP 58 12.573 -5.831 5.479 386 2HB ASP 58 2HB ASP 58 11.694 -5.104 6.821 387 H GLN 59 H GLN 59 9.082 -8.377 5.802 388 HA GLN 59 HA GLN 59 7.368 -7.212 7.868 389 1HB GLN 59 1HB GLN 59 7.046 -9.765 6.282 390 2HB GLN 59 2HB GLN 59 5.878 -9.128 7.426 391 1HG GLN 59 1HG GLN 59 5.626 -7.131 6.018 392 2HG GLN 59 2HG GLN 59 6.754 -7.833 4.860 393 1HE2 GLN 59 1HE2 GLN 59 2.918 -8.633 4.528 394 2HE2 GLN 59 2HE2 GLN 59 3.605 -7.317 5.415 395 H GLY 60 H GLY 60 10.121 -8.100 8.413 396 1HA GLY 60 1HA GLY 60 9.882 -10.567 9.900 397 2HA GLY 60 2HA GLY 60 11.299 -9.531 9.815 Start of MODEL 2 1 H SER 1 1H SER 1 18.315 4.108 6.434 2 HA SER 1 HA SER 1 17.953 5.624 4.443 3 1HB SER 1 1HB SER 1 17.629 3.563 3.051 4 2HB SER 1 2HB SER 1 18.861 3.382 4.300 5 HG SER 1 HG SER 1 17.165 1.654 4.001 6 H TRP 2 H TRP 2 16.329 5.017 2.427 7 HA TRP 2 HA TRP 2 13.766 6.050 3.320 8 1HB TRP 2 1HB TRP 2 15.250 6.558 1.089 9 2HB TRP 2 2HB TRP 2 14.103 5.376 0.463 10 HD1 TRP 2 HD1 TRP 2 11.400 6.139 1.561 11 HE1 TRP 2 1HE TRP 2 10.323 8.448 1.165 12 HE3 TRP 2 3HE TRP 2 15.605 8.820 0.444 13 HZ2 TRP 2 2HZ TRP 2 11.152 11.050 0.459 14 HZ3 TRP 2 3HZ TRP 2 15.375 11.206 -0.084 15 HH2 TRP 2 HH2 TRP 2 13.189 12.299 -0.076 16 H MET 3 H MET 3 11.938 4.871 3.502 17 HA MET 3 HA MET 3 12.105 2.026 3.096 18 1HB MET 3 1HB MET 3 9.759 2.044 4.021 19 2HB MET 3 2HB MET 3 11.008 2.640 5.097 20 1HG MET 3 1HG MET 3 10.307 4.886 4.801 21 2HG MET 3 2HG MET 3 9.269 4.458 3.442 22 1HE MET 3 1HE MET 3 10.198 3.459 6.860 23 2HE MET 3 2HE MET 3 8.844 4.011 7.847 24 3HE MET 3 3HE MET 3 8.874 2.357 7.234 25 H SER 4 H SER 4 12.404 2.298 0.756 26 HA SER 4 HA SER 4 10.233 3.160 -0.881 27 1HB SER 4 1HB SER 4 12.587 1.400 -1.619 28 2HB SER 4 2HB SER 4 11.548 2.275 -2.740 29 HG SER 4 HG SER 4 12.349 4.210 -1.958 30 H THR 5 H THR 5 9.096 1.736 -2.420 31 HA THR 5 HA THR 5 8.264 -0.714 -1.072 32 HB THR 5 HB THR 5 6.326 -0.519 -2.721 33 HG1 THR 5 1HG THR 5 7.058 2.185 -2.935 34 1HG2 THR 5 1HG2 THR 5 5.135 1.141 -1.476 35 2HG2 THR 5 2HG2 THR 5 6.080 0.134 -0.379 36 3HG2 THR 5 3HG2 THR 5 6.638 1.758 -0.793 37 H VAL 6 H VAL 6 7.389 -2.387 -2.595 38 HA VAL 6 HA VAL 6 9.280 -2.895 -4.817 39 HB VAL 6 HB VAL 6 7.780 -5.219 -3.922 40 1HG1 VAL 6 1HG1 VAL 6 10.170 -4.708 -5.183 41 2HG1 VAL 6 2HG1 VAL 6 10.663 -5.357 -3.621 42 3HG1 VAL 6 3HG1 VAL 6 9.581 -6.287 -4.660 43 1HG2 VAL 6 1HG2 VAL 6 9.001 -3.601 -1.833 44 2HG2 VAL 6 2HG2 VAL 6 7.861 -4.942 -1.717 45 3HG2 VAL 6 3HG2 VAL 6 9.589 -5.265 -1.866 46 H GLY 7 H GLY 7 7.854 -4.876 -6.033 47 1HA GLY 7 1HA GLY 7 6.246 -4.988 -7.719 48 2HA GLY 7 2HA GLY 7 5.192 -4.870 -6.342 49 H GLY 8 H GLY 8 3.628 -3.558 -6.731 50 1HA GLY 8 1HA GLY 8 2.399 -1.810 -7.585 51 2HA GLY 8 2HA GLY 8 3.620 -0.902 -6.729 52 H ASN 9 H ASN 9 3.674 0.815 -7.985 53 HA ASN 9 HA ASN 9 5.064 0.532 -10.505 54 1HB ASN 9 1HB ASN 9 3.525 2.087 -11.694 55 2HB ASN 9 2HB ASN 9 2.824 0.522 -11.344 56 1HD2 ASN 9 1HD2 ASN 9 1.266 2.804 -8.552 57 2HD2 ASN 9 2HD2 ASN 9 2.852 2.118 -8.522 58 H SER 10 H SER 10 4.935 1.816 -7.610 59 HA SER 10 HA SER 10 5.798 4.506 -8.303 60 1HB SER 10 1HB SER 10 5.584 3.293 -5.544 61 2HB SER 10 2HB SER 10 5.554 4.994 -5.986 62 HG SER 10 HG SER 10 3.448 4.016 -5.525 63 H GLY 11 H GLY 11 6.948 1.796 -6.275 64 1HA GLY 11 1HA GLY 11 9.057 0.881 -6.113 65 2HA GLY 11 2HA GLY 11 9.603 1.985 -7.367 66 H GLY 12 H GLY 12 10.156 4.177 -6.734 67 1HA GLY 12 1HA GLY 12 11.723 4.201 -4.361 68 2HA GLY 12 2HA GLY 12 11.456 5.561 -5.441 69 H ALA 13 H ALA 13 8.440 5.063 -4.966 70 HA ALA 13 HA ALA 13 8.279 6.921 -2.763 71 1HB ALA 13 1HB ALA 13 6.826 6.961 -4.865 72 2HB ALA 13 2HB ALA 13 5.914 5.659 -4.101 73 3HB ALA 13 3HB ALA 13 6.034 7.231 -3.313 74 HA PRO 14 HA PRO 14 7.443 3.800 0.269 75 1HB PRO 14 1HB PRO 14 7.132 5.432 2.368 76 2HB PRO 14 2HB PRO 14 8.706 5.229 1.588 77 1HG PRO 14 1HG PRO 14 6.787 7.498 1.426 78 2HG PRO 14 2HG PRO 14 8.556 7.511 1.337 79 1HD PRO 14 1HD PRO 14 6.741 7.615 -0.833 80 2HD PRO 14 2HD PRO 14 8.495 7.372 -0.932 81 H CYS 15 H CYS 15 5.753 3.312 1.957 82 HA CYS 15 HA CYS 15 3.136 3.715 0.834 83 1HB CYS 15 1HB CYS 15 3.536 2.645 3.607 84 2HB CYS 15 2HB CYS 15 2.379 2.147 2.381 85 H VAL 16 H VAL 16 1.496 5.040 1.647 86 HA VAL 16 HA VAL 16 2.322 6.938 3.742 87 HB VAL 16 HB VAL 16 0.180 7.261 1.624 88 1HG1 VAL 16 1HG1 VAL 16 -0.350 8.431 3.731 89 2HG1 VAL 16 2HG1 VAL 16 1.197 9.270 3.633 90 3HG1 VAL 16 3HG1 VAL 16 -0.032 9.547 2.399 91 1HG2 VAL 16 1HG2 VAL 16 2.826 7.418 1.193 92 2HG2 VAL 16 2HG2 VAL 16 1.645 8.428 0.355 93 3HG2 VAL 16 3HG2 VAL 16 2.516 9.064 1.751 94 H PHE 17 H PHE 17 1.582 6.282 5.669 95 HA PHE 17 HA PHE 17 -1.094 5.099 5.806 96 1HB PHE 17 1HB PHE 17 1.258 4.887 7.679 97 2HB PHE 17 2HB PHE 17 -0.332 4.235 8.018 98 HD1 PHE 17 1HD PHE 17 -1.248 2.762 5.874 99 HD2 PHE 17 2HD PHE 17 2.790 3.372 7.046 100 HE1 PHE 17 1HE PHE 17 -0.597 0.667 4.761 101 HE2 PHE 17 2HE PHE 17 3.456 1.290 5.939 102 HZ PHE 17 HZ PHE 17 1.763 -0.094 4.775 103 HA PRO 18 HA PRO 18 -2.524 4.636 7.064 104 1HB PRO 18 1HB PRO 18 -5.063 5.746 7.641 105 2HB PRO 18 2HB PRO 18 -4.093 4.715 8.690 106 1HG PRO 18 1HG PRO 18 -4.722 7.402 9.153 107 2HG PRO 18 2HG PRO 18 -3.466 6.468 9.980 108 1HD PRO 18 1HD PRO 18 -3.212 8.415 7.732 109 2HD PRO 18 2HD PRO 18 -2.094 8.076 9.074 110 H PHE 19 H PHE 19 -3.259 4.043 5.032 111 HA PHE 19 HA PHE 19 -4.271 6.267 3.386 112 1HB PHE 19 1HB PHE 19 -3.710 5.026 1.394 113 2HB PHE 19 2HB PHE 19 -2.297 5.139 2.422 114 HD1 PHE 19 1HD PHE 19 -1.542 3.117 3.677 115 HD2 PHE 19 2HD PHE 19 -4.591 2.975 0.723 116 HE1 PHE 19 1HE PHE 19 -1.188 0.694 3.435 117 HE2 PHE 19 2HE PHE 19 -4.246 0.555 0.471 118 HZ PHE 19 HZ PHE 19 -2.551 -0.590 1.823 119 H THR 20 H THR 20 -5.658 4.937 1.460 120 HA THR 20 HA THR 20 -7.584 3.252 2.844 121 HB THR 20 HB THR 20 -8.309 5.879 1.497 122 HG1 THR 20 1HG THR 20 -7.608 6.110 3.650 123 1HG2 THR 20 1HG2 THR 20 -10.615 5.372 2.338 124 2HG2 THR 20 2HG2 THR 20 -10.066 4.434 0.948 125 3HG2 THR 20 3HG2 THR 20 -10.074 3.705 2.556 126 H PHE 21 H PHE 21 -7.942 1.582 1.604 127 HA PHE 21 HA PHE 21 -7.672 1.890 -1.319 128 1HB PHE 21 1HB PHE 21 -6.164 0.185 -0.204 129 2HB PHE 21 2HB PHE 21 -7.617 -0.666 0.286 130 HD1 PHE 21 1HD PHE 21 -5.935 0.590 -2.802 131 HD2 PHE 21 2HD PHE 21 -8.533 -2.304 -1.075 132 HE1 PHE 21 1HE PHE 21 -5.898 -0.675 -4.899 133 HE2 PHE 21 2HE PHE 21 -8.491 -3.583 -3.169 134 HZ PHE 21 HZ PHE 21 -7.181 -2.773 -5.095 135 H LEU 22 H LEU 22 -9.377 1.519 -2.517 136 HA LEU 22 HA LEU 22 -11.573 1.430 -3.018 137 1HB LEU 22 1HB LEU 22 -10.391 -1.121 -2.165 138 2HB LEU 22 2HB LEU 22 -12.051 -1.113 -2.734 139 HG LEU 22 HG LEU 22 -10.362 -1.631 -4.489 140 1HD1 LEU 22 1HD1 LEU 22 -12.612 -0.577 -4.814 141 2HD1 LEU 22 2HD1 LEU 22 -11.737 0.946 -4.991 142 3HD1 LEU 22 3HD1 LEU 22 -11.439 -0.379 -6.118 143 1HD2 LEU 22 1HD2 LEU 22 -9.498 1.145 -3.870 144 2HD2 LEU 22 2HD2 LEU 22 -8.513 -0.301 -4.104 145 3HD2 LEU 22 3HD2 LEU 22 -9.306 0.462 -5.483 146 H GLY 23 H GLY 23 -11.512 2.613 -0.586 147 1HA GLY 23 1HA GLY 23 -13.363 3.271 0.723 148 2HA GLY 23 2HA GLY 23 -14.038 1.670 0.541 149 H ASN 24 H ASN 24 -10.993 0.839 1.504 150 HA ASN 24 HA ASN 24 -11.820 1.074 4.326 151 1HB ASN 24 1HB ASN 24 -10.056 -1.009 3.044 152 2HB ASN 24 2HB ASN 24 -10.643 -0.996 4.701 153 1HD2 ASN 24 1HD2 ASN 24 -12.809 -2.626 1.807 154 2HD2 ASN 24 2HD2 ASN 24 -11.167 -2.128 1.638 155 H LYS 25 H LYS 25 -10.461 1.969 5.788 156 HA LYS 25 HA LYS 25 -8.113 3.316 4.880 157 1HB LYS 25 1HB LYS 25 -9.250 2.951 7.655 158 2HB LYS 25 2HB LYS 25 -8.059 4.125 7.157 159 1HG LYS 25 1HG LYS 25 -9.679 5.239 5.737 160 2HG LYS 25 2HG LYS 25 -10.886 4.018 6.160 161 1HD LYS 25 1HD LYS 25 -11.298 5.959 7.486 162 2HD LYS 25 2HD LYS 25 -10.636 4.709 8.542 163 1HE LYS 25 1HE LYS 25 -8.413 5.766 8.351 164 2HE LYS 25 2HE LYS 25 -9.117 7.026 7.340 165 1HZ LYS 25 1HZ LYS 25 -10.699 7.069 9.535 166 2HZ LYS 25 2HZ LYS 25 -9.178 6.717 10.206 167 3HZ LYS 25 3HZ LYS 25 -9.386 8.110 9.260 168 H TYR 26 H TYR 26 -6.100 2.456 4.857 169 HA TYR 26 HA TYR 26 -5.628 0.082 6.515 170 1HB TYR 26 1HB TYR 26 -4.308 0.953 3.943 171 2HB TYR 26 2HB TYR 26 -3.858 -0.463 4.880 172 HD1 TYR 26 1HD TYR 26 -7.124 -0.624 5.444 173 HD2 TYR 26 2HD TYR 26 -4.508 -0.805 2.117 174 HE1 TYR 26 1HE TYR 26 -8.785 -1.932 4.221 175 HE2 TYR 26 2HE TYR 26 -6.151 -2.134 0.878 176 HH TYR 26 HH TYR 26 -8.511 -3.782 2.151 177 H GLU 27 H GLU 27 -4.437 0.376 8.167 178 HA GLU 27 HA GLU 27 -2.640 2.665 8.354 179 1HB GLU 27 1HB GLU 27 -3.702 0.730 10.403 180 2HB GLU 27 2HB GLU 27 -2.644 2.071 10.759 181 1HG GLU 27 1HG GLU 27 -4.314 3.656 10.081 182 2HG GLU 27 2HG GLU 27 -5.361 2.356 9.514 183 H SER 28 H SER 28 -2.625 -0.611 7.705 184 HA SER 28 HA SER 28 0.277 -0.768 8.081 185 1HB SER 28 1HB SER 28 -0.194 -3.245 8.560 186 2HB SER 28 2HB SER 28 -0.587 -2.116 9.852 187 HG SER 28 HG SER 28 -2.190 -3.861 8.729 188 H CYS 29 H CYS 29 0.820 -3.072 6.788 189 HA CYS 29 HA CYS 29 0.313 -2.446 4.081 190 1HB CYS 29 1HB CYS 29 1.376 -4.947 5.375 191 2HB CYS 29 2HB CYS 29 1.245 -4.745 3.641 192 H THR 30 H THR 30 -0.556 -4.202 2.594 193 HA THR 30 HA THR 30 -2.798 -5.680 3.688 194 HB THR 30 HB THR 30 -3.750 -3.395 3.215 195 HG1 THR 30 1HG THR 30 -5.220 -4.978 2.973 196 1HG2 THR 30 1HG2 THR 30 -3.507 -3.864 0.299 197 2HG2 THR 30 2HG2 THR 30 -3.655 -2.355 1.196 198 3HG2 THR 30 3HG2 THR 30 -2.106 -3.195 1.134 199 H SER 31 H SER 31 -3.954 -6.757 1.818 200 HA SER 31 HA SER 31 -2.183 -7.361 -0.419 201 1HB SER 31 1HB SER 31 -2.854 -9.787 -0.203 202 2HB SER 31 2HB SER 31 -1.786 -9.200 1.080 203 HG SER 31 HG SER 31 -3.272 -9.978 2.346 204 H ALA 32 H ALA 32 -4.459 -5.700 0.211 205 HA ALA 32 HA ALA 32 -6.896 -6.639 -0.750 206 1HB ALA 32 1HB ALA 32 -6.670 -4.564 0.535 207 2HB ALA 32 2HB ALA 32 -5.784 -3.825 -0.798 208 3HB ALA 32 3HB ALA 32 -7.483 -4.256 -1.000 209 H GLY 33 H GLY 33 -7.821 -6.771 -2.690 210 1HA GLY 33 1HA GLY 33 -8.067 -6.688 -4.975 211 2HA GLY 33 2HA GLY 33 -6.763 -5.506 -5.021 212 H ARG 34 H ARG 34 -5.497 -7.998 -3.333 213 HA ARG 34 HA ARG 34 -4.376 -9.203 -5.767 214 1HB ARG 34 1HB ARG 34 -3.133 -9.061 -3.018 215 2HB ARG 34 2HB ARG 34 -2.383 -9.658 -4.480 216 1HG ARG 34 1HG ARG 34 -2.934 -7.203 -5.315 217 2HG ARG 34 2HG ARG 34 -2.851 -6.884 -3.587 218 1HD ARG 34 1HD ARG 34 -0.691 -6.569 -4.721 219 2HD ARG 34 2HD ARG 34 -0.634 -7.814 -3.469 220 HE ARG 34 HE ARG 34 -0.173 -9.375 -5.077 221 1HH1 ARG 34 1HH1 ARG 34 -1.375 -6.482 -6.631 222 2HH1 ARG 34 2HH1 ARG 34 -1.073 -7.067 -8.239 223 1HH2 ARG 34 1HH2 ARG 34 0.217 -10.147 -7.173 224 2HH2 ARG 34 2HH2 ARG 34 -0.151 -9.154 -8.549 225 H SER 35 H SER 35 -4.287 -10.239 -2.399 226 HA SER 35 HA SER 35 -4.855 -12.155 -1.331 227 1HB SER 35 1HB SER 35 -6.770 -12.558 -3.643 228 2HB SER 35 2HB SER 35 -6.799 -13.434 -2.110 229 HG SER 35 HG SER 35 -7.499 -11.655 -1.085 230 H ASP 36 H ASP 36 -2.815 -12.028 -3.549 231 HA ASP 36 HA ASP 36 -2.743 -14.818 -4.390 232 1HB ASP 36 1HB ASP 36 -1.405 -14.146 -6.151 233 2HB ASP 36 2HB ASP 36 -2.378 -12.715 -5.897 234 H GLY 37 H GLY 37 -1.053 -12.442 -2.555 235 1HA GLY 37 1HA GLY 37 0.003 -13.765 -0.536 236 2HA GLY 37 2HA GLY 37 1.069 -14.317 -1.823 237 H LYS 38 H LYS 38 1.254 -11.979 -3.311 238 HA LYS 38 HA LYS 38 3.291 -10.595 -1.936 239 1HB LYS 38 1HB LYS 38 1.757 -9.698 -4.385 240 2HB LYS 38 2HB LYS 38 3.345 -9.148 -3.882 241 1HG LYS 38 1HG LYS 38 4.349 -11.166 -4.415 242 2HG LYS 38 2HG LYS 38 2.810 -12.015 -4.528 243 1HD LYS 38 1HD LYS 38 2.267 -10.526 -6.485 244 2HD LYS 38 2HD LYS 38 3.934 -9.949 -6.416 245 1HE LYS 38 1HE LYS 38 3.733 -11.702 -8.073 246 2HE LYS 38 2HE LYS 38 4.727 -12.252 -6.724 247 1HZ LYS 38 1HZ LYS 38 2.035 -12.908 -6.204 248 2HZ LYS 38 2HZ LYS 38 2.439 -13.452 -7.767 249 3HZ LYS 38 3HZ LYS 38 3.356 -13.949 -6.422 250 H MET 39 H MET 39 2.820 -9.370 -0.164 251 HA MET 39 HA MET 39 0.354 -7.868 -0.076 252 1HB MET 39 1HB MET 39 2.654 -7.993 1.889 253 2HB MET 39 2HB MET 39 1.105 -7.214 2.167 254 1HG MET 39 1HG MET 39 0.035 -9.465 1.805 255 2HG MET 39 2HG MET 39 1.660 -10.144 1.853 256 1HE MET 39 1HE MET 39 3.280 -9.146 3.504 257 2HE MET 39 2HE MET 39 2.853 -8.366 5.029 258 3HE MET 39 3HE MET 39 3.010 -10.120 4.949 259 H TRP 40 H TRP 40 0.224 -5.629 -0.019 260 HA TRP 40 HA TRP 40 2.637 -4.144 -0.779 261 1HB TRP 40 1HB TRP 40 1.341 -2.963 -2.517 262 2HB TRP 40 2HB TRP 40 1.447 -4.691 -2.850 263 HD1 TRP 40 HD1 TRP 40 -0.911 -6.128 -2.089 264 HE1 TRP 40 1HE TRP 40 -3.356 -5.356 -2.252 265 HE3 TRP 40 3HE TRP 40 -0.147 -1.112 -2.514 266 HZ2 TRP 40 2HZ TRP 40 -4.770 -2.948 -2.506 267 HZ3 TRP 40 3HZ TRP 40 -2.100 0.367 -2.686 268 HH2 TRP 40 HH2 TRP 40 -4.361 -0.535 -2.689 269 H CYS 41 H CYS 41 1.557 -1.718 -1.205 270 HA CYS 41 HA CYS 41 -0.220 -0.870 0.906 271 1HB CYS 41 1HB CYS 41 1.470 0.642 1.946 272 2HB CYS 41 2HB CYS 41 1.870 -1.061 2.176 273 H ALA 42 H ALA 42 -0.757 1.454 0.631 274 HA ALA 42 HA ALA 42 -0.429 2.270 -2.141 275 1HB ALA 42 1HB ALA 42 -1.915 3.626 0.110 276 2HB ALA 42 2HB ALA 42 -1.924 4.136 -1.578 277 3HB ALA 42 3HB ALA 42 -2.620 2.579 -1.121 278 H THR 43 H THR 43 0.607 4.129 -2.823 279 HA THR 43 HA THR 43 2.571 5.151 -0.908 280 HB THR 43 HB THR 43 3.848 5.822 -2.916 281 HG1 THR 43 1HG THR 43 2.718 6.005 -4.684 282 1HG2 THR 43 1HG2 THR 43 3.559 3.213 -3.861 283 2HG2 THR 43 2HG2 THR 43 4.743 3.807 -2.696 284 3HG2 THR 43 3HG2 THR 43 3.210 3.139 -2.134 285 H THR 44 H THR 44 -0.338 5.888 -1.613 286 HA THR 44 HA THR 44 0.069 8.781 -1.452 287 HB THR 44 HB THR 44 -2.062 9.052 -2.802 288 HG1 THR 44 1HG THR 44 -3.069 7.319 -3.339 289 1HG2 THR 44 1HG2 THR 44 -1.065 8.825 -4.979 290 2HG2 THR 44 2HG2 THR 44 0.120 9.467 -3.840 291 3HG2 THR 44 3HG2 THR 44 0.194 7.773 -4.330 292 H ALA 45 H ALA 45 -1.595 9.856 -0.206 293 HA ALA 45 HA ALA 45 -2.419 8.450 2.066 294 1HB ALA 45 1HB ALA 45 -3.518 11.032 0.965 295 2HB ALA 45 2HB ALA 45 -3.783 10.421 2.599 296 3HB ALA 45 3HB ALA 45 -2.157 10.858 2.074 297 H ASN 46 H ASN 46 -4.243 9.241 -0.872 298 HA ASN 46 HA ASN 46 -6.289 7.336 0.047 299 1HB ASN 46 1HB ASN 46 -7.167 9.677 -0.032 300 2HB ASN 46 2HB ASN 46 -6.801 9.723 -1.755 301 1HD2 ASN 46 1HD2 ASN 46 -10.224 8.228 -0.458 302 2HD2 ASN 46 2HD2 ASN 46 -9.119 9.114 0.518 303 H TYR 47 H TYR 47 -5.972 5.538 -1.029 304 HA TYR 47 HA TYR 47 -4.589 5.443 -3.495 305 1HB TYR 47 1HB TYR 47 -4.538 3.641 -1.778 306 2HB TYR 47 2HB TYR 47 -6.191 3.231 -2.215 307 HD1 TYR 47 1HD TYR 47 -6.647 2.430 -4.598 308 HD2 TYR 47 2HD TYR 47 -2.715 2.814 -3.019 309 HE1 TYR 47 1HE TYR 47 -5.783 0.952 -6.366 310 HE2 TYR 47 2HE TYR 47 -1.860 1.341 -4.783 311 HH TYR 47 HH TYR 47 -3.390 -0.683 -6.394 312 H ASP 48 H ASP 48 -8.036 5.286 -2.681 313 HA ASP 48 HA ASP 48 -9.040 4.410 -5.103 314 1HB ASP 48 1HB ASP 48 -10.146 6.411 -3.148 315 2HB ASP 48 2HB ASP 48 -11.044 5.877 -4.559 316 H ASP 49 H ASP 49 -7.890 7.587 -4.212 317 HA ASP 49 HA ASP 49 -8.802 8.927 -6.558 318 1HB ASP 49 1HB ASP 49 -6.831 9.690 -4.407 319 2HB ASP 49 2HB ASP 49 -7.255 10.750 -5.740 320 H ASP 50 H ASP 50 -5.442 8.548 -5.454 321 HA ASP 50 HA ASP 50 -4.492 8.933 -8.148 322 1HB ASP 50 1HB ASP 50 -3.057 8.586 -5.526 323 2HB ASP 50 2HB ASP 50 -2.230 8.816 -7.063 324 H ARG 51 H ARG 51 -5.118 6.158 -6.232 325 HA ARG 51 HA ARG 51 -4.537 3.990 -6.359 326 1HB ARG 51 1HB ARG 51 -4.816 4.672 -9.259 327 2HB ARG 51 2HB ARG 51 -4.918 3.053 -8.575 328 1HG ARG 51 1HG ARG 51 -6.678 4.271 -7.009 329 2HG ARG 51 2HG ARG 51 -6.832 5.297 -8.435 330 1HD ARG 51 1HD ARG 51 -6.895 2.331 -8.633 331 2HD ARG 51 2HD ARG 51 -8.337 3.254 -8.204 332 HE ARG 51 HE ARG 51 -7.301 4.416 -10.498 333 1HH1 ARG 51 1HH1 ARG 51 -8.582 1.298 -9.580 334 2HH1 ARG 51 2HH1 ARG 51 -9.218 0.959 -11.158 335 1HH2 ARG 51 1HH2 ARG 51 -8.171 3.978 -12.564 336 2HH2 ARG 51 2HH2 ARG 51 -8.993 2.473 -12.847 337 H LYS 52 H LYS 52 -2.243 5.116 -5.771 338 HA LYS 52 HA LYS 52 -0.323 3.826 -7.574 339 1HB LYS 52 1HB LYS 52 0.022 6.250 -5.796 340 2HB LYS 52 2HB LYS 52 1.375 5.405 -6.544 341 1HG LYS 52 1HG LYS 52 0.567 5.901 -8.740 342 2HG LYS 52 2HG LYS 52 -0.936 6.545 -8.091 343 1HD LYS 52 1HD LYS 52 0.318 8.359 -7.027 344 2HD LYS 52 2HD LYS 52 1.816 7.719 -7.713 345 1HE LYS 52 1HE LYS 52 0.826 7.996 -9.978 346 2HE LYS 52 2HE LYS 52 -0.581 8.757 -9.239 347 1HZ LYS 52 1HZ LYS 52 2.075 9.843 -8.626 348 2HZ LYS 52 2HZ LYS 52 1.398 10.168 -10.153 349 3HZ LYS 52 3HZ LYS 52 0.572 10.637 -8.742 350 H TRP 53 H TRP 53 0.566 2.100 -6.821 351 HA TRP 53 HA TRP 53 0.619 1.662 -3.918 352 1HB TRP 53 1HB TRP 53 -0.110 -0.600 -4.326 353 2HB TRP 53 2HB TRP 53 -1.224 0.516 -5.008 354 HD1 TRP 53 HD1 TRP 53 -0.659 0.973 -7.849 355 HE1 TRP 53 1HE TRP 53 -0.217 -0.898 -9.567 356 HE3 TRP 53 3HE TRP 53 0.600 -2.630 -4.607 357 HZ2 TRP 53 2HZ TRP 53 0.557 -3.650 -9.498 358 HZ3 TRP 53 3HZ TRP 53 1.174 -4.899 -5.452 359 HH2 TRP 53 HH2 TRP 53 1.155 -5.388 -7.854 360 H GLY 54 H GLY 54 1.867 -0.303 -3.351 361 1HA GLY 54 1HA GLY 54 4.098 -1.113 -4.956 362 2HA GLY 54 2HA GLY 54 4.566 0.023 -3.694 363 H PHE 55 H PHE 55 4.999 -2.974 -4.132 364 HA PHE 55 HA PHE 55 3.635 -4.440 -2.167 365 1HB PHE 55 1HB PHE 55 6.297 -4.761 -3.519 366 2HB PHE 55 2HB PHE 55 5.748 -5.893 -2.303 367 HD1 PHE 55 1HD PHE 55 2.790 -5.115 -3.721 368 HD2 PHE 55 2HD PHE 55 6.458 -6.999 -4.766 369 HE1 PHE 55 1HE PHE 55 1.620 -6.445 -5.438 370 HE2 PHE 55 2HE PHE 55 5.296 -8.332 -6.475 371 HZ PHE 55 HZ PHE 55 2.874 -8.039 -6.825 372 H CYS 56 H CYS 56 4.476 -5.298 -0.196 373 HA CYS 56 HA CYS 56 6.048 -3.332 1.296 374 1HB CYS 56 1HB CYS 56 4.240 -5.596 2.165 375 2HB CYS 56 2HB CYS 56 5.292 -4.730 3.290 376 HA PRO 57 HA PRO 57 9.500 -6.074 0.920 377 1HB PRO 57 1HB PRO 57 11.290 -4.756 2.318 378 2HB PRO 57 2HB PRO 57 10.622 -4.055 0.830 379 1HG PRO 57 1HG PRO 57 9.705 -3.665 3.653 380 2HG PRO 57 2HG PRO 57 10.195 -2.397 2.507 381 1HD PRO 57 1HD PRO 57 7.624 -3.022 2.877 382 2HD PRO 57 2HD PRO 57 8.238 -2.669 1.243 383 H ASP 58 H ASP 58 7.633 -6.034 3.391 384 HA ASP 58 HA ASP 58 9.303 -7.884 4.963 385 1HB ASP 58 1HB ASP 58 8.837 -5.657 6.092 386 2HB ASP 58 2HB ASP 58 7.144 -6.141 6.157 387 H GLN 59 H GLN 59 8.436 -9.631 3.769 388 HA GLN 59 HA GLN 59 5.596 -10.084 3.705 389 1HB GLN 59 1HB GLN 59 7.984 -11.700 2.852 390 2HB GLN 59 2HB GLN 59 6.360 -12.367 2.797 391 1HG GLN 59 1HG GLN 59 7.180 -9.840 1.383 392 2HG GLN 59 2HG GLN 59 7.188 -11.438 0.639 393 1HE2 GLN 59 1HE2 GLN 59 3.837 -11.372 -0.152 394 2HE2 GLN 59 2HE2 GLN 59 5.403 -12.076 -0.345 395 H GLY 60 H GLY 60 4.553 -11.958 4.598 396 1HA GLY 60 1HA GLY 60 5.550 -13.765 6.392 397 2HA GLY 60 2HA GLY 60 5.244 -12.327 7.354 Start of MODEL 3 1 H SER 1 1H SER 1 9.911 6.203 5.550 2 HA SER 1 HA SER 1 10.934 3.654 6.301 3 1HB SER 1 1HB SER 1 9.036 4.098 4.753 4 2HB SER 1 2HB SER 1 10.154 4.908 3.649 5 HG SER 1 HG SER 1 9.565 2.448 3.516 6 H TRP 2 H TRP 2 12.712 2.615 5.284 7 HA TRP 2 HA TRP 2 14.778 4.472 4.288 8 1HB TRP 2 1HB TRP 2 15.107 2.082 6.106 9 2HB TRP 2 2HB TRP 2 16.450 2.830 5.251 10 HD1 TRP 2 HD1 TRP 2 13.751 3.848 7.851 11 HE1 TRP 2 1HE TRP 2 14.801 5.611 9.410 12 HE3 TRP 2 3HE TRP 2 18.298 4.348 5.565 13 HZ2 TRP 2 2HZ TRP 2 17.236 7.002 9.649 14 HZ3 TRP 2 3HZ TRP 2 19.937 5.904 6.534 15 HH2 TRP 2 HH2 TRP 2 19.413 7.203 8.530 16 H MET 3 H MET 3 12.945 1.667 3.673 17 HA MET 3 HA MET 3 14.738 0.995 1.463 18 1HB MET 3 1HB MET 3 13.606 -1.338 1.734 19 2HB MET 3 2HB MET 3 14.951 -0.893 2.770 20 1HG MET 3 1HG MET 3 13.373 -0.281 4.542 21 2HG MET 3 2HG MET 3 12.026 -0.715 3.490 22 1HE MET 3 1HE MET 3 11.623 -1.630 5.845 23 2HE MET 3 2HE MET 3 11.632 -3.386 5.992 24 3HE MET 3 3HE MET 3 12.944 -2.438 6.692 25 H SER 4 H SER 4 12.318 2.719 1.680 26 HA SER 4 HA SER 4 10.371 3.195 0.525 27 1HB SER 4 1HB SER 4 12.249 3.389 -1.147 28 2HB SER 4 2HB SER 4 11.833 1.772 -1.705 29 HG SER 4 HG SER 4 10.564 2.883 -2.993 30 H THR 5 H THR 5 9.424 1.709 -1.774 31 HA THR 5 HA THR 5 8.141 -0.548 -0.394 32 HB THR 5 HB THR 5 6.358 -0.165 -2.206 33 HG1 THR 5 1HG THR 5 7.229 2.490 -2.258 34 1HG2 THR 5 1HG2 THR 5 5.487 1.970 -1.012 35 2HG2 THR 5 2HG2 THR 5 5.533 0.417 -0.172 36 3HG2 THR 5 3HG2 THR 5 6.795 1.616 0.116 37 H VAL 6 H VAL 6 7.256 -2.166 -1.974 38 HA VAL 6 HA VAL 6 9.199 -2.723 -4.133 39 HB VAL 6 HB VAL 6 7.596 -5.005 -3.312 40 1HG1 VAL 6 1HG1 VAL 6 10.419 -4.401 -3.946 41 2HG1 VAL 6 2HG1 VAL 6 10.095 -5.844 -2.986 42 3HG1 VAL 6 3HG1 VAL 6 9.354 -5.656 -4.578 43 1HG2 VAL 6 1HG2 VAL 6 8.502 -3.439 -1.167 44 2HG2 VAL 6 2HG2 VAL 6 7.818 -5.062 -1.115 45 3HG2 VAL 6 3HG2 VAL 6 9.563 -4.846 -1.254 46 H GLY 7 H GLY 7 7.713 -4.684 -5.352 47 1HA GLY 7 1HA GLY 7 6.173 -4.763 -7.092 48 2HA GLY 7 2HA GLY 7 5.073 -4.543 -5.769 49 H GLY 8 H GLY 8 3.604 -3.176 -6.232 50 1HA GLY 8 1HA GLY 8 2.466 -1.437 -7.190 51 2HA GLY 8 2HA GLY 8 3.686 -0.529 -6.329 52 H ASN 9 H ASN 9 3.898 1.137 -7.619 53 HA ASN 9 HA ASN 9 5.269 0.751 -10.143 54 1HB ASN 9 1HB ASN 9 3.611 2.783 -10.893 55 2HB ASN 9 2HB ASN 9 3.384 1.110 -11.344 56 1HD2 ASN 9 1HD2 ASN 9 0.759 2.996 -9.007 57 2HD2 ASN 9 2HD2 ASN 9 2.201 3.730 -9.616 58 H SER 10 H SER 10 4.424 2.559 -7.368 59 HA SER 10 HA SER 10 5.425 5.087 -7.928 60 1HB SER 10 1HB SER 10 5.642 3.693 -5.248 61 2HB SER 10 2HB SER 10 5.452 5.417 -5.559 62 HG SER 10 HG SER 10 3.430 4.719 -5.068 63 H GLY 11 H GLY 11 7.096 2.196 -6.708 64 1HA GLY 11 1HA GLY 11 9.303 1.590 -6.970 65 2HA GLY 11 2HA GLY 11 9.558 3.063 -7.886 66 H GLY 12 H GLY 12 9.912 5.051 -6.682 67 1HA GLY 12 1HA GLY 12 11.412 4.457 -4.230 68 2HA GLY 12 2HA GLY 12 11.643 5.862 -5.258 69 H ALA 13 H ALA 13 8.592 4.609 -3.906 70 HA ALA 13 HA ALA 13 8.456 7.051 -2.261 71 1HB ALA 13 1HB ALA 13 6.773 6.387 -4.464 72 2HB ALA 13 2HB ALA 13 5.821 6.350 -2.980 73 3HB ALA 13 3HB ALA 13 6.719 7.804 -3.416 74 HA PRO 14 HA PRO 14 7.366 4.098 0.858 75 1HB PRO 14 1HB PRO 14 6.949 5.841 2.885 76 2HB PRO 14 2HB PRO 14 8.562 5.476 2.258 77 1HG PRO 14 1HG PRO 14 6.889 7.894 1.884 78 2HG PRO 14 2HG PRO 14 8.650 7.728 1.859 79 1HD PRO 14 1HD PRO 14 6.915 7.903 -0.382 80 2HD PRO 14 2HD PRO 14 8.654 7.540 -0.402 81 H CYS 15 H CYS 15 5.575 3.720 2.469 82 HA CYS 15 HA CYS 15 3.037 4.118 1.163 83 1HB CYS 15 1HB CYS 15 3.200 3.001 3.928 84 2HB CYS 15 2HB CYS 15 2.219 2.474 2.566 85 H VAL 16 H VAL 16 1.365 5.442 1.825 86 HA VAL 16 HA VAL 16 1.982 7.348 3.985 87 HB VAL 16 HB VAL 16 -0.089 7.516 1.782 88 1HG1 VAL 16 1HG1 VAL 16 0.083 8.913 4.295 89 2HG1 VAL 16 2HG1 VAL 16 0.278 10.037 2.951 90 3HG1 VAL 16 3HG1 VAL 16 -1.153 9.014 3.035 91 1HG2 VAL 16 1HG2 VAL 16 2.620 8.024 1.648 92 2HG2 VAL 16 2HG2 VAL 16 1.390 8.651 0.550 93 3HG2 VAL 16 3HG2 VAL 16 1.918 9.617 1.927 94 H PHE 17 H PHE 17 1.212 6.681 5.879 95 HA PHE 17 HA PHE 17 -1.383 5.310 5.952 96 1HB PHE 17 1HB PHE 17 1.008 5.173 7.777 97 2HB PHE 17 2HB PHE 17 -0.552 4.487 8.191 98 HD1 PHE 17 1HD PHE 17 -0.889 3.794 5.036 99 HD2 PHE 17 2HD PHE 17 1.890 2.903 8.121 100 HE1 PHE 17 1HE PHE 17 -0.261 1.723 3.874 101 HE2 PHE 17 2HE PHE 17 2.533 0.834 6.977 102 HZ PHE 17 HZ PHE 17 1.465 0.211 4.836 103 HA PRO 18 HA PRO 18 -2.813 4.774 7.105 104 1HB PRO 18 1HB PRO 18 -5.417 5.715 7.653 105 2HB PRO 18 2HB PRO 18 -4.421 4.697 8.693 106 1HG PRO 18 1HG PRO 18 -5.205 7.324 9.247 107 2HG PRO 18 2HG PRO 18 -3.914 6.432 10.068 108 1HD PRO 18 1HD PRO 18 -3.728 8.465 7.890 109 2HD PRO 18 2HD PRO 18 -2.624 8.157 9.249 110 H PHE 19 H PHE 19 -3.533 4.177 5.098 111 HA PHE 19 HA PHE 19 -4.530 6.373 3.419 112 1HB PHE 19 1HB PHE 19 -3.977 5.105 1.454 113 2HB PHE 19 2HB PHE 19 -2.574 5.154 2.506 114 HD1 PHE 19 1HD PHE 19 -1.943 3.105 3.787 115 HD2 PHE 19 2HD PHE 19 -4.930 3.070 0.762 116 HE1 PHE 19 1HE PHE 19 -1.697 0.667 3.588 117 HE2 PHE 19 2HE PHE 19 -4.701 0.626 0.557 118 HZ PHE 19 HZ PHE 19 -3.083 -0.577 1.959 119 H THR 20 H THR 20 -5.982 5.034 1.521 120 HA THR 20 HA THR 20 -7.994 3.516 3.019 121 HB THR 20 HB THR 20 -8.649 5.984 1.374 122 HG1 THR 20 1HG THR 20 -8.169 5.609 4.093 123 1HG2 THR 20 1HG2 THR 20 -10.858 5.737 2.644 124 2HG2 THR 20 2HG2 THR 20 -10.559 4.686 1.258 125 3HG2 THR 20 3HG2 THR 20 -10.359 4.061 2.892 126 H PHE 21 H PHE 21 -8.736 1.873 1.938 127 HA PHE 21 HA PHE 21 -8.720 1.935 -1.000 128 1HB PHE 21 1HB PHE 21 -6.757 0.640 0.097 129 2HB PHE 21 2HB PHE 21 -7.973 -0.532 0.545 130 HD1 PHE 21 1HD PHE 21 -8.458 1.187 -2.630 131 HD2 PHE 21 2HD PHE 21 -6.742 -2.189 -0.708 132 HE1 PHE 21 1HE PHE 21 -8.180 0.082 -4.799 133 HE2 PHE 21 2HE PHE 21 -6.463 -3.306 -2.862 134 HZ PHE 21 HZ PHE 21 -7.169 -2.169 -4.938 135 H LEU 22 H LEU 22 -10.417 0.910 -1.912 136 HA LEU 22 HA LEU 22 -12.586 0.437 -2.134 137 1HB LEU 22 1HB LEU 22 -11.347 -1.716 -0.544 138 2HB LEU 22 2HB LEU 22 -12.903 -1.918 -1.336 139 HG LEU 22 HG LEU 22 -11.778 -2.542 -3.158 140 1HD1 LEU 22 1HD1 LEU 22 -10.818 0.187 -3.076 141 2HD1 LEU 22 2HD1 LEU 22 -10.048 -0.947 -4.182 142 3HD1 LEU 22 3HD1 LEU 22 -11.782 -0.645 -4.297 143 1HD2 LEU 22 1HD2 LEU 22 -10.040 -2.967 -1.243 144 2HD2 LEU 22 2HD2 LEU 22 -9.793 -3.427 -2.926 145 3HD2 LEU 22 3HD2 LEU 22 -9.106 -1.921 -2.312 146 H GLY 23 H GLY 23 -12.271 2.214 0.150 147 1HA GLY 23 1HA GLY 23 -14.104 3.053 1.414 148 2HA GLY 23 2HA GLY 23 -14.733 1.421 1.532 149 H ASN 24 H ASN 24 -11.661 0.803 2.338 150 HA ASN 24 HA ASN 24 -12.213 1.390 5.178 151 1HB ASN 24 1HB ASN 24 -10.521 -0.776 3.907 152 2HB ASN 24 2HB ASN 24 -10.725 -0.536 5.635 153 1HD2 ASN 24 1HD2 ASN 24 -13.397 -2.605 3.519 154 2HD2 ASN 24 2HD2 ASN 24 -11.901 -2.026 2.882 155 H LYS 25 H LYS 25 -10.487 1.909 6.565 156 HA LYS 25 HA LYS 25 -8.449 3.515 5.292 157 1HB LYS 25 1HB LYS 25 -9.061 3.246 8.234 158 2HB LYS 25 2HB LYS 25 -8.266 4.555 7.407 159 1HG LYS 25 1HG LYS 25 -10.283 5.548 7.657 160 2HG LYS 25 2HG LYS 25 -10.605 4.685 6.153 161 1HD LYS 25 1HD LYS 25 -12.447 4.318 7.656 162 2HD LYS 25 2HD LYS 25 -11.545 2.811 7.485 163 1HE LYS 25 1HE LYS 25 -10.331 3.439 9.611 164 2HE LYS 25 2HE LYS 25 -11.517 4.733 9.803 165 1HZ LYS 25 1HZ LYS 25 -13.180 2.746 9.451 166 2HZ LYS 25 2HZ LYS 25 -11.864 1.837 10.028 167 3HZ LYS 25 3HZ LYS 25 -12.515 3.082 10.982 168 H TYR 26 H TYR 26 -6.377 2.758 5.154 169 HA TYR 26 HA TYR 26 -5.791 0.372 6.745 170 1HB TYR 26 1HB TYR 26 -4.616 1.268 4.120 171 2HB TYR 26 2HB TYR 26 -4.150 -0.179 5.001 172 HD1 TYR 26 1HD TYR 26 -7.145 1.454 3.488 173 HD2 TYR 26 2HD TYR 26 -5.225 -2.180 4.550 174 HE1 TYR 26 1HE TYR 26 -8.924 0.198 2.385 175 HE2 TYR 26 2HE TYR 26 -6.998 -3.447 3.438 176 HH TYR 26 HH TYR 26 -9.294 -2.008 1.389 177 H GLU 27 H GLU 27 -4.670 0.797 8.403 178 HA GLU 27 HA GLU 27 -2.816 3.023 8.537 179 1HB GLU 27 1HB GLU 27 -3.729 1.039 10.607 180 2HB GLU 27 2HB GLU 27 -2.725 2.430 10.915 181 1HG GLU 27 1HG GLU 27 -4.514 3.921 10.245 182 2HG GLU 27 2HG GLU 27 -5.527 2.530 9.857 183 H SER 28 H SER 28 -2.757 -0.204 7.772 184 HA SER 28 HA SER 28 0.142 -0.346 8.070 185 1HB SER 28 1HB SER 28 -0.369 -2.865 8.543 186 2HB SER 28 2HB SER 28 -0.541 -1.707 9.862 187 HG SER 28 HG SER 28 -2.355 -3.357 9.106 188 H CYS 29 H CYS 29 0.564 -2.769 6.807 189 HA CYS 29 HA CYS 29 -0.073 -2.106 4.116 190 1HB CYS 29 1HB CYS 29 1.164 -4.583 5.298 191 2HB CYS 29 2HB CYS 29 0.943 -4.338 3.582 192 H THR 30 H THR 30 -1.047 -3.767 2.659 193 HA THR 30 HA THR 30 -3.212 -5.306 3.884 194 HB THR 30 HB THR 30 -4.204 -3.070 3.393 195 HG1 THR 30 1HG THR 30 -5.650 -4.680 3.128 196 1HG2 THR 30 1HG2 THR 30 -4.007 -3.470 0.479 197 2HG2 THR 30 2HG2 THR 30 -4.072 -1.984 1.424 198 3HG2 THR 30 3HG2 THR 30 -2.558 -2.877 1.290 199 H SER 31 H SER 31 -4.359 -6.571 2.143 200 HA SER 31 HA SER 31 -2.547 -7.220 -0.077 201 1HB SER 31 1HB SER 31 -3.383 -9.610 0.178 202 2HB SER 31 2HB SER 31 -2.323 -9.047 1.478 203 HG SER 31 HG SER 31 -4.173 -10.117 2.293 204 H ALA 32 H ALA 32 -4.955 -5.541 0.561 205 HA ALA 32 HA ALA 32 -7.278 -6.494 -0.648 206 1HB ALA 32 1HB ALA 32 -6.504 -4.169 0.645 207 2HB ALA 32 2HB ALA 32 -6.842 -3.628 -0.999 208 3HB ALA 32 3HB ALA 32 -8.091 -4.461 -0.075 209 H GLY 33 H GLY 33 -8.114 -6.374 -2.684 210 1HA GLY 33 1HA GLY 33 -8.156 -6.108 -4.972 211 2HA GLY 33 2HA GLY 33 -6.828 -4.969 -4.808 212 H ARG 34 H ARG 34 -5.689 -7.563 -3.256 213 HA ARG 34 HA ARG 34 -4.444 -8.588 -5.703 214 1HB ARG 34 1HB ARG 34 -3.484 -8.684 -2.847 215 2HB ARG 34 2HB ARG 34 -2.642 -9.377 -4.211 216 1HG ARG 34 1HG ARG 34 -2.814 -6.880 -5.105 217 2HG ARG 34 2HG ARG 34 -2.896 -6.554 -3.377 218 1HD ARG 34 1HD ARG 34 -0.586 -6.499 -4.264 219 2HD ARG 34 2HD ARG 34 -0.822 -7.709 -2.994 220 HE ARG 34 HE ARG 34 -0.314 -9.341 -4.504 221 1HH1 ARG 34 1HH1 ARG 34 -1.129 -6.444 -6.314 222 2HH1 ARG 34 2HH1 ARG 34 -0.712 -7.132 -7.847 223 1HH2 ARG 34 1HH2 ARG 34 0.214 -10.245 -6.536 224 2HH2 ARG 34 2HH2 ARG 34 0.059 -9.283 -7.975 225 H SER 35 H SER 35 -4.902 -9.913 -2.444 226 HA SER 35 HA SER 35 -5.634 -11.925 -1.678 227 1HB SER 35 1HB SER 35 -7.286 -11.916 -4.219 228 2HB SER 35 2HB SER 35 -7.531 -12.999 -2.848 229 HG SER 35 HG SER 35 -8.230 -11.332 -1.632 230 H ASP 36 H ASP 36 -3.323 -11.678 -3.530 231 HA ASP 36 HA ASP 36 -3.261 -14.359 -4.673 232 1HB ASP 36 1HB ASP 36 -1.842 -13.562 -6.290 233 2HB ASP 36 2HB ASP 36 -2.731 -12.101 -5.925 234 H GLY 37 H GLY 37 -1.741 -12.203 -2.466 235 1HA GLY 37 1HA GLY 37 -0.876 -13.823 -0.555 236 2HA GLY 37 2HA GLY 37 0.350 -14.119 -1.779 237 H LYS 38 H LYS 38 1.171 -11.880 -2.755 238 HA LYS 38 HA LYS 38 2.679 -10.657 -0.777 239 1HB LYS 38 1HB LYS 38 1.914 -9.563 -3.480 240 2HB LYS 38 2HB LYS 38 3.258 -9.015 -2.493 241 1HG LYS 38 1HG LYS 38 4.192 -10.373 -4.129 242 2HG LYS 38 2HG LYS 38 4.177 -11.371 -2.689 243 1HD LYS 38 1HD LYS 38 2.422 -12.687 -3.514 244 2HD LYS 38 2HD LYS 38 1.971 -11.482 -4.722 245 1HE LYS 38 1HE LYS 38 4.453 -13.193 -4.711 246 2HE LYS 38 2HE LYS 38 3.074 -13.341 -5.802 247 1HZ LYS 38 1HZ LYS 38 3.647 -10.892 -6.366 248 2HZ LYS 38 2HZ LYS 38 5.178 -11.273 -5.738 249 3HZ LYS 38 3HZ LYS 38 4.561 -12.139 -7.065 250 H MET 39 H MET 39 2.420 -8.913 0.487 251 HA MET 39 HA MET 39 -0.147 -7.519 0.354 252 1HB MET 39 1HB MET 39 1.912 -7.503 2.578 253 2HB MET 39 2HB MET 39 0.295 -6.828 2.626 254 1HG MET 39 1HG MET 39 -0.689 -9.017 2.479 255 2HG MET 39 2HG MET 39 0.906 -9.751 2.306 256 1HE MET 39 1HE MET 39 -0.250 -6.804 4.451 257 2HE MET 39 2HE MET 39 -1.542 -7.886 4.971 258 3HE MET 39 3HE MET 39 -0.266 -7.424 6.100 259 H TRP 40 H TRP 40 -0.171 -5.227 0.409 260 HA TRP 40 HA TRP 40 2.375 -3.920 -0.232 261 1HB TRP 40 1HB TRP 40 1.213 -2.633 -2.012 262 2HB TRP 40 2HB TRP 40 1.287 -4.358 -2.367 263 HD1 TRP 40 HD1 TRP 40 -1.155 -5.731 -1.750 264 HE1 TRP 40 1HE TRP 40 -3.561 -4.880 -2.060 265 HE3 TRP 40 3HE TRP 40 -0.220 -0.724 -2.055 266 HZ2 TRP 40 2HZ TRP 40 -4.874 -2.421 -2.366 267 HZ3 TRP 40 3HZ TRP 40 -2.119 0.815 -2.332 268 HH2 TRP 40 HH2 TRP 40 -4.398 -0.024 -2.490 269 H CYS 41 H CYS 41 1.545 -1.415 -0.665 270 HA CYS 41 HA CYS 41 -0.282 -0.469 1.374 271 1HB CYS 41 1HB CYS 41 1.462 0.984 2.425 272 2HB CYS 41 2HB CYS 41 1.738 -0.734 2.712 273 H ALA 42 H ALA 42 -1.044 1.602 0.817 274 HA ALA 42 HA ALA 42 -0.428 2.452 -1.856 275 1HB ALA 42 1HB ALA 42 -2.357 3.303 0.239 276 2HB ALA 42 2HB ALA 42 -1.935 4.466 -1.021 277 3HB ALA 42 3HB ALA 42 -2.628 2.905 -1.458 278 H THR 43 H THR 43 0.578 4.346 -2.499 279 HA THR 43 HA THR 43 2.353 5.470 -0.466 280 HB THR 43 HB THR 43 3.725 6.230 -2.351 281 HG1 THR 43 1HG THR 43 2.535 6.589 -4.072 282 1HG2 THR 43 1HG2 THR 43 3.680 3.726 -3.502 283 2HG2 THR 43 2HG2 THR 43 4.638 4.213 -2.103 284 3HG2 THR 43 3HG2 THR 43 3.065 3.446 -1.875 285 H THR 44 H THR 44 -0.570 6.062 -1.338 286 HA THR 44 HA THR 44 -0.283 8.985 -1.236 287 HB THR 44 HB THR 44 -2.436 9.091 -2.571 288 HG1 THR 44 1HG THR 44 -3.382 7.264 -2.937 289 1HG2 THR 44 1HG2 THR 44 -1.339 8.320 -4.779 290 2HG2 THR 44 2HG2 THR 44 -0.646 9.676 -3.893 291 3HG2 THR 44 3HG2 THR 44 0.097 8.078 -3.783 292 H ALA 45 H ALA 45 -2.012 10.051 -0.059 293 HA ALA 45 HA ALA 45 -2.784 8.758 2.306 294 1HB ALA 45 1HB ALA 45 -2.981 11.359 1.245 295 2HB ALA 45 2HB ALA 45 -4.609 10.884 1.738 296 3HB ALA 45 3HB ALA 45 -3.286 10.838 2.901 297 H ASN 46 H ASN 46 -4.489 9.229 -0.734 298 HA ASN 46 HA ASN 46 -6.506 7.292 0.189 299 1HB ASN 46 1HB ASN 46 -7.401 9.684 -0.117 300 2HB ASN 46 2HB ASN 46 -7.109 9.452 -1.840 301 1HD2 ASN 46 1HD2 ASN 46 -10.444 8.141 -0.188 302 2HD2 ASN 46 2HD2 ASN 46 -9.342 9.250 0.544 303 H TYR 47 H TYR 47 -6.055 5.473 -0.835 304 HA TYR 47 HA TYR 47 -4.470 5.410 -3.172 305 1HB TYR 47 1HB TYR 47 -4.473 3.576 -1.520 306 2HB TYR 47 2HB TYR 47 -6.114 3.157 -2.014 307 HD1 TYR 47 1HD TYR 47 -2.755 3.736 -3.554 308 HD2 TYR 47 2HD TYR 47 -6.374 1.515 -3.579 309 HE1 TYR 47 1HE TYR 47 -1.873 2.334 -5.364 310 HE2 TYR 47 2HE TYR 47 -5.500 0.103 -5.377 311 HH TYR 47 HH TYR 47 -2.745 -0.440 -6.126 312 H ASP 48 H ASP 48 -7.966 4.997 -2.696 313 HA ASP 48 HA ASP 48 -8.530 4.138 -5.285 314 1HB ASP 48 1HB ASP 48 -10.162 5.540 -3.199 315 2HB ASP 48 2HB ASP 48 -10.836 5.192 -4.787 316 H ASP 49 H ASP 49 -7.944 7.304 -4.028 317 HA ASP 49 HA ASP 49 -8.963 8.812 -6.203 318 1HB ASP 49 1HB ASP 49 -7.248 9.380 -3.841 319 2HB ASP 49 2HB ASP 49 -7.171 10.515 -5.183 320 H ASP 50 H ASP 50 -5.555 8.246 -5.281 321 HA ASP 50 HA ASP 50 -4.741 9.011 -7.976 322 1HB ASP 50 1HB ASP 50 -3.185 8.555 -5.439 323 2HB ASP 50 2HB ASP 50 -2.428 8.940 -6.979 324 H ARG 51 H ARG 51 -4.969 6.137 -6.069 325 HA ARG 51 HA ARG 51 -4.389 4.009 -6.362 326 1HB ARG 51 1HB ARG 51 -4.732 4.748 -9.247 327 2HB ARG 51 2HB ARG 51 -4.730 3.106 -8.603 328 1HG ARG 51 1HG ARG 51 -6.493 4.517 -7.003 329 2HG ARG 51 2HG ARG 51 -6.870 5.033 -8.652 330 1HD ARG 51 1HD ARG 51 -6.711 2.218 -7.624 331 2HD ARG 51 2HD ARG 51 -8.186 3.116 -7.975 332 HE ARG 51 HE ARG 51 -6.535 3.030 -10.269 333 1HH1 ARG 51 1HH1 ARG 51 -8.643 1.009 -8.345 334 2HH1 ARG 51 2HH1 ARG 51 -9.053 -0.043 -9.667 335 1HH2 ARG 51 1HH2 ARG 51 -6.991 1.603 -11.983 336 2HH2 ARG 51 2HH2 ARG 51 -8.117 0.307 -11.746 337 H LYS 52 H LYS 52 -2.209 5.209 -5.692 338 HA LYS 52 HA LYS 52 -0.182 3.981 -7.418 339 1HB LYS 52 1HB LYS 52 0.004 6.529 -5.812 340 2HB LYS 52 2HB LYS 52 1.447 5.626 -6.264 341 1HG LYS 52 1HG LYS 52 0.542 5.771 -8.663 342 2HG LYS 52 2HG LYS 52 -0.510 7.037 -8.037 343 1HD LYS 52 1HD LYS 52 2.496 7.028 -7.779 344 2HD LYS 52 2HD LYS 52 1.608 7.891 -9.038 345 1HE LYS 52 1HE LYS 52 1.262 8.334 -6.069 346 2HE LYS 52 2HE LYS 52 2.292 9.314 -7.115 347 1HZ LYS 52 1HZ LYS 52 -0.451 9.012 -8.022 348 2HZ LYS 52 2HZ LYS 52 -0.265 9.888 -6.574 349 3HZ LYS 52 3HZ LYS 52 0.537 10.393 -7.977 350 H TRP 53 H TRP 53 0.646 2.268 -6.548 351 HA TRP 53 HA TRP 53 0.656 2.051 -3.619 352 1HB TRP 53 1HB TRP 53 -0.057 -0.245 -3.857 353 2HB TRP 53 2HB TRP 53 -1.190 0.817 -4.612 354 HD1 TRP 53 HD1 TRP 53 -0.752 1.024 -7.478 355 HE1 TRP 53 1HE TRP 53 -0.251 -0.962 -9.048 356 HE3 TRP 53 3HE TRP 53 0.811 -2.235 -3.999 357 HZ2 TRP 53 2HZ TRP 53 0.707 -3.644 -8.783 358 HZ3 TRP 53 3HZ TRP 53 1.515 -4.520 -4.674 359 HH2 TRP 53 HH2 TRP 53 1.461 -5.195 -7.035 360 H GLY 54 H GLY 54 1.853 0.083 -2.912 361 1HA GLY 54 1HA GLY 54 4.103 -0.790 -4.465 362 2HA GLY 54 2HA GLY 54 4.548 0.317 -3.166 363 H PHE 55 H PHE 55 4.937 -2.703 -3.598 364 HA PHE 55 HA PHE 55 3.364 -4.107 -1.770 365 1HB PHE 55 1HB PHE 55 6.107 -4.534 -2.896 366 2HB PHE 55 2HB PHE 55 5.498 -5.588 -1.636 367 HD1 PHE 55 1HD PHE 55 2.565 -5.283 -2.777 368 HD2 PHE 55 2HD PHE 55 6.317 -6.413 -4.433 369 HE1 PHE 55 1HE PHE 55 1.398 -6.686 -4.428 370 HE2 PHE 55 2HE PHE 55 5.153 -7.804 -6.101 371 HZ PHE 55 HZ PHE 55 2.700 -7.940 -6.101 372 H CYS 56 H CYS 56 3.947 -4.971 0.292 373 HA CYS 56 HA CYS 56 4.821 -3.019 2.166 374 1HB CYS 56 1HB CYS 56 3.298 -5.212 2.403 375 2HB CYS 56 2HB CYS 56 4.842 -5.952 2.813 376 HA PRO 57 HA PRO 57 9.215 -3.544 1.925 377 1HB PRO 57 1HB PRO 57 10.019 -3.218 4.466 378 2HB PRO 57 2HB PRO 57 9.416 -1.882 3.471 379 1HG PRO 57 1HG PRO 57 7.914 -3.628 5.366 380 2HG PRO 57 2HG PRO 57 7.985 -1.852 5.370 381 1HD PRO 57 1HD PRO 57 5.907 -3.060 4.261 382 2HD PRO 57 2HD PRO 57 6.697 -1.729 3.377 383 H ASP 58 H ASP 58 10.747 -4.481 4.166 384 HA ASP 58 HA ASP 58 11.343 -7.047 3.440 385 1HB ASP 58 1HB ASP 58 12.545 -5.416 5.068 386 2HB ASP 58 2HB ASP 58 11.604 -6.229 6.316 387 H GLN 59 H GLN 59 10.049 -8.739 3.337 388 HA GLN 59 HA GLN 59 8.344 -9.356 5.656 389 1HB GLN 59 1HB GLN 59 7.734 -9.787 2.724 390 2HB GLN 59 2HB GLN 59 6.804 -10.503 4.030 391 1HG GLN 59 1HG GLN 59 6.368 -8.169 4.849 392 2HG GLN 59 2HG GLN 59 7.087 -7.600 3.342 393 1HE2 GLN 59 1HE2 GLN 59 3.266 -8.646 3.436 394 2HE2 GLN 59 2HE2 GLN 59 4.254 -8.370 4.828 395 H GLY 60 H GLY 60 7.931 -11.645 5.962 396 1HA GLY 60 1HA GLY 60 9.904 -13.410 4.693 397 2HA GLY 60 2HA GLY 60 9.831 -13.325 6.449 Start of MODEL 4 1 H SER 1 1H SER 1 7.189 5.987 9.213 2 HA SER 1 HA SER 1 9.337 6.098 8.711 3 1HB SER 1 1HB SER 1 9.856 3.831 9.453 4 2HB SER 1 2HB SER 1 9.148 3.159 7.980 5 HG SER 1 HG SER 1 11.635 3.779 8.314 6 H TRP 2 H TRP 2 10.403 6.589 6.724 7 HA TRP 2 HA TRP 2 8.609 6.436 4.398 8 1HB TRP 2 1HB TRP 2 10.792 8.421 5.066 9 2HB TRP 2 2HB TRP 2 9.983 8.352 3.503 10 HD1 TRP 2 HD1 TRP 2 8.861 8.662 7.217 11 HE1 TRP 2 1HE TRP 2 6.903 10.332 7.312 12 HE3 TRP 2 3HE TRP 2 8.482 9.739 2.238 13 HZ2 TRP 2 2HZ TRP 2 5.423 11.925 5.519 14 HZ3 TRP 2 3HZ TRP 2 6.776 11.359 1.504 15 HH2 TRP 2 HH2 TRP 2 5.279 12.427 3.116 16 H MET 3 H MET 3 9.678 4.157 4.542 17 HA MET 3 HA MET 3 12.303 4.013 3.347 18 1HB MET 3 1HB MET 3 12.015 1.596 3.484 19 2HB MET 3 2HB MET 3 11.645 2.346 5.022 20 1HG MET 3 1HG MET 3 9.263 2.107 4.575 21 2HG MET 3 2HG MET 3 9.622 1.408 2.999 22 1HE MET 3 1HE MET 3 10.255 1.280 6.683 23 2HE MET 3 2HE MET 3 10.185 -0.423 7.129 24 3HE MET 3 3HE MET 3 11.674 0.254 6.471 25 H SER 4 H SER 4 11.978 1.840 1.617 26 HA SER 4 HA SER 4 10.490 3.147 -0.558 27 1HB SER 4 1HB SER 4 12.811 1.204 -0.722 28 2HB SER 4 2HB SER 4 11.999 1.943 -2.106 29 HG SER 4 HG SER 4 12.994 3.619 -0.093 30 H THR 5 H THR 5 9.576 1.634 -2.209 31 HA THR 5 HA THR 5 8.327 -0.646 -0.842 32 HB THR 5 HB THR 5 6.595 -0.293 -2.717 33 HG1 THR 5 1HG THR 5 7.490 2.359 -2.729 34 1HG2 THR 5 1HG2 THR 5 5.487 1.576 -1.547 35 2HG2 THR 5 2HG2 THR 5 5.996 0.266 -0.483 36 3HG2 THR 5 3HG2 THR 5 6.936 1.758 -0.556 37 H VAL 6 H VAL 6 7.443 -2.260 -2.398 38 HA VAL 6 HA VAL 6 9.376 -2.937 -4.527 39 HB VAL 6 HB VAL 6 7.806 -5.185 -3.599 40 1HG1 VAL 6 1HG1 VAL 6 9.783 -5.407 -4.970 41 2HG1 VAL 6 2HG1 VAL 6 10.781 -4.727 -3.685 42 3HG1 VAL 6 3HG1 VAL 6 9.986 -6.283 -3.451 43 1HG2 VAL 6 1HG2 VAL 6 7.907 -3.971 -1.431 44 2HG2 VAL 6 2HG2 VAL 6 8.698 -5.545 -1.409 45 3HG2 VAL 6 3HG2 VAL 6 9.667 -4.074 -1.503 46 H GLY 7 H GLY 7 7.911 -4.934 -5.667 47 1HA GLY 7 1HA GLY 7 6.338 -5.086 -7.388 48 2HA GLY 7 2HA GLY 7 5.263 -4.885 -6.033 49 H GLY 8 H GLY 8 3.770 -3.509 -6.369 50 1HA GLY 8 1HA GLY 8 2.560 -1.834 -7.423 51 2HA GLY 8 2HA GLY 8 3.711 -0.909 -6.493 52 H ASN 9 H ASN 9 4.075 0.793 -7.652 53 HA ASN 9 HA ASN 9 5.607 0.584 -10.057 54 1HB ASN 9 1HB ASN 9 4.073 1.963 -11.467 55 2HB ASN 9 2HB ASN 9 3.500 0.340 -11.154 56 1HD2 ASN 9 1HD2 ASN 9 1.443 2.590 -8.637 57 2HD2 ASN 9 2HD2 ASN 9 3.082 2.099 -8.416 58 H SER 10 H SER 10 5.954 1.628 -7.458 59 HA SER 10 HA SER 10 5.953 4.529 -7.811 60 1HB SER 10 1HB SER 10 6.933 4.085 -5.314 61 2HB SER 10 2HB SER 10 5.216 4.271 -5.671 62 HG SER 10 HG SER 10 6.387 2.194 -4.589 63 H GLY 11 H GLY 11 8.107 1.773 -7.316 64 1HA GLY 11 1HA GLY 11 10.331 1.639 -8.072 65 2HA GLY 11 2HA GLY 11 10.340 3.383 -8.294 66 H GLY 12 H GLY 12 10.155 4.651 -6.160 67 1HA GLY 12 1HA GLY 12 11.595 3.253 -4.004 68 2HA GLY 12 2HA GLY 12 12.233 4.756 -4.638 69 H ALA 13 H ALA 13 8.897 4.873 -4.732 70 HA ALA 13 HA ALA 13 8.796 6.812 -2.637 71 1HB ALA 13 1HB ALA 13 7.374 6.636 -4.821 72 2HB ALA 13 2HB ALA 13 6.332 5.616 -3.831 73 3HB ALA 13 3HB ALA 13 6.648 7.281 -3.346 74 HA PRO 14 HA PRO 14 7.674 4.040 0.632 75 1HB PRO 14 1HB PRO 14 6.943 5.820 2.495 76 2HB PRO 14 2HB PRO 14 8.616 5.723 1.926 77 1HG PRO 14 1HG PRO 14 6.488 7.700 1.245 78 2HG PRO 14 2HG PRO 14 8.227 7.953 1.464 79 1HD PRO 14 1HD PRO 14 6.919 7.679 -0.986 80 2HD PRO 14 2HD PRO 14 8.666 7.518 -0.721 81 H CYS 15 H CYS 15 5.832 3.597 2.181 82 HA CYS 15 HA CYS 15 3.298 3.964 0.750 83 1HB CYS 15 1HB CYS 15 4.111 2.075 2.977 84 2HB CYS 15 2HB CYS 15 2.446 2.263 2.436 85 H VAL 16 H VAL 16 2.164 5.706 1.365 86 HA VAL 16 HA VAL 16 2.624 7.045 3.841 87 HB VAL 16 HB VAL 16 0.379 7.481 1.862 88 1HG1 VAL 16 1HG1 VAL 16 0.246 8.467 4.250 89 2HG1 VAL 16 2HG1 VAL 16 1.519 9.561 3.699 90 3HG1 VAL 16 3HG1 VAL 16 -0.040 9.532 2.875 91 1HG2 VAL 16 1HG2 VAL 16 3.179 7.907 1.589 92 2HG2 VAL 16 2HG2 VAL 16 1.887 8.307 0.456 93 3HG2 VAL 16 3HG2 VAL 16 2.382 9.479 1.681 94 H PHE 17 H PHE 17 1.853 6.392 5.756 95 HA PHE 17 HA PHE 17 -0.759 5.061 5.823 96 1HB PHE 17 1HB PHE 17 1.640 4.808 7.623 97 2HB PHE 17 2HB PHE 17 0.057 4.192 8.052 98 HD1 PHE 17 1HD PHE 17 -1.036 2.721 6.026 99 HD2 PHE 17 2HD PHE 17 3.096 3.322 6.806 100 HE1 PHE 17 1HE PHE 17 -0.504 0.641 4.829 101 HE2 PHE 17 2HE PHE 17 3.645 1.252 5.617 102 HZ PHE 17 HZ PHE 17 1.853 -0.118 4.608 103 HA PRO 18 HA PRO 18 -2.132 4.528 7.056 104 1HB PRO 18 1HB PRO 18 -4.717 5.374 7.633 105 2HB PRO 18 2HB PRO 18 -3.637 4.543 8.752 106 1HG PRO 18 1HG PRO 18 -4.571 7.246 8.879 107 2HG PRO 18 2HG PRO 18 -3.481 6.419 9.997 108 1HD PRO 18 1HD PRO 18 -2.862 8.325 7.853 109 2HD PRO 18 2HD PRO 18 -1.878 7.834 9.246 110 H PHE 19 H PHE 19 -2.998 3.915 5.078 111 HA PHE 19 HA PHE 19 -3.933 6.149 3.399 112 1HB PHE 19 1HB PHE 19 -3.365 4.900 1.434 113 2HB PHE 19 2HB PHE 19 -1.975 4.876 2.498 114 HD1 PHE 19 1HD PHE 19 -1.398 2.770 3.717 115 HD2 PHE 19 2HD PHE 19 -4.440 2.927 0.743 116 HE1 PHE 19 1HE PHE 19 -1.264 0.326 3.444 117 HE2 PHE 19 2HE PHE 19 -4.312 0.488 0.475 118 HZ PHE 19 HZ PHE 19 -2.725 -0.818 1.818 119 H THR 20 H THR 20 -5.407 4.939 1.521 120 HA THR 20 HA THR 20 -7.384 3.302 2.906 121 HB THR 20 HB THR 20 -8.026 5.936 1.526 122 HG1 THR 20 1HG THR 20 -7.359 6.368 3.577 123 1HG2 THR 20 1HG2 THR 20 -9.945 4.070 2.887 124 2HG2 THR 20 2HG2 THR 20 -10.318 5.605 2.104 125 3HG2 THR 20 3HG2 THR 20 -9.768 4.235 1.140 126 H PHE 21 H PHE 21 -7.838 1.654 1.691 127 HA PHE 21 HA PHE 21 -7.660 1.913 -1.248 128 1HB PHE 21 1HB PHE 21 -6.021 0.281 -0.163 129 2HB PHE 21 2HB PHE 21 -7.413 -0.623 0.378 130 HD1 PHE 21 1HD PHE 21 -5.954 0.703 -2.794 131 HD2 PHE 21 2HD PHE 21 -8.227 -2.353 -0.904 132 HE1 PHE 21 1HE PHE 21 -5.909 -0.605 -4.862 133 HE2 PHE 21 2HE PHE 21 -8.189 -3.661 -2.974 134 HZ PHE 21 HZ PHE 21 -7.034 -2.792 -4.966 135 H LEU 22 H LEU 22 -9.400 1.333 -2.363 136 HA LEU 22 HA LEU 22 -11.620 1.155 -2.726 137 1HB LEU 22 1HB LEU 22 -10.311 -1.305 -1.794 138 2HB LEU 22 2HB LEU 22 -11.992 -1.384 -2.280 139 HG LEU 22 HG LEU 22 -10.352 -1.956 -4.069 140 1HD1 LEU 22 1HD1 LEU 22 -12.642 -0.405 -4.112 141 2HD1 LEU 22 2HD1 LEU 22 -11.511 0.330 -5.252 142 3HD1 LEU 22 3HD1 LEU 22 -11.963 -1.371 -5.420 143 1HD2 LEU 22 1HD2 LEU 22 -8.733 -0.132 -3.417 144 2HD2 LEU 22 2HD2 LEU 22 -9.067 -0.341 -5.138 145 3HD2 LEU 22 3HD2 LEU 22 -9.834 0.971 -4.238 146 H GLY 23 H GLY 23 -11.544 2.534 -0.456 147 1HA GLY 23 1HA GLY 23 -13.283 3.221 0.952 148 2HA GLY 23 2HA GLY 23 -13.983 1.624 0.836 149 H ASN 24 H ASN 24 -10.898 0.875 1.749 150 HA ASN 24 HA ASN 24 -11.665 1.099 4.585 151 1HB ASN 24 1HB ASN 24 -9.838 -0.920 3.278 152 2HB ASN 24 2HB ASN 24 -10.353 -0.912 4.955 153 1HD2 ASN 24 1HD2 ASN 24 -12.549 -2.698 2.174 154 2HD2 ASN 24 2HD2 ASN 24 -10.943 -2.114 1.927 155 H LYS 25 H LYS 25 -10.150 1.820 6.108 156 HA LYS 25 HA LYS 25 -7.900 3.265 5.049 157 1HB LYS 25 1HB LYS 25 -8.990 2.937 7.843 158 2HB LYS 25 2HB LYS 25 -7.749 4.060 7.351 159 1HG LYS 25 1HG LYS 25 -9.322 5.223 5.911 160 2HG LYS 25 2HG LYS 25 -10.582 4.078 6.371 161 1HD LYS 25 1HD LYS 25 -10.890 6.034 7.680 162 2HD LYS 25 2HD LYS 25 -10.237 4.777 8.738 163 1HE LYS 25 1HE LYS 25 -7.973 5.741 8.413 164 2HE LYS 25 2HE LYS 25 -8.694 7.039 7.463 165 1HZ LYS 25 1HZ LYS 25 -9.483 6.480 10.269 166 2HZ LYS 25 2HZ LYS 25 -8.227 7.550 9.861 167 3HZ LYS 25 3HZ LYS 25 -9.815 7.874 9.345 168 H TYR 26 H TYR 26 -5.825 2.498 5.121 169 HA TYR 26 HA TYR 26 -5.367 0.063 6.693 170 1HB TYR 26 1HB TYR 26 -4.081 0.944 4.110 171 2HB TYR 26 2HB TYR 26 -3.677 -0.517 5.003 172 HD1 TYR 26 1HD TYR 26 -6.167 1.124 2.897 173 HD2 TYR 26 2HD TYR 26 -5.186 -2.417 5.015 174 HE1 TYR 26 1HE TYR 26 -7.938 -0.062 1.714 175 HE2 TYR 26 2HE TYR 26 -6.961 -3.620 3.832 176 HH TYR 26 HH TYR 26 -8.494 -3.536 2.212 177 H GLU 27 H GLU 27 -4.129 0.327 8.320 178 HA GLU 27 HA GLU 27 -2.296 2.588 8.538 179 1HB GLU 27 1HB GLU 27 -2.968 0.506 10.603 180 2HB GLU 27 2HB GLU 27 -2.306 2.098 10.862 181 1HG GLU 27 1HG GLU 27 -4.360 3.155 10.353 182 2HG GLU 27 2HG GLU 27 -5.039 1.654 9.726 183 H SER 28 H SER 28 -2.357 -0.705 7.839 184 HA SER 28 HA SER 28 0.553 -0.882 8.016 185 1HB SER 28 1HB SER 28 0.126 -3.352 8.482 186 2HB SER 28 2HB SER 28 -0.232 -2.256 9.808 187 HG SER 28 HG SER 28 -1.971 -3.718 8.166 188 H CYS 29 H CYS 29 1.063 -3.106 6.643 189 HA CYS 29 HA CYS 29 0.286 -2.444 3.998 190 1HB CYS 29 1HB CYS 29 1.542 -4.995 5.003 191 2HB CYS 29 2HB CYS 29 1.442 -4.491 3.330 192 H THR 30 H THR 30 -0.782 -3.957 2.555 193 HA THR 30 HA THR 30 -2.826 -5.613 3.855 194 HB THR 30 HB THR 30 -3.828 -3.368 3.402 195 HG1 THR 30 1HG THR 30 -5.295 -4.966 3.260 196 1HG2 THR 30 1HG2 THR 30 -3.520 -3.941 0.472 197 2HG2 THR 30 2HG2 THR 30 -4.043 -2.456 1.265 198 3HG2 THR 30 3HG2 THR 30 -2.354 -2.956 1.354 199 H SER 31 H SER 31 -4.008 -6.899 2.203 200 HA SER 31 HA SER 31 -2.284 -7.570 -0.078 201 1HB SER 31 1HB SER 31 -3.215 -9.937 0.241 202 2HB SER 31 2HB SER 31 -2.031 -9.380 1.435 203 HG SER 31 HG SER 31 -4.768 -9.895 1.716 204 H ALA 32 H ALA 32 -4.592 -5.799 0.501 205 HA ALA 32 HA ALA 32 -6.987 -6.697 -0.623 206 1HB ALA 32 1HB ALA 32 -6.057 -4.354 0.549 207 2HB ALA 32 2HB ALA 32 -6.453 -3.873 -1.098 208 3HB ALA 32 3HB ALA 32 -7.683 -4.623 -0.083 209 H GLY 33 H GLY 33 -7.741 -6.873 -2.647 210 1HA GLY 33 1HA GLY 33 -7.827 -6.680 -4.954 211 2HA GLY 33 2HA GLY 33 -6.522 -5.506 -4.861 212 H ARG 34 H ARG 34 -5.330 -7.967 -3.150 213 HA ARG 34 HA ARG 34 -4.088 -9.167 -5.526 214 1HB ARG 34 1HB ARG 34 -2.993 -8.912 -2.715 215 2HB ARG 34 2HB ARG 34 -2.182 -9.691 -4.053 216 1HG ARG 34 1HG ARG 34 -2.586 -7.300 -5.160 217 2HG ARG 34 2HG ARG 34 -2.536 -6.822 -3.464 218 1HD ARG 34 1HD ARG 34 -0.316 -6.747 -4.571 219 2HD ARG 34 2HD ARG 34 -0.361 -7.846 -3.192 220 HE ARG 34 HE ARG 34 0.057 -9.587 -4.595 221 1HH1 ARG 34 1HH1 ARG 34 -1.004 -6.851 -6.487 222 2HH1 ARG 34 2HH1 ARG 34 -0.738 -7.635 -8.017 223 1HH2 ARG 34 1HH2 ARG 34 0.448 -10.624 -6.567 224 2HH2 ARG 34 2HH2 ARG 34 0.144 -9.785 -8.060 225 H SER 35 H SER 35 -4.094 -10.264 -2.185 226 HA SER 35 HA SER 35 -4.578 -12.244 -1.209 227 1HB SER 35 1HB SER 35 -6.753 -12.307 -3.320 228 2HB SER 35 2HB SER 35 -6.666 -13.384 -1.925 229 HG SER 35 HG SER 35 -7.955 -11.768 -1.243 230 H ASP 36 H ASP 36 -2.646 -12.145 -3.386 231 HA ASP 36 HA ASP 36 -2.845 -14.819 -4.546 232 1HB ASP 36 1HB ASP 36 -1.221 -14.065 -6.151 233 2HB ASP 36 2HB ASP 36 -2.456 -12.838 -6.018 234 H GLY 37 H GLY 37 -0.797 -12.688 -2.757 235 1HA GLY 37 1HA GLY 37 0.204 -14.471 -0.938 236 2HA GLY 37 2HA GLY 37 1.314 -14.552 -2.298 237 H LYS 38 H LYS 38 1.667 -12.075 -3.143 238 HA LYS 38 HA LYS 38 3.270 -10.881 -1.149 239 1HB LYS 38 1HB LYS 38 2.322 -9.805 -3.805 240 2HB LYS 38 2HB LYS 38 3.664 -9.179 -2.863 241 1HG LYS 38 1HG LYS 38 4.602 -10.445 -4.585 242 2HG LYS 38 2HG LYS 38 4.777 -11.415 -3.140 243 1HD LYS 38 1HD LYS 38 3.125 -12.926 -3.842 244 2HD LYS 38 2HD LYS 38 2.499 -11.809 -5.060 245 1HE LYS 38 1HE LYS 38 3.949 -13.774 -5.858 246 2HE LYS 38 2HE LYS 38 4.308 -12.165 -6.494 247 1HZ LYS 38 1HZ LYS 38 5.709 -13.093 -4.073 248 2HZ LYS 38 2HZ LYS 38 6.204 -13.683 -5.588 249 3HZ LYS 38 3HZ LYS 38 6.229 -12.012 -5.277 250 H MET 39 H MET 39 2.819 -9.263 0.257 251 HA MET 39 HA MET 39 0.203 -7.982 0.056 252 1HB MET 39 1HB MET 39 2.212 -8.002 2.328 253 2HB MET 39 2HB MET 39 0.712 -7.102 2.326 254 1HG MET 39 1HG MET 39 0.274 -9.006 3.595 255 2HG MET 39 2HG MET 39 -0.487 -9.293 2.032 256 1HE MET 39 1HE MET 39 -0.155 -11.483 4.073 257 2HE MET 39 2HE MET 39 -0.638 -12.027 2.465 258 3HE MET 39 3HE MET 39 0.684 -12.832 3.308 259 H TRP 40 H TRP 40 0.093 -5.642 0.227 260 HA TRP 40 HA TRP 40 2.578 -4.228 -0.473 261 1HB TRP 40 1HB TRP 40 1.391 -3.043 -2.293 262 2HB TRP 40 2HB TRP 40 1.466 -4.778 -2.598 263 HD1 TRP 40 HD1 TRP 40 -0.946 -6.128 -1.800 264 HE1 TRP 40 1HE TRP 40 -3.362 -5.321 -2.099 265 HE3 TRP 40 3HE TRP 40 -0.055 -1.159 -2.517 266 HZ2 TRP 40 2HZ TRP 40 -4.711 -2.909 -2.535 267 HZ3 TRP 40 3HZ TRP 40 -1.976 0.335 -2.838 268 HH2 TRP 40 HH2 TRP 40 -4.248 -0.524 -2.853 269 H CYS 41 H CYS 41 1.408 -1.782 -1.043 270 HA CYS 41 HA CYS 41 -0.517 -0.907 0.820 271 1HB CYS 41 1HB CYS 41 1.172 0.663 2.039 272 2HB CYS 41 2HB CYS 41 0.976 -0.993 2.602 273 H ALA 42 H ALA 42 -0.927 1.426 0.580 274 HA ALA 42 HA ALA 42 -0.330 2.264 -2.108 275 1HB ALA 42 1HB ALA 42 -2.535 2.610 -0.882 276 2HB ALA 42 2HB ALA 42 -1.731 3.942 -0.050 277 3HB ALA 42 3HB ALA 42 -1.906 3.975 -1.806 278 H THR 43 H THR 43 0.617 4.223 -2.718 279 HA THR 43 HA THR 43 2.685 5.125 -0.846 280 HB THR 43 HB THR 43 3.856 5.929 -2.867 281 HG1 THR 43 1HG THR 43 2.902 5.949 -4.756 282 1HG2 THR 43 1HG2 THR 43 3.901 3.549 -4.012 283 2HG2 THR 43 2HG2 THR 43 4.624 3.834 -2.427 284 3HG2 THR 43 3HG2 THR 43 3.022 3.103 -2.549 285 H THR 44 H THR 44 -0.284 5.901 -1.512 286 HA THR 44 HA THR 44 0.139 8.779 -1.159 287 HB THR 44 HB THR 44 -1.952 9.167 -2.481 288 HG1 THR 44 1HG THR 44 -3.092 7.509 -3.037 289 1HG2 THR 44 1HG2 THR 44 -0.779 8.018 -4.697 290 2HG2 THR 44 2HG2 THR 44 -0.506 9.651 -4.084 291 3HG2 THR 44 3HG2 THR 44 0.573 8.338 -3.608 292 H ALA 45 H ALA 45 -1.457 9.777 0.205 293 HA ALA 45 HA ALA 45 -2.278 8.206 2.370 294 1HB ALA 45 1HB ALA 45 -2.562 10.983 1.575 295 2HB ALA 45 2HB ALA 45 -3.976 10.389 2.445 296 3HB ALA 45 3HB ALA 45 -2.379 10.278 3.181 297 H ASN 46 H ASN 46 -3.985 9.119 -0.552 298 HA ASN 46 HA ASN 46 -6.144 7.293 0.256 299 1HB ASN 46 1HB ASN 46 -6.875 9.709 0.236 300 2HB ASN 46 2HB ASN 46 -6.505 9.749 -1.485 301 1HD2 ASN 46 1HD2 ASN 46 -10.014 8.425 -0.208 302 2HD2 ASN 46 2HD2 ASN 46 -8.861 9.245 0.778 303 H TYR 47 H TYR 47 -5.858 5.524 -0.916 304 HA TYR 47 HA TYR 47 -4.453 5.508 -3.406 305 1HB TYR 47 1HB TYR 47 -4.372 3.657 -1.734 306 2HB TYR 47 2HB TYR 47 -6.041 3.274 -2.133 307 HD1 TYR 47 1HD TYR 47 -6.559 2.499 -4.516 308 HD2 TYR 47 2HD TYR 47 -2.604 2.839 -3.005 309 HE1 TYR 47 1HE TYR 47 -5.744 1.008 -6.301 310 HE2 TYR 47 2HE TYR 47 -1.793 1.354 -4.768 311 HH TYR 47 HH TYR 47 -3.659 -0.609 -6.538 312 H ASP 48 H ASP 48 -7.831 5.356 -2.454 313 HA ASP 48 HA ASP 48 -9.023 4.470 -4.780 314 1HB ASP 48 1HB ASP 48 -9.897 6.405 -2.658 315 2HB ASP 48 2HB ASP 48 -10.913 6.128 -4.065 316 H ASP 49 H ASP 49 -7.674 7.610 -4.056 317 HA ASP 49 HA ASP 49 -8.732 8.885 -6.408 318 1HB ASP 49 1HB ASP 49 -6.851 9.719 -4.224 319 2HB ASP 49 2HB ASP 49 -7.084 10.718 -5.651 320 H ASP 50 H ASP 50 -5.379 8.248 -5.322 321 HA ASP 50 HA ASP 50 -4.438 8.793 -8.007 322 1HB ASP 50 1HB ASP 50 -3.028 8.361 -5.397 323 2HB ASP 50 2HB ASP 50 -2.153 8.482 -6.919 324 H ARG 51 H ARG 51 -5.052 5.941 -6.187 325 HA ARG 51 HA ARG 51 -4.522 3.778 -6.449 326 1HB ARG 51 1HB ARG 51 -4.812 4.581 -9.317 327 2HB ARG 51 2HB ARG 51 -4.941 2.939 -8.690 328 1HG ARG 51 1HG ARG 51 -6.638 4.267 -7.061 329 2HG ARG 51 2HG ARG 51 -6.847 5.156 -8.574 330 1HD ARG 51 1HD ARG 51 -6.936 2.167 -8.437 331 2HD ARG 51 2HD ARG 51 -8.359 3.161 -8.121 332 HE ARG 51 HE ARG 51 -8.453 3.751 -10.376 333 1HH1 ARG 51 1HH1 ARG 51 -5.688 1.693 -9.781 334 2HH1 ARG 51 2HH1 ARG 51 -5.288 1.523 -11.462 335 1HH2 ARG 51 1HH2 ARG 51 -7.947 3.514 -12.581 336 2HH2 ARG 51 2HH2 ARG 51 -6.570 2.572 -13.058 337 H LYS 52 H LYS 52 -2.208 5.092 -5.958 338 HA LYS 52 HA LYS 52 -0.294 3.727 -7.704 339 1HB LYS 52 1HB LYS 52 -0.046 6.253 -6.084 340 2HB LYS 52 2HB LYS 52 1.376 5.373 -6.638 341 1HG LYS 52 1HG LYS 52 1.159 6.110 -8.734 342 2HG LYS 52 2HG LYS 52 -0.577 5.815 -8.748 343 1HD LYS 52 1HD LYS 52 -0.252 8.150 -9.063 344 2HD LYS 52 2HD LYS 52 -0.863 7.919 -7.427 345 1HE LYS 52 1HE LYS 52 1.306 8.249 -6.481 346 2HE LYS 52 2HE LYS 52 2.063 8.210 -8.075 347 1HZ LYS 52 1HZ LYS 52 0.576 10.228 -8.554 348 2HZ LYS 52 2HZ LYS 52 0.408 10.346 -6.866 349 3HZ LYS 52 3HZ LYS 52 1.944 10.458 -7.577 350 H TRP 53 H TRP 53 0.673 2.055 -6.867 351 HA TRP 53 HA TRP 53 0.666 1.738 -3.949 352 1HB TRP 53 1HB TRP 53 -0.037 -0.544 -4.277 353 2HB TRP 53 2HB TRP 53 -1.155 0.539 -5.010 354 HD1 TRP 53 HD1 TRP 53 -0.562 0.881 -7.890 355 HE1 TRP 53 1HE TRP 53 -0.064 -1.065 -9.516 356 HE3 TRP 53 3HE TRP 53 0.670 -2.580 -4.480 357 HZ2 TRP 53 2HZ TRP 53 0.745 -3.794 -9.322 358 HZ3 TRP 53 3HZ TRP 53 1.294 -4.868 -5.218 359 HH2 TRP 53 HH2 TRP 53 1.329 -5.453 -7.600 360 H GLY 54 H GLY 54 1.894 -0.171 -3.263 361 1HA GLY 54 1HA GLY 54 4.189 -1.002 -4.791 362 2HA GLY 54 2HA GLY 54 4.583 0.101 -3.478 363 H PHE 55 H PHE 55 5.156 -2.830 -3.870 364 HA PHE 55 HA PHE 55 3.574 -4.345 -2.100 365 1HB PHE 55 1HB PHE 55 6.291 -4.667 -3.305 366 2HB PHE 55 2HB PHE 55 5.761 -5.770 -2.051 367 HD1 PHE 55 1HD PHE 55 2.825 -5.010 -3.599 368 HD2 PHE 55 2HD PHE 55 6.489 -7.030 -4.363 369 HE1 PHE 55 1HE PHE 55 1.696 -6.409 -5.285 370 HE2 PHE 55 2HE PHE 55 5.370 -8.434 -6.050 371 HZ PHE 55 HZ PHE 55 2.972 -8.120 -6.521 372 H CYS 56 H CYS 56 4.274 -5.329 -0.122 373 HA CYS 56 HA CYS 56 5.412 -3.402 1.730 374 1HB CYS 56 1HB CYS 56 3.338 -4.912 2.130 375 2HB CYS 56 2HB CYS 56 4.497 -6.219 2.334 376 HA PRO 57 HA PRO 57 9.452 -5.235 1.516 377 1HB PRO 57 1HB PRO 57 10.480 -4.761 3.924 378 2HB PRO 57 2HB PRO 57 10.127 -3.439 2.800 379 1HG PRO 57 1HG PRO 57 8.408 -4.548 4.964 380 2HG PRO 57 2HG PRO 57 8.910 -2.856 4.752 381 1HD PRO 57 1HD PRO 57 6.528 -3.653 3.896 382 2HD PRO 57 2HD PRO 57 7.517 -2.595 2.860 383 H ASP 58 H ASP 58 10.832 -6.295 3.741 384 HA ASP 58 HA ASP 58 10.315 -8.997 3.497 385 1HB ASP 58 1HB ASP 58 11.767 -7.476 5.668 386 2HB ASP 58 2HB ASP 58 11.825 -9.216 5.466 387 H GLN 59 H GLN 59 9.063 -10.430 4.557 388 HA GLN 59 HA GLN 59 6.967 -9.408 6.250 389 1HB GLN 59 1HB GLN 59 7.560 -12.270 5.457 390 2HB GLN 59 2HB GLN 59 6.060 -11.668 6.152 391 1HG GLN 59 1HG GLN 59 7.174 -10.792 3.501 392 2HG GLN 59 2HG GLN 59 5.968 -12.061 3.707 393 1HE2 GLN 59 1HE2 GLN 59 4.857 -8.281 3.438 394 2HE2 GLN 59 2HE2 GLN 59 6.422 -8.892 3.032 395 H GLY 60 H GLY 60 7.804 -8.813 8.223 396 1HA GLY 60 1HA GLY 60 7.840 -10.374 10.366 397 2HA GLY 60 2HA GLY 60 9.442 -10.707 9.719 Start of MODEL 5 1 H SER 1 1H SER 1 18.323 -1.041 4.888 2 HA SER 1 HA SER 1 16.520 -0.090 6.932 3 1HB SER 1 1HB SER 1 17.217 2.069 5.782 4 2HB SER 1 2HB SER 1 18.533 1.143 6.500 5 HG SER 1 HG SER 1 19.057 1.848 4.375 6 H TRP 2 H TRP 2 14.717 1.291 6.329 7 HA TRP 2 HA TRP 2 13.185 0.129 4.168 8 1HB TRP 2 1HB TRP 2 12.285 0.812 6.477 9 2HB TRP 2 2HB TRP 2 12.358 2.469 5.886 10 HD1 TRP 2 HD1 TRP 2 10.992 2.588 3.252 11 HE1 TRP 2 1HE TRP 2 8.583 1.786 2.837 12 HE3 TRP 2 3HE TRP 2 10.490 -0.550 7.236 13 HZ2 TRP 2 2HZ TRP 2 6.712 0.054 4.044 14 HZ3 TRP 2 3HZ TRP 2 8.361 -1.743 7.545 15 HH2 TRP 2 HH2 TRP 2 6.511 -1.444 5.981 16 H MET 3 H MET 3 14.349 0.822 2.331 17 HA MET 3 HA MET 3 14.356 3.713 1.825 18 1HB MET 3 1HB MET 3 15.855 1.450 0.506 19 2HB MET 3 2HB MET 3 15.900 3.114 -0.054 20 1HG MET 3 1HG MET 3 16.851 3.800 2.100 21 2HG MET 3 2HG MET 3 16.815 2.119 2.632 22 1HE MET 3 1HE MET 3 17.417 3.560 -0.770 23 2HE MET 3 2HE MET 3 18.697 4.579 -0.107 24 3HE MET 3 3HE MET 3 19.103 3.219 -1.158 25 H SER 4 H SER 4 12.296 4.110 1.102 26 HA SER 4 HA SER 4 10.550 4.231 -0.353 27 1HB SER 4 1HB SER 4 12.434 4.501 -2.013 28 2HB SER 4 2HB SER 4 12.346 2.766 -2.306 29 HG SER 4 HG SER 4 10.980 3.431 -3.791 30 H THR 5 H THR 5 9.731 2.367 -2.316 31 HA THR 5 HA THR 5 8.958 0.130 -0.572 32 HB THR 5 HB THR 5 7.109 -0.012 -2.470 33 HG1 THR 5 1HG THR 5 7.573 2.771 -2.449 34 1HG2 THR 5 1HG2 THR 5 5.685 1.606 -1.229 35 2HG2 THR 5 2HG2 THR 5 6.434 0.362 -0.227 36 3HG2 THR 5 3HG2 THR 5 7.090 2.001 -0.241 37 H VAL 6 H VAL 6 8.024 -1.674 -2.140 38 HA VAL 6 HA VAL 6 9.936 -2.355 -4.233 39 HB VAL 6 HB VAL 6 10.762 -3.796 -2.639 40 1HG1 VAL 6 1HG1 VAL 6 8.189 -3.352 -1.293 41 2HG1 VAL 6 2HG1 VAL 6 8.903 -4.945 -1.029 42 3HG1 VAL 6 3HG1 VAL 6 9.811 -3.492 -0.613 43 1HG2 VAL 6 1HG2 VAL 6 8.530 -5.116 -4.003 44 2HG2 VAL 6 2HG2 VAL 6 10.249 -5.516 -3.980 45 3HG2 VAL 6 3HG2 VAL 6 9.220 -5.962 -2.619 46 H GLY 7 H GLY 7 8.764 -3.990 -5.728 47 1HA GLY 7 1HA GLY 7 6.781 -4.609 -6.833 48 2HA GLY 7 2HA GLY 7 5.992 -4.412 -5.295 49 H GLY 8 H GLY 8 4.187 -3.519 -6.385 50 1HA GLY 8 1HA GLY 8 2.873 -1.810 -7.167 51 2HA GLY 8 2HA GLY 8 3.880 -0.826 -6.139 52 H ASN 9 H ASN 9 3.667 0.930 -7.430 53 HA ASN 9 HA ASN 9 5.519 1.086 -9.646 54 1HB ASN 9 1HB ASN 9 3.909 2.044 -11.227 55 2HB ASN 9 2HB ASN 9 3.462 0.407 -10.802 56 1HD2 ASN 9 1HD2 ASN 9 1.029 2.597 -8.596 57 2HD2 ASN 9 2HD2 ASN 9 2.671 2.209 -8.223 58 H SER 10 H SER 10 5.325 2.097 -6.978 59 HA SER 10 HA SER 10 4.406 4.678 -6.683 60 1HB SER 10 1HB SER 10 6.742 4.565 -5.179 61 2HB SER 10 2HB SER 10 5.134 4.101 -4.636 62 HG SER 10 HG SER 10 6.520 2.369 -4.315 63 H GLY 11 H GLY 11 7.683 3.664 -7.629 64 1HA GLY 11 1HA GLY 11 9.144 4.775 -9.081 65 2HA GLY 11 2HA GLY 11 8.002 6.116 -9.164 66 H GLY 12 H GLY 12 9.474 4.535 -6.360 67 1HA GLY 12 1HA GLY 12 11.079 5.363 -4.876 68 2HA GLY 12 2HA GLY 12 11.143 6.845 -5.812 69 H ALA 13 H ALA 13 8.746 5.074 -3.838 70 HA ALA 13 HA ALA 13 8.349 7.467 -2.235 71 1HB ALA 13 1HB ALA 13 6.666 7.013 -4.387 72 2HB ALA 13 2HB ALA 13 5.763 6.392 -3.006 73 3HB ALA 13 3HB ALA 13 6.339 8.061 -3.010 74 HA PRO 14 HA PRO 14 7.639 4.240 0.749 75 1HB PRO 14 1HB PRO 14 7.098 5.759 2.885 76 2HB PRO 14 2HB PRO 14 8.711 5.728 2.165 77 1HG PRO 14 1HG PRO 14 6.594 7.803 1.978 78 2HG PRO 14 2HG PRO 14 8.355 7.987 2.001 79 1HD PRO 14 1HD PRO 14 6.694 8.032 -0.269 80 2HD PRO 14 2HD PRO 14 8.462 7.898 -0.264 81 H CYS 15 H CYS 15 5.874 3.881 2.621 82 HA CYS 15 HA CYS 15 3.327 3.957 1.213 83 1HB CYS 15 1HB CYS 15 3.651 2.813 3.979 84 2HB CYS 15 2HB CYS 15 2.576 2.307 2.684 85 H VAL 16 H VAL 16 1.851 5.514 1.574 86 HA VAL 16 HA VAL 16 2.219 7.373 3.767 87 HB VAL 16 HB VAL 16 0.201 7.319 1.514 88 1HG1 VAL 16 1HG1 VAL 16 0.363 8.980 3.938 89 2HG1 VAL 16 2HG1 VAL 16 0.145 9.866 2.425 90 3HG1 VAL 16 3HG1 VAL 16 -1.014 8.622 2.896 91 1HG2 VAL 16 1HG2 VAL 16 2.832 8.640 1.939 92 2HG2 VAL 16 2HG2 VAL 16 2.145 7.934 0.476 93 3HG2 VAL 16 3HG2 VAL 16 1.593 9.512 1.039 94 H PHE 17 H PHE 17 1.457 6.789 5.717 95 HA PHE 17 HA PHE 17 -1.137 5.424 5.823 96 1HB PHE 17 1HB PHE 17 1.247 5.244 7.656 97 2HB PHE 17 2HB PHE 17 -0.340 4.647 8.096 98 HD1 PHE 17 1HD PHE 17 -1.388 3.160 5.998 99 HD2 PHE 17 2HD PHE 17 2.696 3.653 7.059 100 HE1 PHE 17 1HE PHE 17 -0.842 1.023 4.916 101 HE2 PHE 17 2HE PHE 17 3.262 1.525 5.989 102 HZ PHE 17 HZ PHE 17 1.486 0.178 4.890 103 HA PRO 18 HA PRO 18 -2.602 4.985 6.966 104 1HB PRO 18 1HB PRO 18 -5.172 6.020 7.478 105 2HB PRO 18 2HB PRO 18 -4.203 5.020 8.564 106 1HG PRO 18 1HG PRO 18 -4.926 7.712 8.958 107 2HG PRO 18 2HG PRO 18 -3.724 6.799 9.882 108 1HD PRO 18 1HD PRO 18 -3.338 8.747 7.665 109 2HD PRO 18 2HD PRO 18 -2.289 8.387 9.054 110 H PHE 19 H PHE 19 -3.365 4.383 4.982 111 HA PHE 19 HA PHE 19 -4.260 6.586 3.252 112 1HB PHE 19 1HB PHE 19 -3.637 5.272 1.324 113 2HB PHE 19 2HB PHE 19 -2.274 5.391 2.412 114 HD1 PHE 19 1HD PHE 19 -4.825 3.142 1.022 115 HD2 PHE 19 2HD PHE 19 -1.326 3.453 3.416 116 HE1 PHE 19 1HE PHE 19 -4.507 0.711 0.868 117 HE2 PHE 19 2HE PHE 19 -1.008 1.018 3.270 118 HZ PHE 19 HZ PHE 19 -2.598 -0.352 1.987 119 H THR 20 H THR 20 -5.650 5.190 1.316 120 HA THR 20 HA THR 20 -7.695 3.734 2.823 121 HB THR 20 HB THR 20 -8.310 6.171 1.120 122 HG1 THR 20 1HG THR 20 -7.434 6.817 3.082 123 1HG2 THR 20 1HG2 THR 20 -10.563 6.011 2.077 124 2HG2 THR 20 2HG2 THR 20 -10.156 4.634 1.052 125 3HG2 THR 20 3HG2 THR 20 -10.120 4.469 2.807 126 H PHE 21 H PHE 21 -8.475 2.086 1.760 127 HA PHE 21 HA PHE 21 -8.436 2.095 -1.179 128 1HB PHE 21 1HB PHE 21 -6.539 0.708 -0.047 129 2HB PHE 21 2HB PHE 21 -7.829 -0.388 0.397 130 HD1 PHE 21 1HD PHE 21 -8.386 1.243 -2.757 131 HD2 PHE 21 2HD PHE 21 -6.496 -2.064 -0.878 132 HE1 PHE 21 1HE PHE 21 -8.201 0.110 -4.913 133 HE2 PHE 21 2HE PHE 21 -6.308 -3.205 -3.029 134 HZ PHE 21 HZ PHE 21 -7.151 -2.107 -5.079 135 H LEU 22 H LEU 22 -10.200 1.064 -2.076 136 HA LEU 22 HA LEU 22 -12.390 0.686 -2.254 137 1HB LEU 22 1HB LEU 22 -11.306 -1.391 -0.458 138 2HB LEU 22 2HB LEU 22 -12.843 -1.570 -1.286 139 HG LEU 22 HG LEU 22 -11.654 -2.491 -2.939 140 1HD1 LEU 22 1HD1 LEU 22 -10.459 0.169 -3.282 141 2HD1 LEU 22 2HD1 LEU 22 -10.256 -1.168 -4.416 142 3HD1 LEU 22 3HD1 LEU 22 -11.861 -0.500 -4.110 143 1HD2 LEU 22 1HD2 LEU 22 -9.942 -2.749 -1.069 144 2HD2 LEU 22 2HD2 LEU 22 -9.541 -3.149 -2.740 145 3HD2 LEU 22 3HD2 LEU 22 -9.032 -1.608 -2.064 146 H GLY 23 H GLY 23 -11.922 2.658 -0.234 147 1HA GLY 23 1HA GLY 23 -13.455 3.819 1.079 148 2HA GLY 23 2HA GLY 23 -14.428 2.367 1.199 149 H ASN 24 H ASN 24 -11.463 1.245 2.079 150 HA ASN 24 HA ASN 24 -12.065 1.804 4.904 151 1HB ASN 24 1HB ASN 24 -10.523 -0.447 3.613 152 2HB ASN 24 2HB ASN 24 -10.788 -0.269 5.337 153 1HD2 ASN 24 1HD2 ASN 24 -13.499 -2.032 3.027 154 2HD2 ASN 24 2HD2 ASN 24 -11.909 -1.602 2.517 155 H LYS 25 H LYS 25 -10.548 2.707 6.242 156 HA LYS 25 HA LYS 25 -8.253 3.940 5.077 157 1HB LYS 25 1HB LYS 25 -9.083 3.710 7.972 158 2HB LYS 25 2HB LYS 25 -8.046 4.917 7.254 159 1HG LYS 25 1HG LYS 25 -9.896 5.867 6.026 160 2HG LYS 25 2HG LYS 25 -10.956 4.585 6.609 161 1HD LYS 25 1HD LYS 25 -10.595 5.369 8.912 162 2HD LYS 25 2HD LYS 25 -9.610 6.695 8.289 163 1HE LYS 25 1HE LYS 25 -12.541 6.194 7.787 164 2HE LYS 25 2HE LYS 25 -11.834 7.513 8.717 165 1HZ LYS 25 1HZ LYS 25 -10.761 8.278 6.635 166 2HZ LYS 25 2HZ LYS 25 -11.616 7.077 5.787 167 3HZ LYS 25 3HZ LYS 25 -12.458 8.321 6.571 168 H TYR 26 H TYR 26 -6.268 2.980 4.926 169 HA TYR 26 HA TYR 26 -5.806 0.612 6.589 170 1HB TYR 26 1HB TYR 26 -4.569 1.436 3.963 171 2HB TYR 26 2HB TYR 26 -4.100 0.016 4.885 172 HD1 TYR 26 1HD TYR 26 -7.403 0.081 5.561 173 HD2 TYR 26 2HD TYR 26 -4.849 -0.500 2.223 174 HE1 TYR 26 1HE TYR 26 -9.155 -1.200 4.448 175 HE2 TYR 26 2HE TYR 26 -6.592 -1.794 1.101 176 HH TYR 26 HH TYR 26 -9.473 -1.729 1.499 177 H GLU 27 H GLU 27 -4.682 0.978 8.261 178 HA GLU 27 HA GLU 27 -2.761 3.143 8.391 179 1HB GLU 27 1HB GLU 27 -3.766 1.241 10.493 180 2HB GLU 27 2HB GLU 27 -2.753 2.632 10.786 181 1HG GLU 27 1HG GLU 27 -4.538 4.097 9.940 182 2HG GLU 27 2HG GLU 27 -5.558 2.679 9.708 183 H SER 28 H SER 28 -2.868 -0.203 7.900 184 HA SER 28 HA SER 28 0.045 -0.352 8.128 185 1HB SER 28 1HB SER 28 -0.409 -2.814 8.724 186 2HB SER 28 2HB SER 28 -0.691 -1.618 9.985 187 HG SER 28 HG SER 28 -2.651 -2.344 10.049 188 H CYS 29 H CYS 29 0.524 -2.738 6.943 189 HA CYS 29 HA CYS 29 0.022 -2.219 4.227 190 1HB CYS 29 1HB CYS 29 0.895 -4.778 5.558 191 2HB CYS 29 2HB CYS 29 0.910 -4.496 3.834 192 H THR 30 H THR 30 -0.984 -3.828 2.769 193 HA THR 30 HA THR 30 -3.263 -5.260 3.870 194 HB THR 30 HB THR 30 -4.125 -2.932 3.389 195 HG1 THR 30 1HG THR 30 -5.624 -4.533 3.170 196 1HG2 THR 30 1HG2 THR 30 -4.332 -3.025 0.594 197 2HG2 THR 30 2HG2 THR 30 -3.443 -1.859 1.579 198 3HG2 THR 30 3HG2 THR 30 -2.628 -3.301 0.971 199 H SER 31 H SER 31 -4.399 -6.400 2.058 200 HA SER 31 HA SER 31 -2.583 -7.062 -0.143 201 1HB SER 31 1HB SER 31 -3.320 -9.452 0.085 202 2HB SER 31 2HB SER 31 -2.382 -8.869 1.471 203 HG SER 31 HG SER 31 -4.113 -9.816 2.400 204 H ALA 32 H ALA 32 -4.985 -5.386 0.506 205 HA ALA 32 HA ALA 32 -7.317 -6.330 -0.708 206 1HB ALA 32 1HB ALA 32 -6.435 -3.937 0.499 207 2HB ALA 32 2HB ALA 32 -6.973 -3.492 -1.122 208 3HB ALA 32 3HB ALA 32 -8.073 -4.324 -0.027 209 H GLY 33 H GLY 33 -8.062 -6.355 -2.751 210 1HA GLY 33 1HA GLY 33 -8.112 -6.041 -5.041 211 2HA GLY 33 2HA GLY 33 -6.760 -4.927 -4.878 212 H ARG 34 H ARG 34 -5.603 -7.440 -3.278 213 HA ARG 34 HA ARG 34 -4.444 -8.638 -5.695 214 1HB ARG 34 1HB ARG 34 -3.286 -8.642 -2.912 215 2HB ARG 34 2HB ARG 34 -2.503 -9.152 -4.382 216 1HG ARG 34 1HG ARG 34 -3.030 -6.595 -5.011 217 2HG ARG 34 2HG ARG 34 -2.872 -6.456 -3.264 218 1HD ARG 34 1HD ARG 34 -0.735 -6.087 -4.446 219 2HD ARG 34 2HD ARG 34 -0.645 -7.465 -3.328 220 HE ARG 34 HE ARG 34 -0.287 -8.848 -5.069 221 1HH1 ARG 34 1HH1 ARG 34 -1.605 -5.824 -6.324 222 2HH1 ARG 34 2HH1 ARG 34 -1.319 -6.247 -7.991 223 1HH2 ARG 34 1HH2 ARG 34 0.081 -9.371 -7.265 224 2HH2 ARG 34 2HH2 ARG 34 -0.374 -8.261 -8.518 225 H SER 35 H SER 35 -5.697 -9.313 -2.476 226 HA SER 35 HA SER 35 -6.709 -11.165 -1.581 227 1HB SER 35 1HB SER 35 -6.123 -12.541 -4.229 228 2HB SER 35 2HB SER 35 -7.073 -13.230 -2.912 229 HG SER 35 HG SER 35 -7.858 -11.575 -4.879 230 H ASP 36 H ASP 36 -3.997 -12.095 -3.680 231 HA ASP 36 HA ASP 36 -2.471 -12.844 -1.332 232 1HB ASP 36 1HB ASP 36 -1.397 -14.549 -3.002 233 2HB ASP 36 2HB ASP 36 -2.886 -14.969 -2.177 234 H GLY 37 H GLY 37 -1.158 -13.281 -4.407 235 1HA GLY 37 1HA GLY 37 0.802 -12.303 -5.278 236 2HA GLY 37 2HA GLY 37 -0.436 -11.132 -5.685 237 H LYS 38 H LYS 38 1.179 -11.854 -2.715 238 HA LYS 38 HA LYS 38 2.442 -10.807 -1.210 239 1HB LYS 38 1HB LYS 38 2.767 -8.914 -3.460 240 2HB LYS 38 2HB LYS 38 3.897 -9.178 -2.121 241 1HG LYS 38 1HG LYS 38 3.098 -11.340 -4.008 242 2HG LYS 38 2HG LYS 38 4.411 -10.286 -4.341 243 1HD LYS 38 1HD LYS 38 4.220 -11.942 -1.860 244 2HD LYS 38 2HD LYS 38 5.092 -12.445 -3.309 245 1HE LYS 38 1HE LYS 38 6.596 -10.561 -3.106 246 2HE LYS 38 2HE LYS 38 5.681 -9.945 -1.729 247 1HZ LYS 38 1HZ LYS 38 7.022 -12.602 -1.748 248 2HZ LYS 38 2HZ LYS 38 7.755 -11.189 -1.147 249 3HZ LYS 38 3HZ LYS 38 6.346 -11.800 -0.413 250 H MET 39 H MET 39 2.287 -9.212 0.341 251 HA MET 39 HA MET 39 -0.088 -7.576 0.215 252 1HB MET 39 1HB MET 39 2.025 -7.873 2.360 253 2HB MET 39 2HB MET 39 0.580 -6.900 2.512 254 1HG MET 39 1HG MET 39 -0.769 -8.963 2.177 255 2HG MET 39 2HG MET 39 0.737 -9.881 2.230 256 1HE MET 39 1HE MET 39 -1.160 -10.879 3.703 257 2HE MET 39 2HE MET 39 -0.177 -11.243 5.123 258 3HE MET 39 3HE MET 39 -1.641 -10.273 5.290 259 H TRP 40 H TRP 40 -0.075 -5.293 0.352 260 HA TRP 40 HA TRP 40 2.489 -4.008 -0.281 261 1HB TRP 40 1HB TRP 40 1.358 -2.680 -2.035 262 2HB TRP 40 2HB TRP 40 1.366 -4.404 -2.408 263 HD1 TRP 40 HD1 TRP 40 -1.107 -5.694 -1.783 264 HE1 TRP 40 1HE TRP 40 -3.494 -4.768 -2.029 265 HE3 TRP 40 3HE TRP 40 -0.020 -0.722 -2.043 266 HZ2 TRP 40 2HZ TRP 40 -4.740 -2.263 -2.260 267 HZ3 TRP 40 3HZ TRP 40 -1.874 0.885 -2.250 268 HH2 TRP 40 HH2 TRP 40 -4.186 0.123 -2.364 269 H CYS 41 H CYS 41 1.805 -1.514 -0.658 270 HA CYS 41 HA CYS 41 0.012 -0.512 1.392 271 1HB CYS 41 1HB CYS 41 1.796 0.903 2.389 272 2HB CYS 41 2HB CYS 41 2.085 -0.814 2.649 273 H ALA 42 H ALA 42 -0.754 1.545 0.819 274 HA ALA 42 HA ALA 42 -0.206 2.351 -1.878 275 1HB ALA 42 1HB ALA 42 -2.152 3.077 0.177 276 2HB ALA 42 2HB ALA 42 -1.620 4.439 -0.807 277 3HB ALA 42 3HB ALA 42 -2.323 3.016 -1.577 278 H THR 43 H THR 43 0.654 4.345 -2.560 279 HA THR 43 HA THR 43 2.528 5.487 -0.610 280 HB THR 43 HB THR 43 3.922 6.100 -2.537 281 HG1 THR 43 1HG THR 43 3.092 6.128 -4.456 282 1HG2 THR 43 1HG2 THR 43 3.403 3.336 -3.290 283 2HG2 THR 43 2HG2 THR 43 4.854 4.080 -2.623 284 3HG2 THR 43 3HG2 THR 43 3.550 3.573 -1.547 285 H THR 44 H THR 44 -0.360 6.073 -1.377 286 HA THR 44 HA THR 44 -0.067 8.979 -1.406 287 HB THR 44 HB THR 44 -2.074 9.130 -2.902 288 HG1 THR 44 1HG THR 44 -3.112 7.366 -3.275 289 1HG2 THR 44 1HG2 THR 44 -0.875 8.141 -4.993 290 2HG2 THR 44 2HG2 THR 44 -0.229 9.559 -4.167 291 3HG2 THR 44 3HG2 THR 44 0.480 7.968 -3.877 292 H ALA 45 H ALA 45 -1.770 10.064 -0.270 293 HA ALA 45 HA ALA 45 -2.716 8.766 2.004 294 1HB ALA 45 1HB ALA 45 -2.738 11.373 1.034 295 2HB ALA 45 2HB ALA 45 -4.433 10.980 1.320 296 3HB ALA 45 3HB ALA 45 -3.260 10.823 2.628 297 H ASN 46 H ASN 46 -4.361 9.390 -1.065 298 HA ASN 46 HA ASN 46 -6.460 7.513 -0.201 299 1HB ASN 46 1HB ASN 46 -7.253 9.884 -0.580 300 2HB ASN 46 2HB ASN 46 -6.803 9.687 -2.269 301 1HD2 ASN 46 1HD2 ASN 46 -10.314 8.417 -0.946 302 2HD2 ASN 46 2HD2 ASN 46 -9.237 9.417 -0.051 303 H TYR 47 H TYR 47 -5.892 5.632 -1.078 304 HA TYR 47 HA TYR 47 -4.374 5.456 -3.476 305 1HB TYR 47 1HB TYR 47 -4.177 3.788 -1.661 306 2HB TYR 47 2HB TYR 47 -5.817 3.243 -2.016 307 HD1 TYR 47 1HD TYR 47 -2.461 3.649 -3.561 308 HD2 TYR 47 2HD TYR 47 -6.188 1.605 -3.635 309 HE1 TYR 47 1HE TYR 47 -1.591 2.134 -5.284 310 HE2 TYR 47 2HE TYR 47 -5.321 0.082 -5.351 311 HH TYR 47 HH TYR 47 -3.189 0.497 -7.258 312 H ASP 48 H ASP 48 -7.789 5.064 -2.728 313 HA ASP 48 HA ASP 48 -8.637 3.774 -5.007 314 1HB ASP 48 1HB ASP 48 -10.001 5.797 -3.255 315 2HB ASP 48 2HB ASP 48 -10.819 5.059 -4.628 316 H ASP 49 H ASP 49 -8.018 7.220 -4.563 317 HA ASP 49 HA ASP 49 -8.944 7.846 -7.218 318 1HB ASP 49 1HB ASP 49 -7.842 9.442 -4.950 319 2HB ASP 49 2HB ASP 49 -7.924 10.151 -6.556 320 H ASP 50 H ASP 50 -5.737 7.951 -5.613 321 HA ASP 50 HA ASP 50 -4.479 8.630 -8.119 322 1HB ASP 50 1HB ASP 50 -3.402 8.130 -5.357 323 2HB ASP 50 2HB ASP 50 -2.339 8.358 -6.741 324 H ARG 51 H ARG 51 -4.815 5.725 -6.202 325 HA ARG 51 HA ARG 51 -4.224 3.601 -6.499 326 1HB ARG 51 1HB ARG 51 -4.517 4.392 -9.377 327 2HB ARG 51 2HB ARG 51 -4.428 2.732 -8.787 328 1HG ARG 51 1HG ARG 51 -6.326 4.089 -7.222 329 2HG ARG 51 2HG ARG 51 -6.699 4.430 -8.916 330 1HD ARG 51 1HD ARG 51 -6.203 1.697 -7.784 331 2HD ARG 51 2HD ARG 51 -7.804 2.412 -7.956 332 HE ARG 51 HE ARG 51 -6.253 1.182 -10.005 333 1HH1 ARG 51 1HH1 ARG 51 -8.587 3.707 -9.401 334 2HH1 ARG 51 2HH1 ARG 51 -9.124 3.808 -11.051 335 1HH2 ARG 51 1HH2 ARG 51 -6.928 1.298 -12.174 336 2HH2 ARG 51 2HH2 ARG 51 -8.171 2.416 -12.641 337 H LYS 52 H LYS 52 -2.022 5.057 -5.887 338 HA LYS 52 HA LYS 52 0.040 3.769 -7.531 339 1HB LYS 52 1HB LYS 52 0.109 6.354 -5.999 340 2HB LYS 52 2HB LYS 52 1.599 5.471 -6.301 341 1HG LYS 52 1HG LYS 52 0.920 5.527 -8.772 342 2HG LYS 52 2HG LYS 52 -0.260 6.744 -8.283 343 1HD LYS 52 1HD LYS 52 2.703 6.945 -7.726 344 2HD LYS 52 2HD LYS 52 1.922 7.667 -9.132 345 1HE LYS 52 1HE LYS 52 1.123 8.277 -6.289 346 2HE LYS 52 2HE LYS 52 2.312 9.219 -7.191 347 1HZ LYS 52 1HZ LYS 52 -0.380 8.750 -8.309 348 2HZ LYS 52 2HZ LYS 52 -0.129 9.984 -7.169 349 3HZ LYS 52 3HZ LYS 52 0.714 10.002 -8.646 350 H TRP 53 H TRP 53 0.871 2.074 -6.632 351 HA TRP 53 HA TRP 53 0.888 1.865 -3.702 352 1HB TRP 53 1HB TRP 53 0.191 -0.438 -3.942 353 2HB TRP 53 2HB TRP 53 -0.944 0.614 -4.711 354 HD1 TRP 53 HD1 TRP 53 -0.475 0.796 -7.596 355 HE1 TRP 53 1HE TRP 53 0.044 -1.218 -9.138 356 HE3 TRP 53 3HE TRP 53 1.082 -2.409 -4.060 357 HZ2 TRP 53 2HZ TRP 53 1.032 -3.879 -8.831 358 HZ3 TRP 53 3HZ TRP 53 1.828 -4.692 -4.707 359 HH2 TRP 53 HH2 TRP 53 1.799 -5.403 -7.056 360 H GLY 54 H GLY 54 2.065 -0.090 -2.978 361 1HA GLY 54 1HA GLY 54 4.383 -0.949 -4.457 362 2HA GLY 54 2HA GLY 54 4.766 0.155 -3.135 363 H PHE 55 H PHE 55 5.190 -2.826 -3.582 364 HA PHE 55 HA PHE 55 3.597 -4.251 -1.748 365 1HB PHE 55 1HB PHE 55 6.275 -4.706 -3.025 366 2HB PHE 55 2HB PHE 55 5.683 -5.800 -1.789 367 HD1 PHE 55 1HD PHE 55 2.765 -5.710 -2.560 368 HD2 PHE 55 2HD PHE 55 6.304 -6.169 -4.876 369 HE1 PHE 55 1HE PHE 55 1.517 -7.074 -4.187 370 HE2 PHE 55 2HE PHE 55 5.050 -7.519 -6.516 371 HZ PHE 55 HZ PHE 55 2.661 -7.954 -6.183 372 H CYS 56 H CYS 56 4.422 -5.292 0.224 373 HA CYS 56 HA CYS 56 5.931 -3.392 1.866 374 1HB CYS 56 1HB CYS 56 3.918 -5.550 2.553 375 2HB CYS 56 2HB CYS 56 4.951 -4.802 3.782 376 HA PRO 57 HA PRO 57 9.404 -6.107 2.154 377 1HB PRO 57 1HB PRO 57 10.380 -5.599 4.574 378 2HB PRO 57 2HB PRO 57 10.391 -4.375 3.292 379 1HG PRO 57 1HG PRO 57 8.372 -4.799 5.452 380 2HG PRO 57 2HG PRO 57 9.228 -3.292 5.064 381 1HD PRO 57 1HD PRO 57 6.756 -3.713 4.158 382 2HD PRO 57 2HD PRO 57 7.981 -2.984 3.096 383 H ASP 58 H ASP 58 10.356 -7.095 4.670 384 HA ASP 58 HA ASP 58 9.486 -9.695 4.642 385 1HB ASP 58 1HB ASP 58 11.512 -8.900 5.835 386 2HB ASP 58 2HB ASP 58 10.476 -8.229 7.091 387 H GLN 59 H GLN 59 7.672 -10.647 5.101 388 HA GLN 59 HA GLN 59 5.430 -9.330 6.170 389 1HB GLN 59 1HB GLN 59 5.871 -12.314 5.965 390 2HB GLN 59 2HB GLN 59 4.327 -11.478 6.051 391 1HG GLN 59 1HG GLN 59 6.281 -11.077 3.807 392 2HG GLN 59 2HG GLN 59 5.016 -12.303 3.776 393 1HE2 GLN 59 1HE2 GLN 59 4.233 -8.616 2.633 394 2HE2 GLN 59 2HE2 GLN 59 5.811 -9.280 2.852 395 H GLY 60 H GLY 60 5.328 -8.643 8.204 396 1HA GLY 60 1HA GLY 60 4.850 -10.073 10.408 397 2HA GLY 60 2HA GLY 60 6.608 -10.110 10.353 Start of MODEL 6 1 H SER 1 1H SER 1 15.455 1.764 -3.251 2 HA SER 1 HA SER 1 16.910 2.089 -1.697 3 1HB SER 1 1HB SER 1 17.497 4.771 -2.988 4 2HB SER 1 2HB SER 1 18.518 3.937 -1.815 5 HG SER 1 HG SER 1 19.148 2.530 -3.308 6 H TRP 2 H TRP 2 17.261 3.353 0.332 7 HA TRP 2 HA TRP 2 16.451 4.433 2.169 8 1HB TRP 2 1HB TRP 2 15.104 6.171 0.087 9 2HB TRP 2 2HB TRP 2 15.092 6.512 1.810 10 HD1 TRP 2 HD1 TRP 2 16.220 8.709 0.089 11 HE1 TRP 2 1HE TRP 2 18.701 9.380 0.132 12 HE3 TRP 2 3HE TRP 2 18.217 4.365 1.941 13 HZ2 TRP 2 2HZ TRP 2 21.163 8.245 0.876 14 HZ3 TRP 2 3HZ TRP 2 20.649 4.256 2.302 15 HH2 TRP 2 HH2 TRP 2 22.090 6.156 1.779 16 H MET 3 H MET 3 13.714 5.731 2.141 17 HA MET 3 HA MET 3 12.260 3.328 2.789 18 1HB MET 3 1HB MET 3 10.430 4.973 3.411 19 2HB MET 3 2HB MET 3 11.911 5.065 4.347 20 1HG MET 3 1HG MET 3 12.568 7.074 3.287 21 2HG MET 3 2HG MET 3 11.359 6.879 2.013 22 1HE MET 3 1HE MET 3 11.665 9.334 2.851 23 2HE MET 3 2HE MET 3 9.937 9.686 2.806 24 3HE MET 3 3HE MET 3 10.868 10.024 4.265 25 H SER 4 H SER 4 11.965 2.317 0.843 26 HA SER 4 HA SER 4 10.069 3.632 -0.977 27 1HB SER 4 1HB SER 4 12.406 1.857 -1.703 28 2HB SER 4 2HB SER 4 11.165 2.387 -2.840 29 HG SER 4 HG SER 4 13.056 3.961 -1.437 30 H THR 5 H THR 5 9.493 1.607 -2.649 31 HA THR 5 HA THR 5 8.416 -0.476 -0.893 32 HB THR 5 HB THR 5 6.567 -0.487 -2.751 33 HG1 THR 5 1HG THR 5 7.293 2.234 -2.894 34 1HG2 THR 5 1HG2 THR 5 6.608 1.822 -0.838 35 2HG2 THR 5 2HG2 THR 5 5.200 1.046 -1.561 36 3HG2 THR 5 3HG2 THR 5 6.187 0.166 -0.396 37 H VAL 6 H VAL 6 7.497 -2.272 -2.354 38 HA VAL 6 HA VAL 6 9.363 -3.016 -4.476 39 HB VAL 6 HB VAL 6 10.117 -4.596 -3.026 40 1HG1 VAL 6 1HG1 VAL 6 7.767 -3.842 -1.411 41 2HG1 VAL 6 2HG1 VAL 6 8.430 -5.451 -1.128 42 3HG1 VAL 6 3HG1 VAL 6 9.456 -4.029 -0.939 43 1HG2 VAL 6 1HG2 VAL 6 8.045 -5.670 -4.491 44 2HG2 VAL 6 2HG2 VAL 6 9.308 -6.563 -3.645 45 3HG2 VAL 6 3HG2 VAL 6 7.764 -6.256 -2.852 46 H GLY 7 H GLY 7 8.152 -4.579 -6.018 47 1HA GLY 7 1HA GLY 7 6.146 -5.165 -7.114 48 2HA GLY 7 2HA GLY 7 5.328 -4.804 -5.627 49 H GLY 8 H GLY 8 3.649 -3.728 -6.516 50 1HA GLY 8 1HA GLY 8 2.471 -2.009 -7.473 51 2HA GLY 8 2HA GLY 8 3.588 -1.045 -6.547 52 H ASN 9 H ASN 9 3.645 0.634 -7.909 53 HA ASN 9 HA ASN 9 5.073 0.225 -10.444 54 1HB ASN 9 1HB ASN 9 3.562 2.518 -10.891 55 2HB ASN 9 2HB ASN 9 3.264 0.944 -11.589 56 1HD2 ASN 9 1HD2 ASN 9 0.626 2.600 -9.135 57 2HD2 ASN 9 2HD2 ASN 9 2.038 3.394 -9.743 58 H SER 10 H SER 10 4.335 2.164 -7.661 59 HA SER 10 HA SER 10 5.789 4.470 -8.228 60 1HB SER 10 1HB SER 10 5.572 3.266 -5.467 61 2HB SER 10 2HB SER 10 5.617 4.966 -5.921 62 HG SER 10 HG SER 10 3.484 4.412 -5.454 63 H GLY 11 H GLY 11 6.824 1.663 -6.263 64 1HA GLY 11 1HA GLY 11 8.888 0.651 -6.112 65 2HA GLY 11 2HA GLY 11 9.440 1.675 -7.426 66 H GLY 12 H GLY 12 9.947 3.958 -6.836 67 1HA GLY 12 1HA GLY 12 11.561 3.939 -4.419 68 2HA GLY 12 2HA GLY 12 11.584 5.158 -5.683 69 H ALA 13 H ALA 13 8.593 4.130 -4.206 70 HA ALA 13 HA ALA 13 8.508 6.676 -2.724 71 1HB ALA 13 1HB ALA 13 7.050 6.496 -4.836 72 2HB ALA 13 2HB ALA 13 6.042 5.417 -3.871 73 3HB ALA 13 3HB ALA 13 6.303 7.082 -3.349 74 HA PRO 14 HA PRO 14 7.504 4.053 0.697 75 1HB PRO 14 1HB PRO 14 6.905 5.918 2.520 76 2HB PRO 14 2HB PRO 14 8.549 5.734 1.899 77 1HG PRO 14 1HG PRO 14 6.489 7.787 1.229 78 2HG PRO 14 2HG PRO 14 8.246 7.960 1.351 79 1HD PRO 14 1HD PRO 14 6.792 7.658 -1.011 80 2HD PRO 14 2HD PRO 14 8.543 7.437 -0.842 81 H CYS 15 H CYS 15 5.754 3.423 2.101 82 HA CYS 15 HA CYS 15 3.174 3.760 0.827 83 1HB CYS 15 1HB CYS 15 4.051 2.108 3.210 84 2HB CYS 15 2HB CYS 15 2.416 2.109 2.554 85 H VAL 16 H VAL 16 1.716 5.241 1.424 86 HA VAL 16 HA VAL 16 2.155 6.780 3.852 87 HB VAL 16 HB VAL 16 0.115 7.148 1.644 88 1HG1 VAL 16 1HG1 VAL 16 0.568 8.562 4.198 89 2HG1 VAL 16 2HG1 VAL 16 0.279 9.565 2.776 90 3HG1 VAL 16 3HG1 VAL 16 -0.906 8.353 3.252 91 1HG2 VAL 16 1HG2 VAL 16 2.907 7.900 1.884 92 2HG2 VAL 16 2HG2 VAL 16 1.837 7.935 0.482 93 3HG2 VAL 16 3HG2 VAL 16 1.854 9.289 1.612 94 H PHE 17 H PHE 17 1.166 6.274 5.685 95 HA PHE 17 HA PHE 17 -1.378 4.817 5.562 96 1HB PHE 17 1HB PHE 17 0.791 4.796 7.665 97 2HB PHE 17 2HB PHE 17 -0.772 4.032 7.857 98 HD1 PHE 17 1HD PHE 17 -1.386 2.426 5.763 99 HD2 PHE 17 2HD PHE 17 2.505 3.459 7.111 100 HE1 PHE 17 1HE PHE 17 -0.482 0.388 4.728 101 HE2 PHE 17 2HE PHE 17 3.426 1.428 6.091 102 HZ PHE 17 HZ PHE 17 1.938 -0.139 4.878 103 HA PRO 18 HA PRO 18 -2.900 4.300 6.726 104 1HB PRO 18 1HB PRO 18 -5.546 5.230 7.090 105 2HB PRO 18 2HB PRO 18 -4.583 4.299 8.238 106 1HG PRO 18 1HG PRO 18 -5.433 6.942 8.578 107 2HG PRO 18 2HG PRO 18 -4.172 6.126 9.517 108 1HD PRO 18 1HD PRO 18 -3.907 8.017 7.217 109 2HD PRO 18 2HD PRO 18 -2.869 7.821 8.648 110 H PHE 19 H PHE 19 -3.392 3.612 4.695 111 HA PHE 19 HA PHE 19 -4.405 5.665 2.852 112 1HB PHE 19 1HB PHE 19 -3.682 4.296 1.003 113 2HB PHE 19 2HB PHE 19 -2.339 4.531 2.114 114 HD1 PHE 19 1HD PHE 19 -1.862 2.618 3.771 115 HD2 PHE 19 2HD PHE 19 -4.261 2.188 0.288 116 HE1 PHE 19 1HE PHE 19 -1.511 0.184 3.820 117 HE2 PHE 19 2HE PHE 19 -3.912 -0.241 0.337 118 HZ PHE 19 HZ PHE 19 -2.537 -1.241 2.110 119 H THR 20 H THR 20 -6.397 5.587 2.117 120 HA THR 20 HA THR 20 -8.039 3.402 3.095 121 HB THR 20 HB THR 20 -8.930 5.916 1.661 122 HG1 THR 20 1HG THR 20 -8.270 6.887 3.398 123 1HG2 THR 20 1HG2 THR 20 -10.819 5.275 3.540 124 2HG2 THR 20 2HG2 THR 20 -10.933 4.967 1.805 125 3HG2 THR 20 3HG2 THR 20 -10.352 3.703 2.888 126 H PHE 21 H PHE 21 -8.745 1.809 1.972 127 HA PHE 21 HA PHE 21 -8.945 2.011 -0.964 128 1HB PHE 21 1HB PHE 21 -6.940 0.622 0.019 129 2HB PHE 21 2HB PHE 21 -8.181 -0.524 0.447 130 HD1 PHE 21 1HD PHE 21 -9.013 1.158 -2.597 131 HD2 PHE 21 2HD PHE 21 -6.714 -2.022 -0.955 132 HE1 PHE 21 1HE PHE 21 -8.903 0.079 -4.796 133 HE2 PHE 21 2HE PHE 21 -6.603 -3.105 -3.142 134 HZ PHE 21 HZ PHE 21 -7.690 -2.041 -5.093 135 H LEU 22 H LEU 22 -10.725 0.839 -1.776 136 HA LEU 22 HA LEU 22 -12.915 0.376 -1.784 137 1HB LEU 22 1HB LEU 22 -11.612 -1.707 -0.138 138 2HB LEU 22 2HB LEU 22 -13.178 -1.934 -0.899 139 HG LEU 22 HG LEU 22 -12.004 -2.759 -2.623 140 1HD1 LEU 22 1HD1 LEU 22 -11.761 0.024 -2.983 141 2HD1 LEU 22 2HD1 LEU 22 -10.404 -0.846 -3.691 142 3HD1 LEU 22 3HD1 LEU 22 -12.053 -1.254 -4.166 143 1HD2 LEU 22 1HD2 LEU 22 -10.213 -3.025 -0.910 144 2HD2 LEU 22 2HD2 LEU 22 -9.786 -3.159 -2.616 145 3HD2 LEU 22 3HD2 LEU 22 -9.448 -1.667 -1.742 146 H GLY 23 H GLY 23 -12.426 2.320 0.238 147 1HA GLY 23 1HA GLY 23 -13.918 3.342 1.703 148 2HA GLY 23 2HA GLY 23 -14.784 1.829 1.843 149 H ASN 24 H ASN 24 -11.686 0.904 2.486 150 HA ASN 24 HA ASN 24 -12.108 1.361 5.365 151 1HB ASN 24 1HB ASN 24 -10.605 -0.830 3.928 152 2HB ASN 24 2HB ASN 24 -10.771 -0.691 5.669 153 1HD2 ASN 24 1HD2 ASN 24 -13.556 -2.490 3.490 154 2HD2 ASN 24 2HD2 ASN 24 -12.006 -2.025 2.910 155 H LYS 25 H LYS 25 -10.555 2.291 6.599 156 HA LYS 25 HA LYS 25 -8.349 3.611 5.350 157 1HB LYS 25 1HB LYS 25 -8.977 3.274 8.290 158 2HB LYS 25 2HB LYS 25 -8.009 4.514 7.543 159 1HG LYS 25 1HG LYS 25 -10.915 4.239 6.909 160 2HG LYS 25 2HG LYS 25 -10.353 5.146 8.314 161 1HD LYS 25 1HD LYS 25 -9.475 5.684 5.478 162 2HD LYS 25 2HD LYS 25 -10.792 6.533 6.288 163 1HE LYS 25 1HE LYS 25 -9.148 7.174 8.079 164 2HE LYS 25 2HE LYS 25 -7.877 6.529 7.045 165 1HZ LYS 25 1HZ LYS 25 -8.642 8.107 5.299 166 2HZ LYS 25 2HZ LYS 25 -9.689 8.800 6.444 167 3HZ LYS 25 3HZ LYS 25 -8.006 8.863 6.680 168 H TYR 26 H TYR 26 -6.414 2.524 4.951 169 HA TYR 26 HA TYR 26 -5.869 0.204 6.648 170 1HB TYR 26 1HB TYR 26 -4.663 0.984 4.001 171 2HB TYR 26 2HB TYR 26 -4.264 -0.462 4.918 172 HD1 TYR 26 1HD TYR 26 -7.298 -0.809 5.800 173 HD2 TYR 26 2HD TYR 26 -5.307 -0.335 2.077 174 HE1 TYR 26 1HE TYR 26 -9.091 -2.046 4.681 175 HE2 TYR 26 2HE TYR 26 -7.097 -1.566 0.957 176 HH TYR 26 HH TYR 26 -9.874 -1.973 1.821 177 H GLU 27 H GLU 27 -4.836 0.747 8.325 178 HA GLU 27 HA GLU 27 -2.831 2.820 8.376 179 1HB GLU 27 1HB GLU 27 -3.460 0.955 10.632 180 2HB GLU 27 2HB GLU 27 -2.947 2.623 10.695 181 1HG GLU 27 1HG GLU 27 -5.123 3.308 9.770 182 2HG GLU 27 2HG GLU 27 -5.641 1.624 9.846 183 H SER 28 H SER 28 -3.004 -0.510 7.891 184 HA SER 28 HA SER 28 -0.094 -0.740 8.061 185 1HB SER 28 1HB SER 28 -0.560 -3.182 8.638 186 2HB SER 28 2HB SER 28 -0.856 -2.016 9.923 187 HG SER 28 HG SER 28 -3.131 -2.149 8.728 188 H CYS 29 H CYS 29 0.389 -3.033 6.775 189 HA CYS 29 HA CYS 29 -0.372 -2.446 4.109 190 1HB CYS 29 1HB CYS 29 0.809 -5.007 5.170 191 2HB CYS 29 2HB CYS 29 0.771 -4.504 3.498 192 H THR 30 H THR 30 -1.487 -3.913 2.690 193 HA THR 30 HA THR 30 -3.541 -5.566 3.982 194 HB THR 30 HB THR 30 -4.505 -3.284 3.534 195 HG1 THR 30 1HG THR 30 -5.999 -4.887 3.426 196 1HG2 THR 30 1HG2 THR 30 -5.010 -2.905 1.034 197 2HG2 THR 30 2HG2 THR 30 -3.435 -2.433 1.669 198 3HG2 THR 30 3HG2 THR 30 -3.601 -3.932 0.756 199 H SER 31 H SER 31 -4.865 -6.596 2.073 200 HA SER 31 HA SER 31 -3.030 -7.392 -0.072 201 1HB SER 31 1HB SER 31 -3.985 -9.718 0.147 202 2HB SER 31 2HB SER 31 -3.011 -9.202 1.533 203 HG SER 31 HG SER 31 -4.915 -10.121 2.309 204 H ALA 32 H ALA 32 -5.369 -5.553 0.464 205 HA ALA 32 HA ALA 32 -7.690 -6.403 -0.837 206 1HB ALA 32 1HB ALA 32 -6.796 -4.080 0.440 207 2HB ALA 32 2HB ALA 32 -7.183 -3.571 -1.205 208 3HB ALA 32 3HB ALA 32 -8.408 -4.364 -0.216 209 H GLY 33 H GLY 33 -8.456 -6.234 -2.874 210 1HA GLY 33 1HA GLY 33 -8.452 -5.938 -5.150 211 2HA GLY 33 2HA GLY 33 -7.064 -4.881 -4.954 212 H ARG 34 H ARG 34 -6.080 -7.611 -3.463 213 HA ARG 34 HA ARG 34 -4.803 -8.530 -5.931 214 1HB ARG 34 1HB ARG 34 -4.032 -9.166 -3.088 215 2HB ARG 34 2HB ARG 34 -3.111 -9.513 -4.532 216 1HG ARG 34 1HG ARG 34 -3.376 -6.848 -4.777 217 2HG ARG 34 2HG ARG 34 -3.383 -7.012 -3.019 218 1HD ARG 34 1HD ARG 34 -1.112 -6.681 -3.984 219 2HD ARG 34 2HD ARG 34 -1.268 -8.173 -3.054 220 HE ARG 34 HE ARG 34 -0.831 -9.354 -4.943 221 1HH1 ARG 34 1HH1 ARG 34 -1.849 -6.129 -5.865 222 2HH1 ARG 34 2HH1 ARG 34 -1.545 -6.369 -7.559 223 1HH2 ARG 34 1HH2 ARG 34 -0.421 -9.676 -7.162 224 2HH2 ARG 34 2HH2 ARG 34 -0.729 -8.393 -8.293 225 H SER 35 H SER 35 -4.498 -10.766 -6.319 226 HA SER 35 HA SER 35 -6.436 -12.540 -5.002 227 1HB SER 35 1HB SER 35 -6.840 -13.556 -7.299 228 2HB SER 35 2HB SER 35 -7.526 -11.951 -7.040 229 HG SER 35 HG SER 35 -6.303 -12.355 -9.075 230 H ASP 36 H ASP 36 -3.349 -12.025 -5.217 231 HA ASP 36 HA ASP 36 -2.566 -14.754 -5.890 232 1HB ASP 36 1HB ASP 36 -0.213 -13.740 -5.803 233 2HB ASP 36 2HB ASP 36 -1.229 -13.358 -7.170 234 H GLY 37 H GLY 37 -1.079 -12.439 -3.730 235 1HA GLY 37 1HA GLY 37 -1.842 -13.607 -1.335 236 2HA GLY 37 2HA GLY 37 -0.375 -14.419 -1.840 237 H LYS 38 H LYS 38 0.764 -11.929 -3.035 238 HA LYS 38 HA LYS 38 2.162 -11.041 -0.781 239 1HB LYS 38 1HB LYS 38 1.847 -9.487 -3.337 240 2HB LYS 38 2HB LYS 38 3.206 -9.462 -2.217 241 1HG LYS 38 1HG LYS 38 4.102 -10.829 -3.756 242 2HG LYS 38 2HG LYS 38 3.222 -12.055 -2.864 243 1HD LYS 38 1HD LYS 38 1.446 -12.017 -4.441 244 2HD LYS 38 2HD LYS 38 2.110 -10.596 -5.247 245 1HE LYS 38 1HE LYS 38 4.025 -11.884 -6.000 246 2HE LYS 38 2HE LYS 38 3.440 -13.300 -5.119 247 1HZ LYS 38 1HZ LYS 38 1.489 -12.197 -6.930 248 2HZ LYS 38 2HZ LYS 38 2.904 -12.718 -7.722 249 3HZ LYS 38 3HZ LYS 38 2.025 -13.799 -6.744 250 H MET 39 H MET 39 1.912 -9.374 0.605 251 HA MET 39 HA MET 39 -0.559 -7.861 0.391 252 1HB MET 39 1HB MET 39 1.494 -7.746 2.609 253 2HB MET 39 2HB MET 39 -0.160 -7.162 2.643 254 1HG MET 39 1HG MET 39 -0.926 -9.519 2.367 255 2HG MET 39 2HG MET 39 0.752 -10.018 2.559 256 1HE MET 39 1HE MET 39 -1.515 -7.391 3.939 257 2HE MET 39 2HE MET 39 -2.431 -8.528 4.928 258 3HE MET 39 3HE MET 39 -1.281 -7.428 5.686 259 H TRP 40 H TRP 40 -0.480 -5.496 0.596 260 HA TRP 40 HA TRP 40 2.083 -4.295 -0.176 261 1HB TRP 40 1HB TRP 40 0.971 -3.059 -2.014 262 2HB TRP 40 2HB TRP 40 0.957 -4.800 -2.287 263 HD1 TRP 40 HD1 TRP 40 -1.513 -6.023 -1.551 264 HE1 TRP 40 1HE TRP 40 -3.890 -5.087 -1.841 265 HE3 TRP 40 3HE TRP 40 -0.368 -1.099 -2.180 266 HZ2 TRP 40 2HZ TRP 40 -5.107 -2.592 -2.257 267 HZ3 TRP 40 3HZ TRP 40 -2.201 0.509 -2.509 268 HH2 TRP 40 HH2 TRP 40 -4.524 -0.229 -2.551 269 H CYS 41 H CYS 41 1.369 -1.794 -0.678 270 HA CYS 41 HA CYS 41 -0.581 -0.724 1.116 271 1HB CYS 41 1HB CYS 41 1.263 0.756 2.231 272 2HB CYS 41 2HB CYS 41 0.929 -0.848 2.872 273 H ALA 42 H ALA 42 -1.186 1.320 0.466 274 HA ALA 42 HA ALA 42 -0.290 2.111 -2.116 275 1HB ALA 42 1HB ALA 42 -2.341 3.056 -0.225 276 2HB ALA 42 2HB ALA 42 -1.720 4.246 -1.370 277 3HB ALA 42 3HB ALA 42 -2.441 2.748 -1.958 278 H THR 43 H THR 43 0.560 4.119 -2.727 279 HA THR 43 HA THR 43 2.473 5.146 -0.762 280 HB THR 43 HB THR 43 3.775 5.913 -2.694 281 HG1 THR 43 1HG THR 43 2.508 6.331 -4.367 282 1HG2 THR 43 1HG2 THR 43 3.644 3.458 -3.892 283 2HG2 THR 43 2HG2 THR 43 4.611 3.859 -2.472 284 3HG2 THR 43 3HG2 THR 43 3.014 3.136 -2.277 285 H THR 44 H THR 44 -0.463 5.769 -1.456 286 HA THR 44 HA THR 44 -0.195 8.675 -1.216 287 HB THR 44 HB THR 44 -2.346 8.841 -2.567 288 HG1 THR 44 1HG THR 44 -3.231 7.048 -3.158 289 1HG2 THR 44 1HG2 THR 44 -1.192 8.261 -4.810 290 2HG2 THR 44 2HG2 THR 44 -0.556 9.571 -3.813 291 3HG2 THR 44 3HG2 THR 44 0.232 7.994 -3.803 292 H ALA 45 H ALA 45 -1.892 9.647 0.055 293 HA ALA 45 HA ALA 45 -2.696 8.159 2.283 294 1HB ALA 45 1HB ALA 45 -3.112 10.858 1.298 295 2HB ALA 45 2HB ALA 45 -4.493 10.244 2.205 296 3HB ALA 45 3HB ALA 45 -2.895 10.275 2.947 297 H ASN 46 H ASN 46 -4.316 8.729 -0.759 298 HA ASN 46 HA ASN 46 -6.418 6.881 0.096 299 1HB ASN 46 1HB ASN 46 -7.337 9.189 -0.072 300 2HB ASN 46 2HB ASN 46 -6.822 9.238 -1.758 301 1HD2 ASN 46 1HD2 ASN 46 -10.306 7.645 -0.755 302 2HD2 ASN 46 2HD2 ASN 46 -9.300 8.529 0.332 303 H TYR 47 H TYR 47 -6.329 5.108 -1.048 304 HA TYR 47 HA TYR 47 -4.745 5.035 -3.461 305 1HB TYR 47 1HB TYR 47 -4.550 3.273 -1.715 306 2HB TYR 47 2HB TYR 47 -6.192 2.758 -2.097 307 HD1 TYR 47 1HD TYR 47 -2.815 3.193 -3.552 308 HD2 TYR 47 2HD TYR 47 -6.585 1.260 -3.871 309 HE1 TYR 47 1HE TYR 47 -1.924 1.767 -5.333 310 HE2 TYR 47 2HE TYR 47 -5.698 -0.165 -5.660 311 HH TYR 47 HH TYR 47 -3.071 -0.952 -6.244 312 H ASP 48 H ASP 48 -8.136 4.833 -2.619 313 HA ASP 48 HA ASP 48 -9.113 3.713 -4.979 314 1HB ASP 48 1HB ASP 48 -10.276 5.462 -2.857 315 2HB ASP 48 2HB ASP 48 -11.213 5.127 -4.307 316 H ASP 49 H ASP 49 -8.156 6.980 -4.254 317 HA ASP 49 HA ASP 49 -9.299 8.044 -6.695 318 1HB ASP 49 1HB ASP 49 -7.917 9.235 -4.324 319 2HB ASP 49 2HB ASP 49 -8.116 10.174 -5.797 320 H ASP 50 H ASP 50 -6.007 7.638 -5.347 321 HA ASP 50 HA ASP 50 -4.936 8.526 -7.921 322 1HB ASP 50 1HB ASP 50 -3.809 8.367 -5.167 323 2HB ASP 50 2HB ASP 50 -2.710 8.361 -6.544 324 H ARG 51 H ARG 51 -5.374 5.616 -6.190 325 HA ARG 51 HA ARG 51 -4.591 3.524 -6.391 326 1HB ARG 51 1HB ARG 51 -4.819 4.262 -9.283 327 2HB ARG 51 2HB ARG 51 -4.871 2.633 -8.618 328 1HG ARG 51 1HG ARG 51 -6.744 3.812 -7.115 329 2HG ARG 51 2HG ARG 51 -6.919 4.745 -8.605 330 1HD ARG 51 1HD ARG 51 -6.804 1.762 -8.637 331 2HD ARG 51 2HD ARG 51 -8.305 2.606 -8.263 332 HE ARG 51 HE ARG 51 -8.506 3.221 -10.475 333 1HH1 ARG 51 1HH1 ARG 51 -5.377 1.723 -9.987 334 2HH1 ARG 51 2HH1 ARG 51 -4.931 1.826 -11.661 335 1HH2 ARG 51 1HH2 ARG 51 -7.986 3.247 -12.654 336 2HH2 ARG 51 2HH2 ARG 51 -6.458 2.621 -13.197 337 H LYS 52 H LYS 52 -2.401 4.817 -5.692 338 HA LYS 52 HA LYS 52 -0.351 3.672 -7.448 339 1HB LYS 52 1HB LYS 52 -0.233 6.125 -5.696 340 2HB LYS 52 2HB LYS 52 1.224 5.324 -6.270 341 1HG LYS 52 1HG LYS 52 0.510 5.680 -8.587 342 2HG LYS 52 2HG LYS 52 -0.941 6.494 -8.005 343 1HD LYS 52 1HD LYS 52 0.347 8.269 -7.048 344 2HD LYS 52 2HD LYS 52 1.862 7.405 -7.362 345 1HE LYS 52 1HE LYS 52 -0.066 8.524 -9.414 346 2HE LYS 52 2HE LYS 52 1.542 9.140 -9.027 347 1HZ LYS 52 1HZ LYS 52 2.120 6.614 -9.645 348 2HZ LYS 52 2HZ LYS 52 0.769 6.850 -10.645 349 3HZ LYS 52 3HZ LYS 52 2.119 7.877 -10.780 350 H TRP 53 H TRP 53 0.535 1.925 -6.641 351 HA TRP 53 HA TRP 53 0.581 1.610 -3.723 352 1HB TRP 53 1HB TRP 53 -0.191 -0.651 -3.984 353 2HB TRP 53 2HB TRP 53 -1.303 0.432 -4.750 354 HD1 TRP 53 HD1 TRP 53 -0.826 0.623 -7.619 355 HE1 TRP 53 1HE TRP 53 -0.320 -1.372 -9.180 356 HE3 TRP 53 3HE TRP 53 0.651 -2.644 -4.110 357 HZ2 TRP 53 2HZ TRP 53 0.607 -4.064 -8.888 358 HZ3 TRP 53 3HZ TRP 53 1.342 -4.941 -4.766 359 HH2 TRP 53 HH2 TRP 53 1.317 -5.623 -7.118 360 H GLY 54 H GLY 54 1.687 -0.432 -3.117 361 1HA GLY 54 1HA GLY 54 3.891 -1.409 -4.629 362 2HA GLY 54 2HA GLY 54 4.407 -0.285 -3.372 363 H PHE 55 H PHE 55 4.643 -3.302 -3.685 364 HA PHE 55 HA PHE 55 3.013 -4.601 -1.844 365 1HB PHE 55 1HB PHE 55 5.751 -5.194 -2.926 366 2HB PHE 55 2HB PHE 55 4.982 -6.244 -1.751 367 HD1 PHE 55 1HD PHE 55 2.200 -6.179 -2.650 368 HD2 PHE 55 2HD PHE 55 5.797 -6.437 -4.896 369 HE1 PHE 55 1HE PHE 55 0.999 -7.413 -4.404 370 HE2 PHE 55 2HE PHE 55 4.600 -7.666 -6.669 371 HZ PHE 55 HZ PHE 55 2.199 -8.147 -6.427 372 H CYS 56 H CYS 56 3.549 -5.491 0.218 373 HA CYS 56 HA CYS 56 4.598 -3.516 2.018 374 1HB CYS 56 1HB CYS 56 2.652 -5.146 2.425 375 2HB CYS 56 2HB CYS 56 3.887 -6.374 2.678 376 HA PRO 57 HA PRO 57 8.687 -5.357 1.786 377 1HB PRO 57 1HB PRO 57 10.106 -3.324 2.584 378 2HB PRO 57 2HB PRO 57 9.145 -3.146 1.101 379 1HG PRO 57 1HG PRO 57 8.419 -2.387 3.896 380 2HG PRO 57 2HG PRO 57 8.419 -1.330 2.466 381 1HD PRO 57 1HD PRO 57 6.169 -2.577 3.359 382 2HD PRO 57 2HD PRO 57 6.462 -2.286 1.628 383 H ASP 58 H ASP 58 10.617 -4.789 3.558 384 HA ASP 58 HA ASP 58 11.481 -5.926 5.373 385 1HB ASP 58 1HB ASP 58 11.136 -3.456 5.823 386 2HB ASP 58 2HB ASP 58 9.745 -3.928 6.782 387 H GLN 59 H GLN 59 10.055 -7.904 4.890 388 HA GLN 59 HA GLN 59 8.389 -8.425 7.269 389 1HB GLN 59 1HB GLN 59 8.010 -9.547 4.483 390 2HB GLN 59 2HB GLN 59 7.104 -10.057 5.894 391 1HG GLN 59 1HG GLN 59 6.301 -7.681 6.085 392 2HG GLN 59 2HG GLN 59 7.019 -7.402 4.499 393 1HE2 GLN 59 1HE2 GLN 59 4.379 -8.792 2.756 394 2HE2 GLN 59 2HE2 GLN 59 5.846 -7.874 2.760 395 H GLY 60 H GLY 60 9.825 -10.309 4.631 396 1HA GLY 60 1HA GLY 60 11.963 -11.490 5.729 397 2HA GLY 60 2HA GLY 60 10.644 -12.375 6.491 Start of MODEL 7 1 H SER 1 1H SER 1 12.762 7.420 5.900 2 HA SER 1 HA SER 1 11.269 5.658 7.676 3 1HB SER 1 1HB SER 1 11.497 5.870 4.657 4 2HB SER 1 2HB SER 1 10.280 4.973 5.568 5 HG SER 1 HG SER 1 9.162 6.736 5.612 6 H TRP 2 H TRP 2 11.434 3.321 7.174 7 HA TRP 2 HA TRP 2 14.186 2.510 7.224 8 1HB TRP 2 1HB TRP 2 12.363 1.427 8.587 9 2HB TRP 2 2HB TRP 2 11.737 0.734 7.097 10 HD1 TRP 2 HD1 TRP 2 12.226 -1.774 7.513 11 HE1 TRP 2 1HE TRP 2 14.358 -3.174 7.866 12 HE3 TRP 2 3HE TRP 2 15.588 2.021 8.149 13 HZ2 TRP 2 2HZ TRP 2 17.097 -2.723 8.361 14 HZ3 TRP 2 3HZ TRP 2 17.942 1.449 8.563 15 HH2 TRP 2 HH2 TRP 2 18.682 -0.873 8.669 16 H MET 3 H MET 3 11.788 0.704 5.386 17 HA MET 3 HA MET 3 13.587 0.803 3.079 18 1HB MET 3 1HB MET 3 11.349 -1.109 3.746 19 2HB MET 3 2HB MET 3 12.373 -1.205 2.322 20 1HG MET 3 1HG MET 3 13.359 -1.368 5.150 21 2HG MET 3 2HG MET 3 12.995 -2.756 4.133 22 1HE MET 3 1HE MET 3 15.309 -3.674 4.668 23 2HE MET 3 2HE MET 3 16.846 -2.978 4.152 24 3HE MET 3 3HE MET 3 15.978 -2.283 5.522 25 H SER 4 H SER 4 12.535 0.754 0.921 26 HA SER 4 HA SER 4 10.283 2.647 0.854 27 1HB SER 4 1HB SER 4 12.286 1.884 -1.295 28 2HB SER 4 2HB SER 4 10.993 3.071 -1.487 29 HG SER 4 HG SER 4 13.225 3.203 0.275 30 H THR 5 H THR 5 9.243 2.178 -1.615 31 HA THR 5 HA THR 5 7.856 -0.286 -1.134 32 HB THR 5 HB THR 5 6.664 0.460 -3.321 33 HG1 THR 5 1HG THR 5 7.323 3.048 -2.690 34 1HG2 THR 5 1HG2 THR 5 6.069 2.542 -1.386 35 2HG2 THR 5 2HG2 THR 5 5.052 1.245 -2.019 36 3HG2 THR 5 3HG2 THR 5 6.142 0.931 -0.670 37 H VAL 6 H VAL 6 7.484 -1.878 -2.633 38 HA VAL 6 HA VAL 6 9.429 -2.314 -4.764 39 HB VAL 6 HB VAL 6 10.394 -3.851 -3.385 40 1HG1 VAL 6 1HG1 VAL 6 8.586 -2.967 -1.568 41 2HG1 VAL 6 2HG1 VAL 6 8.170 -4.677 -1.677 42 3HG1 VAL 6 3HG1 VAL 6 9.810 -4.196 -1.248 43 1HG2 VAL 6 1HG2 VAL 6 8.260 -5.115 -4.744 44 2HG2 VAL 6 2HG2 VAL 6 9.820 -5.790 -4.267 45 3HG2 VAL 6 3HG2 VAL 6 8.446 -5.877 -3.165 46 H GLY 7 H GLY 7 8.348 -4.028 -6.319 47 1HA GLY 7 1HA GLY 7 6.383 -4.720 -7.418 48 2HA GLY 7 2HA GLY 7 5.577 -4.549 -5.883 49 H GLY 8 H GLY 8 3.749 -3.642 -6.822 50 1HA GLY 8 1HA GLY 8 2.383 -1.970 -7.591 51 2HA GLY 8 2HA GLY 8 3.440 -0.942 -6.648 52 H ASN 9 H ASN 9 3.172 0.789 -8.042 53 HA ASN 9 HA ASN 9 4.712 0.510 -10.515 54 1HB ASN 9 1HB ASN 9 3.206 2.059 -11.699 55 2HB ASN 9 2HB ASN 9 2.442 0.548 -11.277 56 1HD2 ASN 9 1HD2 ASN 9 1.054 3.002 -8.548 57 2HD2 ASN 9 2HD2 ASN 9 2.585 2.200 -8.503 58 H SER 10 H SER 10 4.399 2.048 -7.600 59 HA SER 10 HA SER 10 5.374 4.634 -8.389 60 1HB SER 10 1HB SER 10 5.540 3.504 -5.597 61 2HB SER 10 2HB SER 10 5.299 5.169 -6.102 62 HG SER 10 HG SER 10 3.317 4.433 -5.463 63 H GLY 11 H GLY 11 6.711 1.796 -6.705 64 1HA GLY 11 1HA GLY 11 8.850 1.017 -6.458 65 2HA GLY 11 2HA GLY 11 9.142 1.725 -8.030 66 H GLY 12 H GLY 12 8.981 2.599 -4.570 67 1HA GLY 12 1HA GLY 12 11.308 3.502 -3.928 68 2HA GLY 12 2HA GLY 12 10.960 4.700 -5.164 69 H ALA 13 H ALA 13 8.252 5.182 -4.624 70 HA ALA 13 HA ALA 13 8.513 7.044 -2.515 71 1HB ALA 13 1HB ALA 13 6.866 6.989 -4.560 72 2HB ALA 13 2HB ALA 13 5.808 6.179 -3.402 73 3HB ALA 13 3HB ALA 13 6.427 7.794 -3.055 74 HA PRO 14 HA PRO 14 7.675 4.498 1.007 75 1HB PRO 14 1HB PRO 14 6.757 6.946 2.337 76 2HB PRO 14 2HB PRO 14 8.153 5.935 2.705 77 1HG PRO 14 1HG PRO 14 8.366 8.420 1.632 78 2HG PRO 14 2HG PRO 14 9.550 7.133 1.345 79 1HD PRO 14 1HD PRO 14 7.398 8.162 -0.456 80 2HD PRO 14 2HD PRO 14 9.014 7.544 -0.848 81 H CYS 15 H CYS 15 5.856 3.743 2.215 82 HA CYS 15 HA CYS 15 3.336 4.082 0.871 83 1HB CYS 15 1HB CYS 15 3.654 2.815 3.598 84 2HB CYS 15 2HB CYS 15 2.472 2.451 2.350 85 H VAL 16 H VAL 16 1.640 5.402 1.469 86 HA VAL 16 HA VAL 16 2.145 7.240 3.688 87 HB VAL 16 HB VAL 16 0.060 7.352 1.495 88 1HG1 VAL 16 1HG1 VAL 16 0.133 8.675 4.033 89 2HG1 VAL 16 2HG1 VAL 16 0.371 9.861 2.748 90 3HG1 VAL 16 3HG1 VAL 16 -1.053 8.822 2.736 91 1HG2 VAL 16 1HG2 VAL 16 2.791 8.079 1.543 92 2HG2 VAL 16 2HG2 VAL 16 1.604 8.365 0.269 93 3HG2 VAL 16 3HG2 VAL 16 1.846 9.570 1.535 94 H PHE 17 H PHE 17 1.364 6.698 5.601 95 HA PHE 17 HA PHE 17 -1.217 5.311 5.723 96 1HB PHE 17 1HB PHE 17 1.164 5.112 7.566 97 2HB PHE 17 2HB PHE 17 -0.409 4.432 7.915 98 HD1 PHE 17 1HD PHE 17 -1.328 2.999 5.726 99 HD2 PHE 17 2HD PHE 17 2.698 3.626 6.922 100 HE1 PHE 17 1HE PHE 17 -0.667 0.936 4.576 101 HE2 PHE 17 2HE PHE 17 3.379 1.568 5.776 102 HZ PHE 17 HZ PHE 17 1.700 0.190 4.583 103 HA PRO 18 HA PRO 18 -2.615 4.859 6.943 104 1HB PRO 18 1HB PRO 18 -5.156 5.614 7.579 105 2HB PRO 18 2HB PRO 18 -3.996 4.992 8.751 106 1HG PRO 18 1HG PRO 18 -5.035 7.707 8.435 107 2HG PRO 18 2HG PRO 18 -4.171 6.993 9.803 108 1HD PRO 18 1HD PRO 18 -3.155 8.724 7.730 109 2HD PRO 18 2HD PRO 18 -2.310 8.106 9.163 110 H PHE 19 H PHE 19 -3.400 4.262 4.997 111 HA PHE 19 HA PHE 19 -4.456 6.440 3.315 112 1HB PHE 19 1HB PHE 19 -3.918 5.167 1.348 113 2HB PHE 19 2HB PHE 19 -2.487 5.272 2.353 114 HD1 PHE 19 1HD PHE 19 -1.838 3.230 3.721 115 HD2 PHE 19 2HD PHE 19 -4.751 3.121 0.621 116 HE1 PHE 19 1HE PHE 19 -1.530 0.798 3.516 117 HE2 PHE 19 2HE PHE 19 -4.442 0.691 0.411 118 HZ PHE 19 HZ PHE 19 -2.831 -0.479 1.859 119 H THR 20 H THR 20 -5.876 4.933 1.465 120 HA THR 20 HA THR 20 -7.763 3.343 3.002 121 HB THR 20 HB THR 20 -8.594 5.899 1.581 122 HG1 THR 20 1HG THR 20 -7.754 5.473 4.079 123 1HG2 THR 20 1HG2 THR 20 -10.292 4.035 3.210 124 2HG2 THR 20 2HG2 THR 20 -10.802 5.536 2.437 125 3HG2 THR 20 3HG2 THR 20 -10.319 4.158 1.450 126 H PHE 21 H PHE 21 -8.422 1.696 1.859 127 HA PHE 21 HA PHE 21 -8.294 1.910 -1.085 128 1HB PHE 21 1HB PHE 21 -6.565 0.405 0.045 129 2HB PHE 21 2HB PHE 21 -7.910 -0.602 0.524 130 HD1 PHE 21 1HD PHE 21 -6.649 0.971 -2.627 131 HD2 PHE 21 2HD PHE 21 -8.365 -2.437 -0.763 132 HE1 PHE 21 1HE PHE 21 -6.401 -0.284 -4.711 133 HE2 PHE 21 2HE PHE 21 -8.122 -3.697 -2.837 134 HZ PHE 21 HZ PHE 21 -7.128 -2.643 -4.821 135 H LEU 22 H LEU 22 -10.021 1.361 -2.137 136 HA LEU 22 HA LEU 22 -12.197 0.947 -2.568 137 1HB LEU 22 1HB LEU 22 -10.820 -1.393 -1.415 138 2HB LEU 22 2HB LEU 22 -12.479 -1.580 -1.945 139 HG LEU 22 HG LEU 22 -11.810 -1.003 -4.182 140 1HD1 LEU 22 1HD1 LEU 22 -10.187 0.643 -3.670 141 2HD1 LEU 22 2HD1 LEU 22 -9.072 -0.654 -3.237 142 3HD1 LEU 22 3HD1 LEU 22 -9.661 -0.514 -4.893 143 1HD2 LEU 22 1HD2 LEU 22 -11.614 -3.330 -3.468 144 2HD2 LEU 22 2HD2 LEU 22 -10.495 -2.896 -4.759 145 3HD2 LEU 22 3HD2 LEU 22 -9.917 -3.012 -3.098 146 H GLY 23 H GLY 23 -11.951 2.298 0.014 147 1HA GLY 23 1HA GLY 23 -13.936 2.907 1.250 148 2HA GLY 23 2HA GLY 23 -14.405 1.221 1.232 149 H ASN 24 H ASN 24 -11.393 0.630 2.053 150 HA ASN 24 HA ASN 24 -11.939 1.163 4.894 151 1HB ASN 24 1HB ASN 24 -10.216 -1.013 3.726 152 2HB ASN 24 2HB ASN 24 -10.722 -0.834 5.400 153 1HD2 ASN 24 1HD2 ASN 24 -12.931 -2.904 2.853 154 2HD2 ASN 24 2HD2 ASN 24 -11.312 -2.381 2.561 155 H LYS 25 H LYS 25 -10.502 2.266 6.088 156 HA LYS 25 HA LYS 25 -8.221 3.435 4.831 157 1HB LYS 25 1HB LYS 25 -9.107 3.504 7.720 158 2HB LYS 25 2HB LYS 25 -8.035 4.618 6.909 159 1HG LYS 25 1HG LYS 25 -9.886 5.317 5.447 160 2HG LYS 25 2HG LYS 25 -10.958 4.257 6.369 161 1HD LYS 25 1HD LYS 25 -11.222 6.464 7.220 162 2HD LYS 25 2HD LYS 25 -10.308 5.537 8.413 163 1HE LYS 25 1HE LYS 25 -8.226 6.527 7.625 164 2HE LYS 25 2HE LYS 25 -9.096 7.399 6.361 165 1HZ LYS 25 1HZ LYS 25 -10.399 8.327 8.424 166 2HZ LYS 25 2HZ LYS 25 -8.965 7.919 9.247 167 3HZ LYS 25 3HZ LYS 25 -8.922 9.007 7.941 168 H TYR 26 H TYR 26 -6.164 2.611 4.886 169 HA TYR 26 HA TYR 26 -5.707 0.387 6.746 170 1HB TYR 26 1HB TYR 26 -4.362 0.954 4.108 171 2HB TYR 26 2HB TYR 26 -4.043 -0.416 5.159 172 HD1 TYR 26 1HD TYR 26 -7.022 -0.875 5.899 173 HD2 TYR 26 2HD TYR 26 -5.022 -0.319 2.194 174 HE1 TYR 26 1HE TYR 26 -8.755 -2.176 4.767 175 HE2 TYR 26 2HE TYR 26 -6.749 -1.615 1.059 176 HH TYR 26 HH TYR 26 -8.730 -3.654 2.425 177 H GLU 27 H GLU 27 -4.418 0.711 8.285 178 HA GLU 27 HA GLU 27 -2.607 2.989 8.299 179 1HB GLU 27 1HB GLU 27 -3.609 1.139 10.443 180 2HB GLU 27 2HB GLU 27 -2.421 2.384 10.728 181 1HG GLU 27 1HG GLU 27 -4.004 4.096 10.078 182 2HG GLU 27 2HG GLU 27 -5.203 2.861 9.698 183 H SER 28 H SER 28 -2.619 -0.323 7.785 184 HA SER 28 HA SER 28 0.299 -0.445 7.967 185 1HB SER 28 1HB SER 28 -0.104 -2.914 8.509 186 2HB SER 28 2HB SER 28 -0.444 -1.770 9.808 187 HG SER 28 HG SER 28 -2.070 -3.566 8.879 188 H CYS 29 H CYS 29 0.811 -2.770 6.681 189 HA CYS 29 HA CYS 29 0.083 -2.174 4.003 190 1HB CYS 29 1HB CYS 29 1.353 -4.646 5.169 191 2HB CYS 29 2HB CYS 29 1.161 -4.344 3.459 192 H THR 30 H THR 30 -0.910 -3.844 2.573 193 HA THR 30 HA THR 30 -2.989 -5.441 3.864 194 HB THR 30 HB THR 30 -4.003 -3.177 3.476 195 HG1 THR 30 1HG THR 30 -5.493 -4.723 3.352 196 1HG2 THR 30 1HG2 THR 30 -4.238 -3.463 0.602 197 2HG2 THR 30 2HG2 THR 30 -3.842 -2.044 1.571 198 3HG2 THR 30 3HG2 THR 30 -2.574 -3.181 1.110 199 H SER 31 H SER 31 -4.150 -6.759 2.244 200 HA SER 31 HA SER 31 -2.482 -7.327 -0.109 201 1HB SER 31 1HB SER 31 -3.382 -9.740 0.220 202 2HB SER 31 2HB SER 31 -2.076 -9.182 1.273 203 HG SER 31 HG SER 31 -3.358 -9.285 2.937 204 H ALA 32 H ALA 32 -4.765 -5.628 0.480 205 HA ALA 32 HA ALA 32 -7.171 -6.651 -0.557 206 1HB ALA 32 1HB ALA 32 -6.487 -4.400 0.768 207 2HB ALA 32 2HB ALA 32 -6.606 -3.761 -0.870 208 3HB ALA 32 3HB ALA 32 -7.993 -4.564 -0.139 209 H GLY 33 H GLY 33 -8.061 -6.651 -2.541 210 1HA GLY 33 1HA GLY 33 -8.243 -6.401 -4.823 211 2HA GLY 33 2HA GLY 33 -6.950 -5.216 -4.751 212 H ARG 34 H ARG 34 -5.600 -7.754 -3.230 213 HA ARG 34 HA ARG 34 -4.431 -8.690 -5.751 214 1HB ARG 34 1HB ARG 34 -3.395 -9.021 -2.929 215 2HB ARG 34 2HB ARG 34 -2.588 -9.519 -4.394 216 1HG ARG 34 1HG ARG 34 -2.902 -6.946 -4.979 217 2HG ARG 34 2HG ARG 34 -2.882 -6.832 -3.217 218 1HD ARG 34 1HD ARG 34 -0.630 -6.581 -4.198 219 2HD ARG 34 2HD ARG 34 -0.745 -7.991 -3.136 220 HE ARG 34 HE ARG 34 -0.286 -9.327 -4.914 221 1HH1 ARG 34 1HH1 ARG 34 -1.414 -6.242 -6.162 222 2HH1 ARG 34 2HH1 ARG 34 -1.123 -6.675 -7.818 223 1HH2 ARG 34 1HH2 ARG 34 0.053 -9.886 -7.112 224 2HH2 ARG 34 2HH2 ARG 34 -0.295 -8.723 -8.356 225 H SER 35 H SER 35 -4.666 -10.301 -2.612 226 HA SER 35 HA SER 35 -5.419 -12.347 -1.964 227 1HB SER 35 1HB SER 35 -7.084 -12.368 -4.496 228 2HB SER 35 2HB SER 35 -7.365 -13.301 -3.024 229 HG SER 35 HG SER 35 -7.613 -11.203 -1.951 230 H ASP 36 H ASP 36 -3.285 -11.805 -4.121 231 HA ASP 36 HA ASP 36 -3.131 -14.430 -5.352 232 1HB ASP 36 1HB ASP 36 -1.712 -13.485 -6.908 233 2HB ASP 36 2HB ASP 36 -2.693 -12.101 -6.463 234 H GLY 37 H GLY 37 -1.590 -12.412 -3.027 235 1HA GLY 37 1HA GLY 37 -0.635 -14.216 -1.301 236 2HA GLY 37 2HA GLY 37 0.589 -14.271 -2.557 237 H LYS 38 H LYS 38 1.368 -11.957 -3.217 238 HA LYS 38 HA LYS 38 2.687 -10.887 -1.021 239 1HB LYS 38 1HB LYS 38 2.177 -9.676 -3.737 240 2HB LYS 38 2HB LYS 38 3.387 -9.121 -2.586 241 1HG LYS 38 1HG LYS 38 4.623 -10.425 -3.992 242 2HG LYS 38 2HG LYS 38 4.280 -11.546 -2.693 243 1HD LYS 38 1HD LYS 38 3.815 -12.872 -4.486 244 2HD LYS 38 2HD LYS 38 2.227 -12.129 -4.275 245 1HE LYS 38 1HE LYS 38 2.713 -10.501 -5.994 246 2HE LYS 38 2HE LYS 38 4.366 -11.105 -6.145 247 1HZ LYS 38 1HZ LYS 38 3.279 -13.311 -6.724 248 2HZ LYS 38 2HZ LYS 38 1.844 -12.427 -6.934 249 3HZ LYS 38 3HZ LYS 38 3.206 -12.080 -7.892 250 H MET 39 H MET 39 2.588 -8.929 0.008 251 HA MET 39 HA MET 39 -0.058 -7.685 0.100 252 1HB MET 39 1HB MET 39 2.181 -7.470 2.122 253 2HB MET 39 2HB MET 39 0.517 -6.960 2.316 254 1HG MET 39 1HG MET 39 -0.259 -9.207 2.359 255 2HG MET 39 2HG MET 39 1.341 -9.811 1.927 256 1HE MET 39 1HE MET 39 3.411 -9.747 3.442 257 2HE MET 39 2HE MET 39 3.292 -8.026 3.810 258 3HE MET 39 3HE MET 39 3.437 -9.199 5.117 259 H TRP 40 H TRP 40 -0.068 -5.298 0.349 260 HA TRP 40 HA TRP 40 2.364 -3.985 -0.619 261 1HB TRP 40 1HB TRP 40 1.091 -2.734 -2.327 262 2HB TRP 40 2HB TRP 40 1.147 -4.464 -2.662 263 HD1 TRP 40 HD1 TRP 40 -1.231 -5.806 -1.763 264 HE1 TRP 40 1HE TRP 40 -3.662 -4.991 -1.979 265 HE3 TRP 40 3HE TRP 40 -0.353 -0.846 -2.486 266 HZ2 TRP 40 2HZ TRP 40 -5.021 -2.563 -2.367 267 HZ3 TRP 40 3HZ TRP 40 -2.269 0.667 -2.744 268 HH2 TRP 40 HH2 TRP 40 -4.555 -0.176 -2.692 269 H CYS 41 H CYS 41 1.336 -1.511 -1.116 270 HA CYS 41 HA CYS 41 -0.243 -0.520 1.076 271 1HB CYS 41 1HB CYS 41 1.540 0.932 1.992 272 2HB CYS 41 2HB CYS 41 1.956 -0.769 2.191 273 H ALA 42 H ALA 42 -0.780 1.752 0.708 274 HA ALA 42 HA ALA 42 -0.441 2.483 -2.092 275 1HB ALA 42 1HB ALA 42 -2.516 2.857 -0.301 276 2HB ALA 42 2HB ALA 42 -1.786 4.459 -0.440 277 3HB ALA 42 3HB ALA 42 -2.355 3.620 -1.883 278 H THR 43 H THR 43 0.507 4.413 -2.776 279 HA THR 43 HA THR 43 2.445 5.476 -0.847 280 HB THR 43 HB THR 43 3.762 6.144 -2.800 281 HG1 THR 43 1HG THR 43 2.438 6.541 -4.458 282 1HG2 THR 43 1HG2 THR 43 3.414 3.560 -3.856 283 2HG2 THR 43 2HG2 THR 43 4.627 4.103 -2.694 284 3HG2 THR 43 3HG2 THR 43 3.088 3.449 -2.129 285 H THR 44 H THR 44 -0.490 6.125 -1.681 286 HA THR 44 HA THR 44 -0.160 9.030 -1.496 287 HB THR 44 HB THR 44 -2.237 9.264 -2.890 288 HG1 THR 44 1HG THR 44 -3.282 7.499 -3.264 289 1HG2 THR 44 1HG2 THR 44 -1.155 8.467 -5.095 290 2HG2 THR 44 2HG2 THR 44 -0.395 9.764 -4.171 291 3HG2 THR 44 3HG2 THR 44 0.247 8.123 -4.081 292 H ALA 45 H ALA 45 -1.869 10.073 -0.298 293 HA ALA 45 HA ALA 45 -2.679 8.697 1.993 294 1HB ALA 45 1HB ALA 45 -3.612 11.269 0.765 295 2HB ALA 45 2HB ALA 45 -4.277 10.659 2.280 296 3HB ALA 45 3HB ALA 45 -2.556 11.027 2.156 297 H ASN 46 H ASN 46 -4.597 9.525 -0.898 298 HA ASN 46 HA ASN 46 -6.547 7.526 0.033 299 1HB ASN 46 1HB ASN 46 -7.434 9.886 -0.119 300 2HB ASN 46 2HB ASN 46 -7.148 9.812 -1.857 301 1HD2 ASN 46 1HD2 ASN 46 -10.406 8.193 -0.206 302 2HD2 ASN 46 2HD2 ASN 46 -9.222 9.066 0.692 303 H TYR 47 H TYR 47 -6.018 5.729 -0.970 304 HA TYR 47 HA TYR 47 -4.743 5.641 -3.491 305 1HB TYR 47 1HB TYR 47 -4.482 3.888 -1.756 306 2HB TYR 47 2HB TYR 47 -6.146 3.388 -2.048 307 HD1 TYR 47 1HD TYR 47 -6.756 2.359 -4.236 308 HD2 TYR 47 2HD TYR 47 -2.731 3.270 -3.225 309 HE1 TYR 47 1HE TYR 47 -5.969 0.882 -6.035 310 HE2 TYR 47 2HE TYR 47 -1.943 1.798 -5.016 311 HH TYR 47 HH TYR 47 -3.426 -0.474 -6.326 312 H ASP 48 H ASP 48 -8.113 5.251 -2.506 313 HA ASP 48 HA ASP 48 -9.174 4.207 -4.831 314 1HB ASP 48 1HB ASP 48 -10.250 6.034 -2.728 315 2HB ASP 48 2HB ASP 48 -11.214 5.693 -4.160 316 H ASP 49 H ASP 49 -8.038 7.420 -4.203 317 HA ASP 49 HA ASP 49 -9.212 8.534 -6.599 318 1HB ASP 49 1HB ASP 49 -7.592 9.620 -4.330 319 2HB ASP 49 2HB ASP 49 -7.708 10.540 -5.825 320 H ASP 50 H ASP 50 -5.859 8.673 -5.425 321 HA ASP 50 HA ASP 50 -4.864 9.062 -8.071 322 1HB ASP 50 1HB ASP 50 -3.471 8.691 -5.425 323 2HB ASP 50 2HB ASP 50 -2.616 8.994 -6.932 324 H ARG 51 H ARG 51 -5.335 6.224 -6.185 325 HA ARG 51 HA ARG 51 -4.706 4.072 -6.405 326 1HB ARG 51 1HB ARG 51 -5.146 4.931 -9.238 327 2HB ARG 51 2HB ARG 51 -4.890 3.254 -8.783 328 1HG ARG 51 1HG ARG 51 -6.828 4.541 -7.117 329 2HG ARG 51 2HG ARG 51 -7.300 4.588 -8.813 330 1HD ARG 51 1HD ARG 51 -6.461 2.128 -7.294 331 2HD ARG 51 2HD ARG 51 -8.134 2.624 -7.522 332 HE ARG 51 HE ARG 51 -8.019 1.968 -9.759 333 1HH1 ARG 51 1HH1 ARG 51 -4.892 1.630 -8.215 334 2HH1 ARG 51 2HH1 ARG 51 -4.221 0.672 -9.494 335 1HH2 ARG 51 1HH2 ARG 51 -7.078 0.751 -11.485 336 2HH2 ARG 51 2HH2 ARG 51 -5.442 0.183 -11.330 337 H LYS 52 H LYS 52 -2.440 5.306 -5.786 338 HA LYS 52 HA LYS 52 -0.494 4.080 -7.612 339 1HB LYS 52 1HB LYS 52 -0.172 6.503 -5.828 340 2HB LYS 52 2HB LYS 52 1.181 5.697 -6.617 341 1HG LYS 52 1HG LYS 52 0.386 6.260 -8.770 342 2HG LYS 52 2HG LYS 52 -1.178 6.759 -8.145 343 1HD LYS 52 1HD LYS 52 -0.027 8.611 -6.939 344 2HD LYS 52 2HD LYS 52 1.470 8.137 -7.741 345 1HE LYS 52 1HE LYS 52 0.384 8.470 -9.926 346 2HE LYS 52 2HE LYS 52 -1.074 9.020 -9.102 347 1HZ LYS 52 1HZ LYS 52 1.584 10.341 -8.812 348 2HZ LYS 52 2HZ LYS 52 0.403 10.816 -9.940 349 3HZ LYS 52 3HZ LYS 52 0.081 10.920 -8.275 350 H TRP 53 H TRP 53 0.341 2.321 -6.866 351 HA TRP 53 HA TRP 53 0.506 1.919 -3.956 352 1HB TRP 53 1HB TRP 53 -0.240 -0.345 -4.324 353 2HB TRP 53 2HB TRP 53 -1.387 0.767 -4.971 354 HD1 TRP 53 HD1 TRP 53 -0.971 1.188 -7.843 355 HE1 TRP 53 1HE TRP 53 -0.530 -0.690 -9.556 356 HE3 TRP 53 3HE TRP 53 0.544 -2.334 -4.608 357 HZ2 TRP 53 2HZ TRP 53 0.358 -3.419 -9.481 358 HZ3 TRP 53 3HZ TRP 53 1.178 -4.584 -5.453 359 HH2 TRP 53 HH2 TRP 53 1.086 -5.107 -7.841 360 H GLY 54 H GLY 54 1.698 0.004 -3.361 361 1HA GLY 54 1HA GLY 54 3.828 -1.004 -4.981 362 2HA GLY 54 2HA GLY 54 4.399 0.156 -3.783 363 H PHE 55 H PHE 55 4.662 -2.838 -4.067 364 HA PHE 55 HA PHE 55 3.202 -4.196 -2.154 365 1HB PHE 55 1HB PHE 55 5.983 -4.547 -3.237 366 2HB PHE 55 2HB PHE 55 5.308 -5.655 -2.056 367 HD1 PHE 55 1HD PHE 55 2.467 -4.922 -3.629 368 HD2 PHE 55 2HD PHE 55 6.205 -6.728 -4.561 369 HE1 PHE 55 1HE PHE 55 1.386 -6.244 -5.399 370 HE2 PHE 55 2HE PHE 55 5.125 -8.061 -6.324 371 HZ PHE 55 HZ PHE 55 2.707 -7.808 -6.751 372 H CYS 56 H CYS 56 3.778 -4.905 -0.036 373 HA CYS 56 HA CYS 56 4.341 -2.877 1.761 374 1HB CYS 56 1HB CYS 56 3.233 -5.136 2.180 375 2HB CYS 56 2HB CYS 56 4.857 -5.797 2.315 376 HA PRO 57 HA PRO 57 8.734 -2.447 1.544 377 1HB PRO 57 1HB PRO 57 9.210 -1.116 3.804 378 2HB PRO 57 2HB PRO 57 8.382 -0.357 2.434 379 1HG PRO 57 1HG PRO 57 7.209 -1.711 4.818 380 2HG PRO 57 2HG PRO 57 6.835 -0.083 4.211 381 1HD PRO 57 1HD PRO 57 5.252 -2.151 3.633 382 2HD PRO 57 2HD PRO 57 5.642 -0.951 2.377 383 H ASP 58 H ASP 58 7.243 -4.488 3.359 384 HA ASP 58 HA ASP 58 9.679 -5.753 4.334 385 1HB ASP 58 1HB ASP 58 8.654 -4.501 6.233 386 2HB ASP 58 2HB ASP 58 7.203 -5.478 6.041 387 H GLN 59 H GLN 59 9.223 -7.024 2.415 388 HA GLN 59 HA GLN 59 6.889 -8.777 2.562 389 1HB GLN 59 1HB GLN 59 9.039 -8.554 0.440 390 2HB GLN 59 2HB GLN 59 7.602 -9.560 0.333 391 1HG GLN 59 1HG GLN 59 7.467 -6.577 0.641 392 2HG GLN 59 2HG GLN 59 7.567 -7.377 -0.929 393 1HE2 GLN 59 1HE2 GLN 59 4.188 -7.982 -1.094 394 2HE2 GLN 59 2HE2 GLN 59 5.723 -7.841 -1.872 395 H GLY 60 H GLY 60 10.414 -8.923 2.464 396 1HA GLY 60 1HA GLY 60 10.635 -11.076 4.248 397 2HA GLY 60 2HA GLY 60 10.722 -11.704 2.608 Start of MODEL 8 1 H SER 1 1H SER 1 16.224 9.110 1.693 2 HA SER 1 HA SER 1 13.541 9.290 0.585 3 1HB SER 1 1HB SER 1 15.361 6.865 0.363 4 2HB SER 1 2HB SER 1 13.650 6.914 -0.059 5 HG SER 1 HG SER 1 15.856 7.832 -1.457 6 H TRP 2 H TRP 2 12.265 7.475 1.716 7 HA TRP 2 HA TRP 2 13.196 7.245 4.509 8 1HB TRP 2 1HB TRP 2 10.338 7.347 3.498 9 2HB TRP 2 2HB TRP 2 10.834 7.187 5.184 10 HD1 TRP 2 HD1 TRP 2 12.889 9.430 5.568 11 HE1 TRP 2 1HE TRP 2 12.280 11.918 5.329 12 HE3 TRP 2 3HE TRP 2 8.668 8.960 2.720 13 HZ2 TRP 2 2HZ TRP 2 10.266 13.474 4.113 14 HZ3 TRP 2 3HZ TRP 2 7.458 10.998 2.069 15 HH2 TRP 2 HH2 TRP 2 8.243 13.216 2.750 16 H MET 3 H MET 3 10.336 5.563 3.751 17 HA MET 3 HA MET 3 11.795 3.039 3.826 18 1HB MET 3 1HB MET 3 8.821 3.615 3.962 19 2HB MET 3 2HB MET 3 9.548 2.019 4.095 20 1HG MET 3 1HG MET 3 10.722 2.692 6.109 21 2HG MET 3 2HG MET 3 10.045 4.315 5.975 22 1HE MET 3 1HE MET 3 9.991 3.380 8.387 23 2HE MET 3 2HE MET 3 8.384 4.030 8.717 24 3HE MET 3 3HE MET 3 8.733 2.329 9.038 25 H SER 4 H SER 4 11.076 1.295 2.216 26 HA SER 4 HA SER 4 10.452 2.604 -0.350 27 1HB SER 4 1HB SER 4 12.404 0.343 0.128 28 2HB SER 4 2HB SER 4 11.991 1.014 -1.451 29 HG SER 4 HG SER 4 13.366 2.252 0.701 30 H THR 5 H THR 5 9.601 1.160 -2.022 31 HA THR 5 HA THR 5 7.930 -0.967 -0.879 32 HB THR 5 HB THR 5 6.437 -0.314 -2.903 33 HG1 THR 5 1HG THR 5 7.539 2.235 -2.509 34 1HG2 THR 5 1HG2 THR 5 6.523 1.717 -0.703 35 2HG2 THR 5 2HG2 THR 5 5.137 1.194 -1.662 36 3HG2 THR 5 3HG2 THR 5 5.866 0.094 -0.493 37 H VAL 6 H VAL 6 7.242 -2.568 -2.401 38 HA VAL 6 HA VAL 6 9.184 -3.117 -4.567 39 HB VAL 6 HB VAL 6 7.668 -5.418 -3.630 40 1HG1 VAL 6 1HG1 VAL 6 9.718 -5.320 -5.115 41 2HG1 VAL 6 2HG1 VAL 6 10.646 -5.080 -3.634 42 3HG1 VAL 6 3HG1 VAL 6 9.703 -6.554 -3.854 43 1HG2 VAL 6 1HG2 VAL 6 7.979 -4.083 -1.480 44 2HG2 VAL 6 2HG2 VAL 6 8.528 -5.758 -1.484 45 3HG2 VAL 6 3HG2 VAL 6 9.696 -4.442 -1.649 46 H GLY 7 H GLY 7 7.721 -5.154 -5.719 47 1HA GLY 7 1HA GLY 7 6.112 -5.302 -7.410 48 2HA GLY 7 2HA GLY 7 5.059 -5.071 -6.049 49 H GLY 8 H GLY 8 3.549 -3.740 -6.489 50 1HA GLY 8 1HA GLY 8 2.366 -2.051 -7.557 51 2HA GLY 8 2HA GLY 8 3.467 -1.136 -6.562 52 H ASN 9 H ASN 9 3.817 0.596 -7.677 53 HA ASN 9 HA ASN 9 5.441 0.448 -10.029 54 1HB ASN 9 1HB ASN 9 3.966 1.893 -11.434 55 2HB ASN 9 2HB ASN 9 3.361 0.267 -11.198 56 1HD2 ASN 9 1HD2 ASN 9 1.239 2.395 -8.659 57 2HD2 ASN 9 2HD2 ASN 9 2.850 1.828 -8.397 58 H SER 10 H SER 10 5.627 1.399 -7.353 59 HA SER 10 HA SER 10 5.602 4.290 -7.501 60 1HB SER 10 1HB SER 10 6.774 3.716 -5.143 61 2HB SER 10 2HB SER 10 5.026 3.755 -5.357 62 HG SER 10 HG SER 10 6.352 1.749 -4.468 63 H GLY 11 H GLY 11 7.972 1.666 -7.107 64 1HA GLY 11 1HA GLY 11 10.147 1.680 -8.041 65 2HA GLY 11 2HA GLY 11 10.020 3.419 -8.247 66 H GLY 12 H GLY 12 10.043 4.735 -6.238 67 1HA GLY 12 1HA GLY 12 11.538 3.401 -4.072 68 2HA GLY 12 2HA GLY 12 12.135 4.898 -4.766 69 H ALA 13 H ALA 13 8.717 4.577 -4.513 70 HA ALA 13 HA ALA 13 8.673 6.701 -2.529 71 1HB ALA 13 1HB ALA 13 7.155 6.392 -4.667 72 2HB ALA 13 2HB ALA 13 6.170 5.456 -3.541 73 3HB ALA 13 3HB ALA 13 6.535 7.147 -3.196 74 HA PRO 14 HA PRO 14 7.787 3.882 0.770 75 1HB PRO 14 1HB PRO 14 7.272 5.671 2.707 76 2HB PRO 14 2HB PRO 14 8.896 5.458 2.039 77 1HG PRO 14 1HG PRO 14 6.924 7.635 1.577 78 2HG PRO 14 2HG PRO 14 8.693 7.692 1.582 79 1HD PRO 14 1HD PRO 14 7.016 7.572 -0.683 80 2HD PRO 14 2HD PRO 14 8.775 7.355 -0.662 81 H CYS 15 H CYS 15 6.044 3.341 2.336 82 HA CYS 15 HA CYS 15 3.452 3.644 1.086 83 1HB CYS 15 1HB CYS 15 3.820 2.412 3.799 84 2HB CYS 15 2HB CYS 15 2.708 1.953 2.520 85 H VAL 16 H VAL 16 1.823 5.005 1.783 86 HA VAL 16 HA VAL 16 2.474 6.800 4.008 87 HB VAL 16 HB VAL 16 0.340 7.010 1.873 88 1HG1 VAL 16 1HG1 VAL 16 1.033 8.929 4.098 89 2HG1 VAL 16 2HG1 VAL 16 -0.088 9.259 2.775 90 3HG1 VAL 16 3HG1 VAL 16 -0.458 7.996 3.948 91 1HG2 VAL 16 1HG2 VAL 16 2.724 7.394 1.192 92 2HG2 VAL 16 2HG2 VAL 16 1.655 8.778 0.954 93 3HG2 VAL 16 3HG2 VAL 16 2.763 8.744 2.325 94 H PHE 17 H PHE 17 1.705 6.289 5.947 95 HA PHE 17 HA PHE 17 -0.868 4.877 6.100 96 1HB PHE 17 1HB PHE 17 1.576 4.704 7.853 97 2HB PHE 17 2HB PHE 17 0.022 4.043 8.313 98 HD1 PHE 17 1HD PHE 17 -0.236 3.422 5.061 99 HD2 PHE 17 2HD PHE 17 2.264 2.328 8.312 100 HE1 PHE 17 1HE PHE 17 0.379 1.358 3.887 101 HE2 PHE 17 2HE PHE 17 2.896 0.257 7.160 102 HZ PHE 17 HZ PHE 17 1.963 -0.256 4.918 103 HA PRO 18 HA PRO 18 -2.296 4.384 7.333 104 1HB PRO 18 1HB PRO 18 -4.853 5.397 7.957 105 2HB PRO 18 2HB PRO 18 -3.837 4.393 8.991 106 1HG PRO 18 1HG PRO 18 -4.557 7.077 9.446 107 2HG PRO 18 2HG PRO 18 -3.322 6.153 10.313 108 1HD PRO 18 1HD PRO 18 -3.012 8.141 8.124 109 2HD PRO 18 2HD PRO 18 -1.911 7.746 9.462 110 H PHE 19 H PHE 19 -3.084 3.815 5.329 111 HA PHE 19 HA PHE 19 -4.085 6.070 3.715 112 1HB PHE 19 1HB PHE 19 -3.444 4.896 1.725 113 2HB PHE 19 2HB PHE 19 -2.069 4.915 2.806 114 HD1 PHE 19 1HD PHE 19 -4.584 2.837 1.176 115 HD2 PHE 19 2HD PHE 19 -1.213 2.887 3.760 116 HE1 PHE 19 1HE PHE 19 -4.316 0.429 0.843 117 HE2 PHE 19 2HE PHE 19 -0.939 0.455 3.443 118 HZ PHE 19 HZ PHE 19 -2.484 -0.775 1.977 119 H THR 20 H THR 20 -5.453 4.728 1.764 120 HA THR 20 HA THR 20 -7.370 3.017 3.119 121 HB THR 20 HB THR 20 -8.132 5.689 1.887 122 HG1 THR 20 1HG THR 20 -7.436 5.095 4.326 123 1HG2 THR 20 1HG2 THR 20 -10.391 4.860 3.070 124 2HG2 THR 20 2HG2 THR 20 -10.043 4.647 1.354 125 3HG2 THR 20 3HG2 THR 20 -9.765 3.318 2.484 126 H PHE 21 H PHE 21 -7.991 1.446 1.818 127 HA PHE 21 HA PHE 21 -7.674 1.849 -1.098 128 1HB PHE 21 1HB PHE 21 -6.147 0.112 -0.036 129 2HB PHE 21 2HB PHE 21 -7.593 -0.766 0.402 130 HD1 PHE 21 1HD PHE 21 -5.889 0.626 -2.607 131 HD2 PHE 21 2HD PHE 21 -8.483 -2.357 -1.034 132 HE1 PHE 21 1HE PHE 21 -5.796 -0.571 -4.739 133 HE2 PHE 21 2HE PHE 21 -8.399 -3.550 -3.176 134 HZ PHE 21 HZ PHE 21 -7.056 -2.660 -5.040 135 H LEU 22 H LEU 22 -9.370 1.473 -2.287 136 HA LEU 22 HA LEU 22 -11.580 1.392 -2.757 137 1HB LEU 22 1HB LEU 22 -10.352 -1.195 -2.073 138 2HB LEU 22 2HB LEU 22 -12.005 -1.170 -2.659 139 HG LEU 22 HG LEU 22 -10.309 -1.560 -4.426 140 1HD1 LEU 22 1HD1 LEU 22 -12.522 0.071 -4.377 141 2HD1 LEU 22 2HD1 LEU 22 -11.301 0.946 -5.303 142 3HD1 LEU 22 3HD1 LEU 22 -11.769 -0.686 -5.783 143 1HD2 LEU 22 1HD2 LEU 22 -8.695 0.147 -3.386 144 2HD2 LEU 22 2HD2 LEU 22 -8.817 0.023 -5.138 145 3HD2 LEU 22 3HD2 LEU 22 -9.649 1.327 -4.290 146 H GLY 23 H GLY 23 -11.556 2.446 -0.289 147 1HA GLY 23 1HA GLY 23 -13.483 2.937 1.025 148 2HA GLY 23 2HA GLY 23 -14.002 1.276 0.841 149 H ASN 24 H ASN 24 -11.027 0.492 1.751 150 HA ASN 24 HA ASN 24 -11.725 0.824 4.599 151 1HB ASN 24 1HB ASN 24 -9.959 -1.313 3.407 152 2HB ASN 24 2HB ASN 24 -10.666 -1.266 5.018 153 1HD2 ASN 24 1HD2 ASN 24 -12.574 -3.085 2.093 154 2HD2 ASN 24 2HD2 ASN 24 -10.904 -2.632 2.081 155 H LYS 25 H LYS 25 -10.314 1.730 5.994 156 HA LYS 25 HA LYS 25 -7.987 3.050 5.019 157 1HB LYS 25 1HB LYS 25 -8.543 2.661 7.920 158 2HB LYS 25 2HB LYS 25 -7.995 4.077 7.060 159 1HG LYS 25 1HG LYS 25 -10.152 4.625 6.313 160 2HG LYS 25 2HG LYS 25 -10.787 3.048 6.795 161 1HD LYS 25 1HD LYS 25 -9.708 5.146 8.670 162 2HD LYS 25 2HD LYS 25 -11.419 4.842 8.352 163 1HE LYS 25 1HE LYS 25 -11.288 2.662 9.298 164 2HE LYS 25 2HE LYS 25 -9.530 2.741 9.402 165 1HZ LYS 25 1HZ LYS 25 -10.046 4.793 10.909 166 2HZ LYS 25 2HZ LYS 25 -11.558 4.035 11.098 167 3HZ LYS 25 3HZ LYS 25 -10.132 3.222 11.545 168 H TYR 26 H TYR 26 -5.907 2.228 5.004 169 HA TYR 26 HA TYR 26 -5.445 -0.142 6.662 170 1HB TYR 26 1HB TYR 26 -4.128 0.562 4.049 171 2HB TYR 26 2HB TYR 26 -3.790 -0.857 5.026 172 HD1 TYR 26 1HD TYR 26 -6.778 -1.309 5.776 173 HD2 TYR 26 2HD TYR 26 -4.775 -0.669 2.094 174 HE1 TYR 26 1HE TYR 26 -8.540 -2.528 4.602 175 HE2 TYR 26 2HE TYR 26 -6.536 -1.875 0.908 176 HH TYR 26 HH TYR 26 -8.526 -3.913 2.154 177 H GLU 27 H GLU 27 -4.417 0.375 8.295 178 HA GLU 27 HA GLU 27 -2.565 2.588 8.414 179 1HB GLU 27 1HB GLU 27 -3.451 0.667 10.559 180 2HB GLU 27 2HB GLU 27 -2.662 2.205 10.793 181 1HG GLU 27 1HG GLU 27 -4.545 3.426 10.152 182 2HG GLU 27 2HG GLU 27 -5.303 2.023 9.406 183 H SER 28 H SER 28 -2.463 -0.647 7.743 184 HA SER 28 HA SER 28 0.429 -0.758 8.155 185 1HB SER 28 1HB SER 28 0.076 -3.215 8.630 186 2HB SER 28 2HB SER 28 -0.510 -2.148 9.899 187 HG SER 28 HG SER 28 -2.019 -3.501 7.905 188 H CYS 29 H CYS 29 0.838 -3.191 6.841 189 HA CYS 29 HA CYS 29 0.241 -2.423 4.144 190 1HB CYS 29 1HB CYS 29 1.522 -4.938 5.214 191 2HB CYS 29 2HB CYS 29 1.391 -4.522 3.521 192 H THR 30 H THR 30 -0.714 -4.115 2.653 193 HA THR 30 HA THR 30 -2.800 -5.733 3.906 194 HB THR 30 HB THR 30 -3.816 -3.463 3.525 195 HG1 THR 30 1HG THR 30 -5.266 -5.104 3.410 196 1HG2 THR 30 1HG2 THR 30 -4.310 -3.369 0.836 197 2HG2 THR 30 2HG2 THR 30 -3.152 -2.360 1.706 198 3HG2 THR 30 3HG2 THR 30 -2.609 -3.830 0.897 199 H SER 31 H SER 31 -4.030 -6.946 2.149 200 HA SER 31 HA SER 31 -2.247 -7.542 -0.106 201 1HB SER 31 1HB SER 31 -3.169 -9.925 0.100 202 2HB SER 31 2HB SER 31 -2.027 -9.402 1.347 203 HG SER 31 HG SER 31 -4.872 -9.514 1.546 204 H ALA 32 H ALA 32 -4.613 -5.806 0.426 205 HA ALA 32 HA ALA 32 -6.941 -6.741 -0.802 206 1HB ALA 32 1HB ALA 32 -6.000 -4.305 0.305 207 2HB ALA 32 2HB ALA 32 -6.631 -3.938 -1.302 208 3HB ALA 32 3HB ALA 32 -7.657 -4.739 -0.112 209 H GLY 33 H GLY 33 -7.724 -6.728 -2.847 210 1HA GLY 33 1HA GLY 33 -7.752 -6.530 -5.141 211 2HA GLY 33 2HA GLY 33 -6.407 -5.402 -5.016 212 H ARG 34 H ARG 34 -5.438 -8.070 -3.351 213 HA ARG 34 HA ARG 34 -4.102 -9.123 -5.743 214 1HB ARG 34 1HB ARG 34 -3.262 -9.337 -2.850 215 2HB ARG 34 2HB ARG 34 -2.376 -9.937 -4.226 216 1HG ARG 34 1HG ARG 34 -2.611 -7.350 -4.926 217 2HG ARG 34 2HG ARG 34 -2.593 -7.212 -3.171 218 1HD ARG 34 1HD ARG 34 -0.327 -7.094 -4.175 219 2HD ARG 34 2HD ARG 34 -0.516 -8.430 -3.037 220 HE ARG 34 HE ARG 34 -0.148 -9.897 -4.738 221 1HH1 ARG 34 1HH1 ARG 34 -0.875 -6.752 -6.081 222 2HH1 ARG 34 2HH1 ARG 34 -0.602 -7.233 -7.729 223 1HH2 ARG 34 1HH2 ARG 34 0.185 -10.551 -6.913 224 2HH2 ARG 34 2HH2 ARG 34 -0.032 -9.406 -8.200 225 H SER 35 H SER 35 -5.013 -10.328 -2.534 226 HA SER 35 HA SER 35 -6.004 -12.228 -1.807 227 1HB SER 35 1HB SER 35 -7.728 -11.557 -3.550 228 2HB SER 35 2HB SER 35 -6.948 -12.700 -4.644 229 HG SER 35 HG SER 35 -7.451 -14.365 -3.216 230 H ASP 36 H ASP 36 -3.298 -12.156 -3.319 231 HA ASP 36 HA ASP 36 -3.087 -15.011 -3.861 232 1HB ASP 36 1HB ASP 36 -0.736 -14.258 -4.703 233 2HB ASP 36 2HB ASP 36 -2.147 -14.010 -5.707 234 H GLY 37 H GLY 37 -0.576 -12.857 -2.778 235 1HA GLY 37 1HA GLY 37 -0.543 -13.949 -0.149 236 2HA GLY 37 2HA GLY 37 0.760 -14.561 -1.141 237 H LYS 38 H LYS 38 1.473 -12.286 -2.574 238 HA LYS 38 HA LYS 38 3.104 -10.968 -0.735 239 1HB LYS 38 1HB LYS 38 2.298 -10.148 -3.525 240 2HB LYS 38 2HB LYS 38 3.652 -9.486 -2.618 241 1HG LYS 38 1HG LYS 38 4.568 -11.043 -4.092 242 2HG LYS 38 2HG LYS 38 4.588 -11.823 -2.525 243 1HD LYS 38 1HD LYS 38 3.918 -13.419 -4.165 244 2HD LYS 38 2HD LYS 38 2.502 -13.011 -3.194 245 1HE LYS 38 1HE LYS 38 1.723 -11.504 -4.937 246 2HE LYS 38 2HE LYS 38 3.168 -11.832 -5.892 247 1HZ LYS 38 1HZ LYS 38 1.430 -14.071 -5.090 248 2HZ LYS 38 2HZ LYS 38 0.972 -13.082 -6.398 249 3HZ LYS 38 3HZ LYS 38 2.448 -13.923 -6.444 250 H MET 39 H MET 39 2.659 -9.375 0.644 251 HA MET 39 HA MET 39 0.172 -7.911 0.310 252 1HB MET 39 1HB MET 39 2.160 -7.803 2.589 253 2HB MET 39 2HB MET 39 0.545 -7.115 2.564 254 1HG MET 39 1HG MET 39 -0.379 -9.402 2.308 255 2HG MET 39 2HG MET 39 1.255 -10.033 2.512 256 1HE MET 39 1HE MET 39 -1.044 -11.014 3.995 257 2HE MET 39 2HE MET 39 0.341 -11.531 4.954 258 3HE MET 39 3HE MET 39 -1.016 -10.722 5.736 259 H TRP 40 H TRP 40 0.104 -5.623 0.305 260 HA TRP 40 HA TRP 40 2.629 -4.313 -0.426 261 1HB TRP 40 1HB TRP 40 1.378 -3.015 -2.143 262 2HB TRP 40 2HB TRP 40 1.423 -4.741 -2.493 263 HD1 TRP 40 HD1 TRP 40 -0.957 -6.098 -1.670 264 HE1 TRP 40 1HE TRP 40 -3.379 -5.259 -1.849 265 HE3 TRP 40 3HE TRP 40 -0.058 -1.107 -2.247 266 HZ2 TRP 40 2HZ TRP 40 -4.725 -2.817 -2.168 267 HZ3 TRP 40 3HZ TRP 40 -1.971 0.415 -2.461 268 HH2 TRP 40 HH2 TRP 40 -4.251 -0.429 -2.432 269 H CYS 41 H CYS 41 1.691 -1.792 -0.860 270 HA CYS 41 HA CYS 41 0.049 -0.851 1.312 271 1HB CYS 41 1HB CYS 41 1.889 0.607 2.233 272 2HB CYS 41 2HB CYS 41 2.095 -1.108 2.572 273 H ALA 42 H ALA 42 -0.675 1.278 0.886 274 HA ALA 42 HA ALA 42 -0.258 2.164 -1.820 275 1HB ALA 42 1HB ALA 42 -2.417 2.399 -0.441 276 2HB ALA 42 2HB ALA 42 -1.625 3.787 0.303 277 3HB ALA 42 3HB ALA 42 -1.916 3.767 -1.437 278 H THR 43 H THR 43 0.698 4.124 -2.457 279 HA THR 43 HA THR 43 2.706 5.078 -0.550 280 HB THR 43 HB THR 43 3.980 5.780 -2.530 281 HG1 THR 43 1HG THR 43 2.657 6.201 -4.161 282 1HG2 THR 43 1HG2 THR 43 3.565 3.223 -3.609 283 2HG2 THR 43 2HG2 THR 43 4.817 3.731 -2.476 284 3HG2 THR 43 3HG2 THR 43 3.290 3.089 -1.872 285 H THR 44 H THR 44 -0.208 5.808 -1.108 286 HA THR 44 HA THR 44 0.157 8.695 -0.894 287 HB THR 44 HB THR 44 -1.928 8.984 -2.314 288 HG1 THR 44 1HG THR 44 -2.870 7.265 -3.024 289 1HG2 THR 44 1HG2 THR 44 -0.273 7.812 -4.331 290 2HG2 THR 44 2HG2 THR 44 -0.599 9.514 -3.997 291 3HG2 THR 44 3HG2 THR 44 0.720 8.686 -3.165 292 H ALA 45 H ALA 45 -1.614 9.719 0.254 293 HA ALA 45 HA ALA 45 -2.500 8.238 2.466 294 1HB ALA 45 1HB ALA 45 -3.000 10.958 1.412 295 2HB ALA 45 2HB ALA 45 -4.174 10.320 2.564 296 3HB ALA 45 3HB ALA 45 -2.473 10.432 3.012 297 H ASN 46 H ASN 46 -4.295 9.304 -0.423 298 HA ASN 46 HA ASN 46 -6.372 7.347 0.297 299 1HB ASN 46 1HB ASN 46 -7.150 9.744 0.231 300 2HB ASN 46 2HB ASN 46 -6.761 9.758 -1.491 301 1HD2 ASN 46 1HD2 ASN 46 -10.173 8.179 -0.143 302 2HD2 ASN 46 2HD2 ASN 46 -9.009 8.913 0.895 303 H TYR 47 H TYR 47 -5.949 5.582 -0.788 304 HA TYR 47 HA TYR 47 -4.602 5.579 -3.304 305 1HB TYR 47 1HB TYR 47 -4.343 3.789 -1.594 306 2HB TYR 47 2HB TYR 47 -5.998 3.289 -1.912 307 HD1 TYR 47 1HD TYR 47 -6.554 2.544 -4.335 308 HD2 TYR 47 2HD TYR 47 -2.592 2.912 -2.833 309 HE1 TYR 47 1HE TYR 47 -5.730 1.075 -6.127 310 HE2 TYR 47 2HE TYR 47 -1.773 1.447 -4.620 311 HH TYR 47 HH TYR 47 -3.391 -0.554 -6.265 312 H ASP 48 H ASP 48 -7.945 5.261 -2.275 313 HA ASP 48 HA ASP 48 -9.171 4.189 -4.466 314 1HB ASP 48 1HB ASP 48 -10.105 6.471 -2.732 315 2HB ASP 48 2HB ASP 48 -11.127 5.655 -3.904 316 H ASP 49 H ASP 49 -8.090 7.518 -4.077 317 HA ASP 49 HA ASP 49 -9.051 8.212 -6.740 318 1HB ASP 49 1HB ASP 49 -8.259 9.731 -4.319 319 2HB ASP 49 2HB ASP 49 -7.962 10.507 -5.876 320 H ASP 50 H ASP 50 -5.958 7.886 -5.041 321 HA ASP 50 HA ASP 50 -4.550 8.914 -7.359 322 1HB ASP 50 1HB ASP 50 -3.668 8.030 -4.635 323 2HB ASP 50 2HB ASP 50 -2.504 8.363 -5.914 324 H ARG 51 H ARG 51 -5.155 5.780 -5.928 325 HA ARG 51 HA ARG 51 -4.538 3.687 -6.451 326 1HB ARG 51 1HB ARG 51 -4.747 4.858 -9.197 327 2HB ARG 51 2HB ARG 51 -4.806 3.140 -8.811 328 1HG ARG 51 1HG ARG 51 -6.622 4.270 -7.089 329 2HG ARG 51 2HG ARG 51 -6.867 5.150 -8.602 330 1HD ARG 51 1HD ARG 51 -6.675 2.174 -8.522 331 2HD ARG 51 2HD ARG 51 -8.191 3.005 -8.181 332 HE ARG 51 HE ARG 51 -8.368 3.586 -10.420 333 1HH1 ARG 51 1HH1 ARG 51 -5.318 1.958 -9.858 334 2HH1 ARG 51 2HH1 ARG 51 -4.928 1.830 -11.543 335 1HH2 ARG 51 1HH2 ARG 51 -7.878 3.399 -12.623 336 2HH2 ARG 51 2HH2 ARG 51 -6.372 2.680 -13.109 337 H LYS 52 H LYS 52 -2.290 4.929 -5.652 338 HA LYS 52 HA LYS 52 -0.267 3.824 -7.468 339 1HB LYS 52 1HB LYS 52 -0.097 6.234 -5.657 340 2HB LYS 52 2HB LYS 52 1.333 5.464 -6.344 341 1HG LYS 52 1HG LYS 52 0.899 6.223 -8.453 342 2HG LYS 52 2HG LYS 52 -0.850 6.191 -8.223 343 1HD LYS 52 1HD LYS 52 -0.241 8.461 -8.411 344 2HD LYS 52 2HD LYS 52 -0.542 8.176 -6.696 345 1HE LYS 52 1HE LYS 52 1.833 8.014 -6.270 346 2HE LYS 52 2HE LYS 52 2.186 8.162 -7.991 347 1HZ LYS 52 1HZ LYS 52 0.582 10.322 -6.961 348 2HZ LYS 52 2HZ LYS 52 2.097 10.210 -6.206 349 3HZ LYS 52 3HZ LYS 52 2.001 10.370 -7.900 350 H TRP 53 H TRP 53 0.579 2.028 -6.713 351 HA TRP 53 HA TRP 53 0.734 1.671 -3.799 352 1HB TRP 53 1HB TRP 53 -0.090 -0.572 -4.059 353 2HB TRP 53 2HB TRP 53 -1.204 0.529 -4.765 354 HD1 TRP 53 HD1 TRP 53 -0.820 0.742 -7.673 355 HE1 TRP 53 1HE TRP 53 -0.467 -1.266 -9.258 356 HE3 TRP 53 3HE TRP 53 0.674 -2.597 -4.238 357 HZ2 TRP 53 2HZ TRP 53 0.353 -3.992 -9.022 358 HZ3 TRP 53 3HZ TRP 53 1.242 -4.920 -4.944 359 HH2 TRP 53 HH2 TRP 53 1.082 -5.586 -7.288 360 H GLY 54 H GLY 54 1.901 -0.336 -3.241 361 1HA GLY 54 1HA GLY 54 3.995 -1.339 -4.901 362 2HA GLY 54 2HA GLY 54 4.602 -0.185 -3.712 363 H PHE 55 H PHE 55 4.971 -3.158 -3.914 364 HA PHE 55 HA PHE 55 3.459 -4.471 -1.966 365 1HB PHE 55 1HB PHE 55 6.209 -4.968 -3.081 366 2HB PHE 55 2HB PHE 55 5.510 -6.003 -1.852 367 HD1 PHE 55 1HD PHE 55 2.647 -5.478 -3.198 368 HD2 PHE 55 2HD PHE 55 6.401 -6.963 -4.529 369 HE1 PHE 55 1HE PHE 55 1.496 -6.851 -4.880 370 HE2 PHE 55 2HE PHE 55 5.256 -8.338 -6.224 371 HZ PHE 55 HZ PHE 55 2.802 -8.272 -6.409 372 H CYS 56 H CYS 56 4.058 -5.187 0.126 373 HA CYS 56 HA CYS 56 4.903 -3.135 1.875 374 1HB CYS 56 1HB CYS 56 3.342 -5.122 2.344 375 2HB CYS 56 2HB CYS 56 4.793 -6.098 2.511 376 HA PRO 57 HA PRO 57 9.285 -3.565 1.749 377 1HB PRO 57 1HB PRO 57 10.003 -2.710 4.190 378 2HB PRO 57 2HB PRO 57 9.394 -1.617 2.934 379 1HG PRO 57 1HG PRO 57 7.888 -2.993 5.109 380 2HG PRO 57 2HG PRO 57 7.892 -1.258 4.736 381 1HD PRO 57 1HD PRO 57 5.911 -2.788 3.867 382 2HD PRO 57 2HD PRO 57 6.640 -1.596 2.764 383 H ASP 58 H ASP 58 7.461 -5.556 3.357 384 HA ASP 58 HA ASP 58 9.720 -7.218 4.257 385 1HB ASP 58 1HB ASP 58 8.311 -6.416 6.159 386 2HB ASP 58 2HB ASP 58 6.934 -7.247 5.443 387 H GLN 59 H GLN 59 9.953 -8.468 2.450 388 HA GLN 59 HA GLN 59 7.566 -9.818 1.406 389 1HB GLN 59 1HB GLN 59 10.348 -9.538 0.266 390 2HB GLN 59 2HB GLN 59 9.065 -10.480 -0.484 391 1HG GLN 59 1HG GLN 59 8.880 -7.536 0.112 392 2HG GLN 59 2HG GLN 59 9.353 -8.213 -1.447 393 1HE2 GLN 59 1HE2 GLN 59 5.505 -7.718 -0.609 394 2HE2 GLN 59 2HE2 GLN 59 6.812 -7.001 0.269 395 H GLY 60 H GLY 60 8.233 -10.727 3.849 396 1HA GLY 60 1HA GLY 60 9.522 -13.313 3.244 397 2HA GLY 60 2HA GLY 60 9.694 -12.499 4.794 Start of MODEL 9 1 H SER 1 1H SER 1 17.962 4.662 6.856 2 HA SER 1 HA SER 1 17.303 5.590 4.691 3 1HB SER 1 1HB SER 1 18.738 3.100 3.723 4 2HB SER 1 2HB SER 1 17.774 4.193 2.725 5 HG SER 1 HG SER 1 19.287 5.787 3.001 6 H TRP 2 H TRP 2 15.246 5.004 4.160 7 HA TRP 2 HA TRP 2 14.194 2.655 5.561 8 1HB TRP 2 1HB TRP 2 12.797 5.040 4.323 9 2HB TRP 2 2HB TRP 2 11.980 3.717 5.151 10 HD1 TRP 2 HD1 TRP 2 12.759 3.416 7.847 11 HE1 TRP 2 1HE TRP 2 13.228 5.264 9.574 12 HE3 TRP 2 3HE TRP 2 13.563 7.330 4.648 13 HZ2 TRP 2 2HZ TRP 2 13.855 8.017 9.579 14 HZ3 TRP 2 3HZ TRP 2 14.098 9.536 5.600 15 HH2 TRP 2 HH2 TRP 2 14.240 9.870 8.015 16 H MET 3 H MET 3 13.643 0.870 4.471 17 HA MET 3 HA MET 3 14.030 0.659 1.696 18 1HB MET 3 1HB MET 3 14.450 -1.299 2.819 19 2HB MET 3 2HB MET 3 13.134 -1.060 3.957 20 1HG MET 3 1HG MET 3 12.530 -2.876 2.707 21 2HG MET 3 2HG MET 3 11.585 -1.548 2.052 22 1HE MET 3 1HE MET 3 11.103 -3.381 0.501 23 2HE MET 3 2HE MET 3 11.732 -3.181 -1.133 24 3HE MET 3 3HE MET 3 12.371 -4.456 -0.095 25 H SER 4 H SER 4 12.693 1.436 0.208 26 HA SER 4 HA SER 4 9.966 2.097 0.842 27 1HB SER 4 1HB SER 4 11.411 2.325 -1.808 28 2HB SER 4 2HB SER 4 9.906 3.128 -1.350 29 HG SER 4 HG SER 4 12.102 4.263 -1.138 30 H THR 5 H THR 5 8.766 1.714 -1.639 31 HA THR 5 HA THR 5 7.783 -0.915 -1.328 32 HB THR 5 HB THR 5 6.546 -0.347 -3.479 33 HG1 THR 5 1HG THR 5 7.435 2.282 -3.070 34 1HG2 THR 5 1HG2 THR 5 5.491 1.807 -2.277 35 2HG2 THR 5 2HG2 THR 5 5.129 0.145 -1.808 36 3HG2 THR 5 3HG2 THR 5 6.334 1.070 -0.914 37 H VAL 6 H VAL 6 7.523 -2.379 -3.291 38 HA VAL 6 HA VAL 6 10.018 -2.624 -4.739 39 HB VAL 6 HB VAL 6 10.385 -4.435 -3.485 40 1HG1 VAL 6 1HG1 VAL 6 7.948 -3.766 -2.366 41 2HG1 VAL 6 2HG1 VAL 6 7.828 -5.477 -2.775 42 3HG1 VAL 6 3HG1 VAL 6 9.136 -4.909 -1.738 43 1HG2 VAL 6 1HG2 VAL 6 8.191 -5.573 -5.168 44 2HG2 VAL 6 2HG2 VAL 6 9.905 -5.507 -5.579 45 3HG2 VAL 6 3HG2 VAL 6 9.354 -6.525 -4.247 46 H GLY 7 H GLY 7 6.878 -3.580 -4.507 47 1HA GLY 7 1HA GLY 7 6.464 -4.195 -7.284 48 2HA GLY 7 2HA GLY 7 5.263 -4.290 -6.028 49 H GLY 8 H GLY 8 3.858 -3.292 -7.670 50 1HA GLY 8 1HA GLY 8 2.580 -1.433 -8.146 51 2HA GLY 8 2HA GLY 8 3.640 -0.491 -7.125 52 H ASN 9 H ASN 9 3.396 1.202 -8.646 53 HA ASN 9 HA ASN 9 4.977 0.838 -11.116 54 1HB ASN 9 1HB ASN 9 3.768 3.019 -11.793 55 2HB ASN 9 2HB ASN 9 2.854 1.538 -11.874 56 1HD2 ASN 9 1HD2 ASN 9 0.802 2.408 -9.114 57 2HD2 ASN 9 2HD2 ASN 9 1.689 1.094 -9.790 58 H SER 10 H SER 10 4.380 2.631 -8.239 59 HA SER 10 HA SER 10 5.806 4.957 -8.566 60 1HB SER 10 1HB SER 10 5.830 3.369 -6.004 61 2HB SER 10 2HB SER 10 5.776 5.125 -6.210 62 HG SER 10 HG SER 10 3.695 4.576 -5.805 63 H GLY 11 H GLY 11 7.068 1.816 -7.451 64 1HA GLY 11 1HA GLY 11 9.199 0.970 -7.900 65 2HA GLY 11 2HA GLY 11 9.667 2.549 -8.510 66 H GLY 12 H GLY 12 10.354 4.170 -7.015 67 1HA GLY 12 1HA GLY 12 11.344 2.986 -4.499 68 2HA GLY 12 2HA GLY 12 12.113 4.311 -5.355 69 H ALA 13 H ALA 13 8.706 3.877 -4.464 70 HA ALA 13 HA ALA 13 8.936 6.375 -2.917 71 1HB ALA 13 1HB ALA 13 7.293 5.912 -5.052 72 2HB ALA 13 2HB ALA 13 6.230 5.584 -3.683 73 3HB ALA 13 3HB ALA 13 7.040 7.145 -3.817 74 HA PRO 14 HA PRO 14 7.722 4.038 0.624 75 1HB PRO 14 1HB PRO 14 6.860 6.408 1.989 76 2HB PRO 14 2HB PRO 14 8.386 5.545 2.166 77 1HG PRO 14 1HG PRO 14 8.106 8.076 1.081 78 2HG PRO 14 2HG PRO 14 9.499 7.008 0.834 79 1HD PRO 14 1HD PRO 14 7.200 7.581 -0.979 80 2HD PRO 14 2HD PRO 14 8.894 7.222 -1.368 81 H CYS 15 H CYS 15 5.877 3.382 1.813 82 HA CYS 15 HA CYS 15 3.388 3.784 0.421 83 1HB CYS 15 1HB CYS 15 3.489 2.471 3.109 84 2HB CYS 15 2HB CYS 15 2.550 2.034 1.688 85 H VAL 16 H VAL 16 1.583 4.951 1.154 86 HA VAL 16 HA VAL 16 2.151 6.748 3.419 87 HB VAL 16 HB VAL 16 0.191 7.206 1.164 88 1HG1 VAL 16 1HG1 VAL 16 0.988 8.818 3.564 89 2HG1 VAL 16 2HG1 VAL 16 0.402 9.608 2.098 90 3HG1 VAL 16 3HG1 VAL 16 -0.624 8.455 2.949 91 1HG2 VAL 16 1HG2 VAL 16 2.996 7.479 1.194 92 2HG2 VAL 16 2HG2 VAL 16 1.859 8.001 -0.052 93 3HG2 VAL 16 3HG2 VAL 16 2.312 9.103 1.248 94 H PHE 17 H PHE 17 1.348 5.488 5.103 95 HA PHE 17 HA PHE 17 -1.434 4.685 4.919 96 1HB PHE 17 1HB PHE 17 0.259 4.201 7.339 97 2HB PHE 17 2HB PHE 17 -1.156 3.340 6.790 98 HD1 PHE 17 1HD PHE 17 -0.985 1.836 4.812 99 HD2 PHE 17 2HD PHE 17 2.373 3.523 6.771 100 HE1 PHE 17 1HE PHE 17 0.439 0.080 3.851 101 HE2 PHE 17 2HE PHE 17 3.826 1.777 5.813 102 HZ PHE 17 HZ PHE 17 2.864 0.025 4.339 103 HA PRO 18 HA PRO 18 -2.912 4.125 6.115 104 1HB PRO 18 1HB PRO 18 -5.478 5.274 6.432 105 2HB PRO 18 2HB PRO 18 -4.655 4.177 7.540 106 1HG PRO 18 1HG PRO 18 -5.267 6.868 8.047 107 2HG PRO 18 2HG PRO 18 -4.139 5.863 8.973 108 1HD PRO 18 1HD PRO 18 -3.587 7.900 6.866 109 2HD PRO 18 2HD PRO 18 -2.625 7.446 8.290 110 H PHE 19 H PHE 19 -3.290 3.621 3.984 111 HA PHE 19 HA PHE 19 -4.022 5.869 2.240 112 1HB PHE 19 1HB PHE 19 -3.969 4.080 0.384 113 2HB PHE 19 2HB PHE 19 -2.450 4.648 1.042 114 HD1 PHE 19 1HD PHE 19 -1.288 3.143 2.769 115 HD2 PHE 19 2HD PHE 19 -4.489 1.869 0.279 116 HE1 PHE 19 1HE PHE 19 -0.593 0.802 3.058 117 HE2 PHE 19 2HE PHE 19 -3.786 -0.470 0.555 118 HZ PHE 19 HZ PHE 19 -1.836 -1.009 1.954 119 H THR 20 H THR 20 -5.661 4.412 0.364 120 HA THR 20 HA THR 20 -7.743 3.425 2.129 121 HB THR 20 HB THR 20 -8.363 5.753 0.307 122 HG1 THR 20 1HG THR 20 -7.178 5.733 2.756 123 1HG2 THR 20 1HG2 THR 20 -9.964 5.025 2.702 124 2HG2 THR 20 2HG2 THR 20 -10.449 5.835 1.213 125 3HG2 THR 20 3HG2 THR 20 -10.172 4.095 1.212 126 H PHE 21 H PHE 21 -8.667 1.848 1.469 127 HA PHE 21 HA PHE 21 -9.246 1.519 -1.274 128 1HB PHE 21 1HB PHE 21 -8.076 -0.414 0.362 129 2HB PHE 21 2HB PHE 21 -9.521 -1.061 -0.297 130 HD1 PHE 21 1HD PHE 21 -7.359 -2.482 -0.786 131 HD2 PHE 21 2HD PHE 21 -8.492 1.097 -2.748 132 HE1 PHE 21 1HE PHE 21 -6.428 -3.362 -2.855 133 HE2 PHE 21 2HE PHE 21 -7.632 0.194 -4.853 134 HZ PHE 21 HZ PHE 21 -6.552 -2.013 -4.920 135 H LEU 22 H LEU 22 -10.710 -0.586 -1.245 136 HA LEU 22 HA LEU 22 -13.124 0.354 -1.812 137 1HB LEU 22 1HB LEU 22 -12.737 -2.500 -1.104 138 2HB LEU 22 2HB LEU 22 -13.593 -1.821 -2.464 139 HG LEU 22 HG LEU 22 -11.720 -2.730 -3.507 140 1HD1 LEU 22 1HD1 LEU 22 -11.143 0.075 -2.918 141 2HD1 LEU 22 2HD1 LEU 22 -9.928 -0.919 -3.726 142 3HD1 LEU 22 3HD1 LEU 22 -11.529 -0.714 -4.444 143 1HD2 LEU 22 1HD2 LEU 22 -10.586 -2.453 -0.881 144 2HD2 LEU 22 2HD2 LEU 22 -10.422 -3.739 -2.077 145 3HD2 LEU 22 3HD2 LEU 22 -9.442 -2.279 -2.216 146 H GLY 23 H GLY 23 -12.818 1.304 0.634 147 1HA GLY 23 1HA GLY 23 -14.801 1.700 2.033 148 2HA GLY 23 2HA GLY 23 -14.943 -0.044 2.177 149 H ASN 24 H ASN 24 -11.646 0.639 2.336 150 HA ASN 24 HA ASN 24 -11.791 1.082 5.225 151 1HB ASN 24 1HB ASN 24 -9.936 -0.948 4.066 152 2HB ASN 24 2HB ASN 24 -10.510 -0.808 5.698 153 1HD2 ASN 24 1HD2 ASN 24 -12.360 -3.166 3.066 154 2HD2 ASN 24 2HD2 ASN 24 -10.866 -2.359 2.759 155 H LYS 25 H LYS 25 -10.185 2.318 6.065 156 HA LYS 25 HA LYS 25 -8.259 3.471 4.273 157 1HB LYS 25 1HB LYS 25 -7.653 4.212 6.872 158 2HB LYS 25 2HB LYS 25 -8.578 5.154 5.732 159 1HG LYS 25 1HG LYS 25 -9.904 5.164 7.619 160 2HG LYS 25 2HG LYS 25 -10.596 3.844 6.678 161 1HD LYS 25 1HD LYS 25 -9.475 2.210 8.022 162 2HD LYS 25 2HD LYS 25 -8.530 3.453 8.838 163 1HE LYS 25 1HE LYS 25 -10.365 2.642 10.241 164 2HE LYS 25 2HE LYS 25 -10.538 4.355 9.855 165 1HZ LYS 25 1HZ LYS 25 -11.880 2.924 7.876 166 2HZ LYS 25 2HZ LYS 25 -12.348 2.252 9.367 167 3HZ LYS 25 3HZ LYS 25 -12.553 3.911 9.082 168 H TYR 26 H TYR 26 -6.297 2.503 3.969 169 HA TYR 26 HA TYR 26 -5.712 0.279 5.727 170 1HB TYR 26 1HB TYR 26 -4.697 1.025 3.003 171 2HB TYR 26 2HB TYR 26 -4.091 -0.352 3.924 172 HD1 TYR 26 1HD TYR 26 -7.047 -0.657 5.158 173 HD2 TYR 26 2HD TYR 26 -5.467 -0.638 1.208 174 HE1 TYR 26 1HE TYR 26 -8.853 -2.091 4.450 175 HE2 TYR 26 2HE TYR 26 -7.282 -2.072 0.508 176 HH TYR 26 HH TYR 26 -9.199 -3.819 2.527 177 H GLU 27 H GLU 27 -4.832 0.909 7.436 178 HA GLU 27 HA GLU 27 -2.791 2.906 7.671 179 1HB GLU 27 1HB GLU 27 -3.704 0.902 9.720 180 2HB GLU 27 2HB GLU 27 -2.974 2.461 10.003 181 1HG GLU 27 1HG GLU 27 -4.907 3.625 9.415 182 2HG GLU 27 2HG GLU 27 -5.601 2.219 8.605 183 H SER 28 H SER 28 -2.773 -0.370 6.917 184 HA SER 28 HA SER 28 0.112 -0.492 7.282 185 1HB SER 28 1HB SER 28 -0.274 -2.946 7.890 186 2HB SER 28 2HB SER 28 -0.647 -1.768 9.139 187 HG SER 28 HG SER 28 -2.666 -2.363 9.062 188 H CYS 29 H CYS 29 0.750 -2.745 6.005 189 HA CYS 29 HA CYS 29 -0.041 -2.239 3.345 190 1HB CYS 29 1HB CYS 29 1.286 -4.690 4.490 191 2HB CYS 29 2HB CYS 29 1.099 -4.359 2.786 192 H THR 30 H THR 30 -1.070 -3.888 1.948 193 HA THR 30 HA THR 30 -3.041 -5.589 3.287 194 HB THR 30 HB THR 30 -4.203 -3.391 2.922 195 HG1 THR 30 1HG THR 30 -5.607 -5.015 2.758 196 1HG2 THR 30 1HG2 THR 30 -4.744 -2.985 0.431 197 2HG2 THR 30 2HG2 THR 30 -3.241 -2.358 1.107 198 3HG2 THR 30 3HG2 THR 30 -3.228 -3.835 0.141 199 H SER 31 H SER 31 -4.266 -6.856 1.580 200 HA SER 31 HA SER 31 -2.542 -7.414 -0.738 201 1HB SER 31 1HB SER 31 -3.218 -9.815 -0.525 202 2HB SER 31 2HB SER 31 -2.268 -9.240 0.853 203 HG SER 31 HG SER 31 -4.074 -9.201 2.104 204 H ALA 32 H ALA 32 -5.014 -5.837 0.013 205 HA ALA 32 HA ALA 32 -7.299 -6.877 -1.267 206 1HB ALA 32 1HB ALA 32 -6.388 -4.194 -0.335 207 2HB ALA 32 2HB ALA 32 -7.750 -4.258 -1.452 208 3HB ALA 32 3HB ALA 32 -7.842 -5.098 0.096 209 H GLY 33 H GLY 33 -8.182 -6.457 -3.300 210 1HA GLY 33 1HA GLY 33 -8.205 -5.872 -5.533 211 2HA GLY 33 2HA GLY 33 -6.814 -4.841 -5.235 212 H ARG 34 H ARG 34 -5.879 -7.690 -4.002 213 HA ARG 34 HA ARG 34 -4.674 -8.549 -6.536 214 1HB ARG 34 1HB ARG 34 -3.657 -8.975 -3.727 215 2HB ARG 34 2HB ARG 34 -2.842 -9.411 -5.214 216 1HG ARG 34 1HG ARG 34 -3.083 -6.839 -5.705 217 2HG ARG 34 2HG ARG 34 -3.176 -6.759 -3.947 218 1HD ARG 34 1HD ARG 34 -0.866 -6.514 -4.783 219 2HD ARG 34 2HD ARG 34 -1.058 -7.931 -3.743 220 HE ARG 34 HE ARG 34 -0.579 -9.281 -5.531 221 1HH1 ARG 34 1HH1 ARG 34 -1.264 -6.037 -6.653 222 2HH1 ARG 34 2HH1 ARG 34 -0.846 -6.372 -8.305 223 1HH2 ARG 34 1HH2 ARG 34 -0.041 -9.744 -7.705 224 2HH2 ARG 34 2HH2 ARG 34 -0.127 -8.489 -8.898 225 H SER 35 H SER 35 -5.349 -9.941 -3.349 226 HA SER 35 HA SER 35 -6.319 -11.864 -2.650 227 1HB SER 35 1HB SER 35 -7.378 -12.049 -5.480 228 2HB SER 35 2HB SER 35 -7.892 -13.064 -4.133 229 HG SER 35 HG SER 35 -9.105 -11.500 -3.424 230 H ASP 36 H ASP 36 -3.683 -11.697 -4.303 231 HA ASP 36 HA ASP 36 -3.424 -14.515 -4.995 232 1HB ASP 36 1HB ASP 36 -1.022 -13.662 -5.638 233 2HB ASP 36 2HB ASP 36 -2.383 -13.392 -6.704 234 H GLY 37 H GLY 37 -0.974 -12.448 -3.648 235 1HA GLY 37 1HA GLY 37 -0.983 -13.640 -1.083 236 2HA GLY 37 2HA GLY 37 0.277 -14.330 -2.085 237 H LYS 38 H LYS 38 0.817 -11.875 -3.537 238 HA LYS 38 HA LYS 38 2.709 -10.726 -1.776 239 1HB LYS 38 1HB LYS 38 1.740 -9.578 -4.390 240 2HB LYS 38 2HB LYS 38 3.302 -9.341 -3.625 241 1HG LYS 38 1HG LYS 38 3.804 -10.828 -5.278 242 2HG LYS 38 2HG LYS 38 3.567 -11.896 -3.917 243 1HD LYS 38 1HD LYS 38 1.374 -12.493 -4.701 244 2HD LYS 38 2HD LYS 38 1.464 -11.274 -5.979 245 1HE LYS 38 1HE LYS 38 3.306 -12.478 -7.015 246 2HE LYS 38 2HE LYS 38 3.296 -13.663 -5.707 247 1HZ LYS 38 1HZ LYS 38 1.034 -13.181 -7.582 248 2HZ LYS 38 2HZ LYS 38 2.151 -14.460 -7.707 249 3HZ LYS 38 3HZ LYS 38 1.104 -14.378 -6.370 250 H MET 39 H MET 39 2.333 -9.211 -0.266 251 HA MET 39 HA MET 39 -0.118 -7.661 -0.423 252 1HB MET 39 1HB MET 39 1.961 -7.762 1.773 253 2HB MET 39 2HB MET 39 0.384 -7.003 1.860 254 1HG MET 39 1HG MET 39 -0.703 -9.155 1.629 255 2HG MET 39 2HG MET 39 0.868 -9.946 1.511 256 1HE MET 39 1HE MET 39 -1.251 -10.907 3.279 257 2HE MET 39 2HE MET 39 0.259 -11.626 3.844 258 3HE MET 39 3HE MET 39 -0.835 -10.855 4.991 259 H TRP 40 H TRP 40 -0.161 -5.445 -0.579 260 HA TRP 40 HA TRP 40 2.400 -4.138 -1.261 261 1HB TRP 40 1HB TRP 40 1.052 -2.725 -2.826 262 2HB TRP 40 2HB TRP 40 1.066 -4.430 -3.285 263 HD1 TRP 40 HD1 TRP 40 -1.246 -5.843 -2.439 264 HE1 TRP 40 1HE TRP 40 -3.663 -5.028 -2.276 265 HE3 TRP 40 3HE TRP 40 -0.433 -0.795 -2.563 266 HZ2 TRP 40 2HZ TRP 40 -5.037 -2.619 -2.161 267 HZ3 TRP 40 3HZ TRP 40 -2.392 0.707 -2.383 268 HH2 TRP 40 HH2 TRP 40 -4.679 -0.211 -2.174 269 H CYS 41 H CYS 41 1.629 -1.630 -1.510 270 HA CYS 41 HA CYS 41 -0.035 -0.670 0.618 271 1HB CYS 41 1HB CYS 41 1.824 0.713 1.622 272 2HB CYS 41 2HB CYS 41 1.938 -1.010 1.970 273 H ALA 42 H ALA 42 -0.843 1.314 0.008 274 HA ALA 42 HA ALA 42 -0.176 2.223 -2.619 275 1HB ALA 42 1HB ALA 42 -2.428 2.420 -1.237 276 2HB ALA 42 2HB ALA 42 -1.734 3.986 -0.815 277 3HB ALA 42 3HB ALA 42 -2.000 3.569 -2.508 278 H THR 43 H THR 43 0.740 4.188 -3.219 279 HA THR 43 HA THR 43 2.602 5.227 -1.217 280 HB THR 43 HB THR 43 3.912 6.002 -3.163 281 HG1 THR 43 1HG THR 43 2.716 6.293 -4.900 282 1HG2 THR 43 1HG2 THR 43 4.140 3.648 -4.259 283 2HG2 THR 43 2HG2 THR 43 4.629 3.898 -2.582 284 3HG2 THR 43 3HG2 THR 43 3.072 3.155 -2.945 285 H THR 44 H THR 44 -0.310 5.878 -1.887 286 HA THR 44 HA THR 44 -0.018 8.778 -1.663 287 HB THR 44 HB THR 44 -2.146 8.986 -3.043 288 HG1 THR 44 1HG THR 44 -3.036 7.200 -3.631 289 1HG2 THR 44 1HG2 THR 44 0.113 7.857 -4.660 290 2HG2 THR 44 2HG2 THR 44 -1.098 9.042 -5.150 291 3HG2 THR 44 3HG2 THR 44 0.132 9.477 -3.964 292 H ALA 45 H ALA 45 -1.620 9.752 -0.373 293 HA ALA 45 HA ALA 45 -2.535 8.283 1.812 294 1HB ALA 45 1HB ALA 45 -2.251 10.730 1.813 295 2HB ALA 45 2HB ALA 45 -3.689 10.875 0.801 296 3HB ALA 45 3HB ALA 45 -3.825 10.228 2.434 297 H ASN 46 H ASN 46 -4.145 9.063 -1.214 298 HA ASN 46 HA ASN 46 -6.332 7.267 -0.425 299 1HB ASN 46 1HB ASN 46 -7.053 9.682 -0.761 300 2HB ASN 46 2HB ASN 46 -6.577 9.510 -2.451 301 1HD2 ASN 46 1HD2 ASN 46 -10.162 8.351 -1.252 302 2HD2 ASN 46 2HD2 ASN 46 -9.075 9.313 -0.318 303 H TYR 47 H TYR 47 -6.168 5.442 -1.495 304 HA TYR 47 HA TYR 47 -4.547 5.314 -3.882 305 1HB TYR 47 1HB TYR 47 -4.294 3.596 -2.109 306 2HB TYR 47 2HB TYR 47 -5.936 3.044 -2.451 307 HD1 TYR 47 1HD TYR 47 -2.710 3.695 -4.220 308 HD2 TYR 47 2HD TYR 47 -6.231 1.346 -3.953 309 HE1 TYR 47 1HE TYR 47 -1.881 2.267 -6.040 310 HE2 TYR 47 2HE TYR 47 -5.414 -0.090 -5.765 311 HH TYR 47 HH TYR 47 -2.888 -0.650 -6.695 312 H ASP 48 H ASP 48 -7.920 4.642 -2.967 313 HA ASP 48 HA ASP 48 -8.982 3.571 -5.212 314 1HB ASP 48 1HB ASP 48 -10.075 5.674 -3.372 315 2HB ASP 48 2HB ASP 48 -11.034 5.064 -4.716 316 H ASP 49 H ASP 49 -8.092 6.984 -4.847 317 HA ASP 49 HA ASP 49 -9.122 7.614 -7.486 318 1HB ASP 49 1HB ASP 49 -7.930 9.276 -5.279 319 2HB ASP 49 2HB ASP 49 -8.269 9.942 -6.872 320 H ASP 50 H ASP 50 -6.008 8.403 -5.929 321 HA ASP 50 HA ASP 50 -4.668 8.908 -8.337 322 1HB ASP 50 1HB ASP 50 -3.563 8.251 -5.609 323 2HB ASP 50 2HB ASP 50 -2.586 8.813 -6.959 324 H ARG 51 H ARG 51 -5.187 5.928 -6.668 325 HA ARG 51 HA ARG 51 -4.428 3.830 -6.916 326 1HB ARG 51 1HB ARG 51 -4.785 4.629 -9.776 327 2HB ARG 51 2HB ARG 51 -4.745 2.973 -9.172 328 1HG ARG 51 1HG ARG 51 -6.545 4.198 -7.517 329 2HG ARG 51 2HG ARG 51 -6.891 4.928 -9.090 330 1HD ARG 51 1HD ARG 51 -6.664 1.976 -8.586 331 2HD ARG 51 2HD ARG 51 -8.184 2.867 -8.541 332 HE ARG 51 HE ARG 51 -6.826 1.946 -10.862 333 1HH1 ARG 51 1HH1 ARG 51 -8.759 4.595 -9.652 334 2HH1 ARG 51 2HH1 ARG 51 -9.319 5.092 -11.218 335 1HH2 ARG 51 1HH2 ARG 51 -7.575 2.565 -12.941 336 2HH2 ARG 51 2HH2 ARG 51 -8.679 3.904 -13.095 337 H LYS 52 H LYS 52 -2.278 5.072 -6.215 338 HA LYS 52 HA LYS 52 -0.193 3.978 -7.975 339 1HB LYS 52 1HB LYS 52 -0.056 6.367 -6.114 340 2HB LYS 52 2HB LYS 52 1.361 5.635 -6.858 341 1HG LYS 52 1HG LYS 52 0.917 6.521 -8.896 342 2HG LYS 52 2HG LYS 52 -0.832 6.429 -8.677 343 1HD LYS 52 1HD LYS 52 -0.779 8.344 -7.202 344 2HD LYS 52 2HD LYS 52 0.981 8.413 -7.309 345 1HE LYS 52 1HE LYS 52 -0.910 8.744 -9.641 346 2HE LYS 52 2HE LYS 52 -0.166 10.074 -8.751 347 1HZ LYS 52 1HZ LYS 52 1.852 8.277 -9.538 348 2HZ LYS 52 2HZ LYS 52 0.892 8.623 -10.896 349 3HZ LYS 52 3HZ LYS 52 1.614 9.888 -10.027 350 H TRP 53 H TRP 53 0.576 2.204 -7.180 351 HA TRP 53 HA TRP 53 0.718 1.860 -4.265 352 1HB TRP 53 1HB TRP 53 0.003 -0.445 -4.604 353 2HB TRP 53 2HB TRP 53 -1.177 0.657 -5.227 354 HD1 TRP 53 HD1 TRP 53 -0.982 1.031 -8.089 355 HE1 TRP 53 1HE TRP 53 -0.509 -0.812 -9.830 356 HE3 TRP 53 3HE TRP 53 1.028 -2.351 -4.988 357 HZ2 TRP 53 2HZ TRP 53 0.625 -3.432 -9.843 358 HZ3 TRP 53 3HZ TRP 53 1.810 -4.537 -5.885 359 HH2 TRP 53 HH2 TRP 53 1.607 -5.052 -8.269 360 H GLY 54 H GLY 54 1.935 -0.135 -3.740 361 1HA GLY 54 1HA GLY 54 4.101 -0.966 -5.414 362 2HA GLY 54 2HA GLY 54 4.619 0.117 -4.119 363 H PHE 55 H PHE 55 4.972 -2.877 -4.599 364 HA PHE 55 HA PHE 55 3.441 -4.265 -2.726 365 1HB PHE 55 1HB PHE 55 6.073 -4.759 -4.048 366 2HB PHE 55 2HB PHE 55 5.546 -5.824 -2.759 367 HD1 PHE 55 1HD PHE 55 2.503 -5.223 -3.722 368 HD2 PHE 55 2HD PHE 55 6.049 -6.747 -5.513 369 HE1 PHE 55 1HE PHE 55 1.144 -6.508 -5.321 370 HE2 PHE 55 2HE PHE 55 4.699 -8.031 -7.116 371 HZ PHE 55 HZ PHE 55 2.242 -7.910 -7.019 372 H CYS 56 H CYS 56 3.829 -4.936 -0.654 373 HA CYS 56 HA CYS 56 4.741 -3.022 1.137 374 1HB CYS 56 1HB CYS 56 3.131 -4.982 1.540 375 2HB CYS 56 2HB CYS 56 4.574 -5.957 1.788 376 HA PRO 57 HA PRO 57 9.125 -3.676 1.116 377 1HB PRO 57 1HB PRO 57 9.795 -2.103 3.140 378 2HB PRO 57 2HB PRO 57 9.137 -1.424 1.643 379 1HG PRO 57 1HG PRO 57 7.698 -2.146 4.154 380 2HG PRO 57 2HG PRO 57 7.683 -0.579 3.319 381 1HD PRO 57 1HD PRO 57 5.716 -2.359 2.959 382 2HD PRO 57 2HD PRO 57 6.343 -1.411 1.590 383 H ASP 58 H ASP 58 10.343 -3.332 3.741 384 HA ASP 58 HA ASP 58 10.615 -6.033 4.483 385 1HB ASP 58 1HB ASP 58 12.291 -4.189 4.899 386 2HB ASP 58 2HB ASP 58 11.255 -3.634 6.207 387 H GLN 59 H GLN 59 8.867 -7.138 5.213 388 HA GLN 59 HA GLN 59 6.896 -5.901 6.914 389 1HB GLN 59 1HB GLN 59 7.232 -8.739 5.941 390 2HB GLN 59 2HB GLN 59 5.901 -8.220 6.967 391 1HG GLN 59 1HG GLN 59 5.298 -6.570 5.199 392 2HG GLN 59 2HG GLN 59 6.530 -7.309 4.172 393 1HE2 GLN 59 1HE2 GLN 59 4.292 -9.633 2.980 394 2HE2 GLN 59 2HE2 GLN 59 5.609 -8.545 2.715 395 H GLY 60 H GLY 60 7.622 -5.423 8.903 396 1HA GLY 60 1HA GLY 60 8.194 -7.608 10.698 397 2HA GLY 60 2HA GLY 60 9.552 -6.517 10.444 Start of MODEL 10 1 H SER 1 1H SER 1 11.326 7.104 10.805 2 HA SER 1 HA SER 1 10.454 7.469 8.375 3 1HB SER 1 1HB SER 1 13.204 6.393 9.061 4 2HB SER 1 2HB SER 1 12.789 7.532 7.778 5 HG SER 1 HG SER 1 12.946 9.088 9.183 6 H TRP 2 H TRP 2 9.439 6.199 6.970 7 HA TRP 2 HA TRP 2 9.945 3.352 6.888 8 1HB TRP 2 1HB TRP 2 7.995 5.137 5.446 9 2HB TRP 2 2HB TRP 2 8.208 3.444 5.005 10 HD1 TRP 2 HD1 TRP 2 7.375 5.461 8.237 11 HE1 TRP 2 1HE TRP 2 5.719 4.059 9.630 12 HE3 TRP 2 3HE TRP 2 7.144 1.291 5.276 13 HZ2 TRP 2 2HZ TRP 2 4.478 1.523 9.483 14 HZ3 TRP 2 3HZ TRP 2 5.718 -0.583 5.989 15 HH2 TRP 2 HH2 TRP 2 4.415 -0.471 8.048 16 H MET 3 H MET 3 10.526 2.188 5.030 17 HA MET 3 HA MET 3 12.561 3.529 3.462 18 1HB MET 3 1HB MET 3 11.728 0.615 3.496 19 2HB MET 3 2HB MET 3 13.167 1.272 2.730 20 1HG MET 3 1HG MET 3 14.034 1.941 4.901 21 2HG MET 3 2HG MET 3 12.583 1.314 5.680 22 1HE MET 3 1HE MET 3 14.913 0.702 6.854 23 2HE MET 3 2HE MET 3 14.172 -0.833 7.308 24 3HE MET 3 3HE MET 3 15.765 -0.811 6.550 25 H SER 4 H SER 4 12.656 2.408 1.075 26 HA SER 4 HA SER 4 10.377 3.519 -0.279 27 1HB SER 4 1HB SER 4 12.725 3.701 -1.140 28 2HB SER 4 2HB SER 4 12.679 1.978 -1.496 29 HG SER 4 HG SER 4 11.861 2.593 -3.329 30 H THR 5 H THR 5 9.546 2.130 -2.250 31 HA THR 5 HA THR 5 8.525 -0.333 -1.062 32 HB THR 5 HB THR 5 6.865 -0.150 -2.985 33 HG1 THR 5 1HG THR 5 7.666 2.550 -3.076 34 1HG2 THR 5 1HG2 THR 5 6.448 2.316 -1.486 35 2HG2 THR 5 2HG2 THR 5 5.413 0.899 -1.663 36 3HG2 THR 5 3HG2 THR 5 6.733 0.886 -0.491 37 H VAL 6 H VAL 6 7.855 -1.967 -2.711 38 HA VAL 6 HA VAL 6 9.799 -2.430 -4.826 39 HB VAL 6 HB VAL 6 10.726 -3.962 -3.402 40 1HG1 VAL 6 1HG1 VAL 6 8.696 -3.192 -1.695 41 2HG1 VAL 6 2HG1 VAL 6 8.487 -4.937 -1.833 42 3HG1 VAL 6 3HG1 VAL 6 10.029 -4.274 -1.295 43 1HG2 VAL 6 1HG2 VAL 6 9.687 -5.388 -5.065 44 2HG2 VAL 6 2HG2 VAL 6 9.750 -6.189 -3.493 45 3HG2 VAL 6 3HG2 VAL 6 8.236 -5.492 -4.069 46 H GLY 7 H GLY 7 8.709 -4.029 -6.424 47 1HA GLY 7 1HA GLY 7 6.729 -4.784 -7.472 48 2HA GLY 7 2HA GLY 7 5.951 -4.595 -5.934 49 H GLY 8 H GLY 8 4.094 -3.704 -6.794 50 1HA GLY 8 1HA GLY 8 2.707 -2.048 -7.572 51 2HA GLY 8 2HA GLY 8 3.789 -1.009 -6.677 52 H ASN 9 H ASN 9 3.590 0.706 -8.031 53 HA ASN 9 HA ASN 9 5.104 0.476 -10.509 54 1HB ASN 9 1HB ASN 9 3.454 1.785 -11.782 55 2HB ASN 9 2HB ASN 9 2.816 0.242 -11.262 56 1HD2 ASN 9 1HD2 ASN 9 1.256 2.783 -8.687 57 2HD2 ASN 9 2HD2 ASN 9 2.860 2.147 -8.619 58 H SER 10 H SER 10 5.261 1.700 -7.713 59 HA SER 10 HA SER 10 5.327 4.526 -8.107 60 1HB SER 10 1HB SER 10 6.731 4.214 -5.870 61 2HB SER 10 2HB SER 10 4.978 4.035 -5.883 62 HG SER 10 HG SER 10 6.335 2.291 -4.869 63 H GLY 11 H GLY 11 7.961 2.288 -7.225 64 1HA GLY 11 1HA GLY 11 9.952 2.115 -8.611 65 2HA GLY 11 2HA GLY 11 9.723 3.805 -9.039 66 H GLY 12 H GLY 12 9.541 5.215 -6.913 67 1HA GLY 12 1HA GLY 12 11.567 4.343 -4.976 68 2HA GLY 12 2HA GLY 12 11.818 5.852 -5.835 69 H ALA 13 H ALA 13 8.609 4.836 -4.919 70 HA ALA 13 HA ALA 13 8.532 7.069 -3.008 71 1HB ALA 13 1HB ALA 13 6.804 6.323 -5.097 72 2HB ALA 13 2HB ALA 13 5.936 6.018 -3.591 73 3HB ALA 13 3HB ALA 13 6.589 7.622 -3.924 74 HA PRO 14 HA PRO 14 7.840 4.084 0.206 75 1HB PRO 14 1HB PRO 14 7.413 5.817 2.233 76 2HB PRO 14 2HB PRO 14 9.005 5.583 1.504 77 1HG PRO 14 1HG PRO 14 7.141 7.857 1.260 78 2HG PRO 14 2HG PRO 14 8.897 7.818 1.040 79 1HD PRO 14 1HD PRO 14 6.869 7.784 -0.984 80 2HD PRO 14 2HD PRO 14 8.628 7.686 -1.192 81 H CYS 15 H CYS 15 6.174 3.499 1.856 82 HA CYS 15 HA CYS 15 3.537 3.794 0.737 83 1HB CYS 15 1HB CYS 15 4.063 2.654 3.477 84 2HB CYS 15 2HB CYS 15 2.814 2.219 2.321 85 H VAL 16 H VAL 16 1.817 4.997 1.579 86 HA VAL 16 HA VAL 16 2.517 6.865 3.756 87 HB VAL 16 HB VAL 16 0.510 7.259 1.520 88 1HG1 VAL 16 1HG1 VAL 16 1.133 8.848 3.975 89 2HG1 VAL 16 2HG1 VAL 16 0.593 9.664 2.509 90 3HG1 VAL 16 3HG1 VAL 16 -0.432 8.446 3.270 91 1HG2 VAL 16 1HG2 VAL 16 3.301 7.702 1.611 92 2HG2 VAL 16 2HG2 VAL 16 2.164 8.161 0.342 93 3HG2 VAL 16 3HG2 VAL 16 2.514 9.281 1.659 94 H PHE 17 H PHE 17 1.588 6.336 5.620 95 HA PHE 17 HA PHE 17 -1.046 5.048 5.545 96 1HB PHE 17 1HB PHE 17 1.179 4.790 7.574 97 2HB PHE 17 2HB PHE 17 -0.417 4.088 7.746 98 HD1 PHE 17 1HD PHE 17 -1.132 2.692 5.514 99 HD2 PHE 17 2HD PHE 17 2.808 3.366 6.953 100 HE1 PHE 17 1HE PHE 17 -0.367 0.683 4.343 101 HE2 PHE 17 2HE PHE 17 3.594 1.355 5.780 102 HZ PHE 17 HZ PHE 17 2.016 -0.013 4.457 103 HA PRO 18 HA PRO 18 -2.536 4.515 6.834 104 1HB PRO 18 1HB PRO 18 -5.105 5.632 7.325 105 2HB PRO 18 2HB PRO 18 -4.186 4.564 8.385 106 1HG PRO 18 1HG PRO 18 -4.809 7.231 8.905 107 2HG PRO 18 2HG PRO 18 -3.560 6.281 9.725 108 1HD PRO 18 1HD PRO 18 -3.287 8.274 7.517 109 2HD PRO 18 2HD PRO 18 -2.196 7.935 8.877 110 H PHE 19 H PHE 19 -3.161 3.931 4.812 111 HA PHE 19 HA PHE 19 -4.107 6.108 3.069 112 1HB PHE 19 1HB PHE 19 -3.280 4.922 1.189 113 2HB PHE 19 2HB PHE 19 -2.013 4.860 2.405 114 HD1 PHE 19 1HD PHE 19 -4.698 2.890 0.780 115 HD2 PHE 19 2HD PHE 19 -1.175 2.804 3.166 116 HE1 PHE 19 1HE PHE 19 -4.553 0.450 0.473 117 HE2 PHE 19 2HE PHE 19 -1.028 0.365 2.868 118 HZ PHE 19 HZ PHE 19 -2.717 -0.811 1.507 119 H THR 20 H THR 20 -5.757 5.462 1.423 120 HA THR 20 HA THR 20 -7.592 3.509 2.648 121 HB THR 20 HB THR 20 -8.306 6.020 1.090 122 HG1 THR 20 1HG THR 20 -7.826 6.846 2.982 123 1HG2 THR 20 1HG2 THR 20 -10.588 5.663 1.854 124 2HG2 THR 20 2HG2 THR 20 -10.029 4.328 0.846 125 3HG2 THR 20 3HG2 THR 20 -10.104 4.135 2.597 126 H PHE 21 H PHE 21 -8.038 1.820 1.469 127 HA PHE 21 HA PHE 21 -7.835 2.012 -1.472 128 1HB PHE 21 1HB PHE 21 -6.114 0.473 -0.366 129 2HB PHE 21 2HB PHE 21 -7.466 -0.497 0.168 130 HD1 PHE 21 1HD PHE 21 -6.031 0.909 -2.953 131 HD2 PHE 21 2HD PHE 21 -8.235 -2.243 -1.153 132 HE1 PHE 21 1HE PHE 21 -5.931 -0.340 -5.044 133 HE2 PHE 21 2HE PHE 21 -8.128 -3.511 -3.247 134 HZ PHE 21 HZ PHE 21 -6.984 -2.561 -5.214 135 H LEU 22 H LEU 22 -9.573 1.379 -2.544 136 HA LEU 22 HA LEU 22 -11.777 1.079 -2.887 137 1HB LEU 22 1HB LEU 22 -10.355 -1.287 -1.896 138 2HB LEU 22 2HB LEU 22 -12.036 -1.460 -2.355 139 HG LEU 22 HG LEU 22 -10.378 -2.008 -4.147 140 1HD1 LEU 22 1HD1 LEU 22 -12.743 -1.224 -4.419 141 2HD1 LEU 22 2HD1 LEU 22 -12.041 0.335 -4.835 142 3HD1 LEU 22 3HD1 LEU 22 -11.670 -1.086 -5.816 143 1HD2 LEU 22 1HD2 LEU 22 -8.807 -0.170 -3.656 144 2HD2 LEU 22 2HD2 LEU 22 -9.295 -0.278 -5.344 145 3HD2 LEU 22 3HD2 LEU 22 -10.008 0.952 -4.300 146 H GLY 23 H GLY 23 -11.718 2.512 -0.649 147 1HA GLY 23 1HA GLY 23 -13.377 3.198 0.817 148 2HA GLY 23 2HA GLY 23 -14.135 1.630 0.656 149 H ASN 24 H ASN 24 -11.009 0.857 1.547 150 HA ASN 24 HA ASN 24 -11.837 0.897 4.382 151 1HB ASN 24 1HB ASN 24 -9.796 -0.916 3.085 152 2HB ASN 24 2HB ASN 24 -10.504 -1.073 4.684 153 1HD2 ASN 24 1HD2 ASN 24 -12.157 -2.885 1.600 154 2HD2 ASN 24 2HD2 ASN 24 -10.564 -2.215 1.639 155 H LYS 25 H LYS 25 -10.213 1.211 5.996 156 HA LYS 25 HA LYS 25 -8.178 3.098 5.184 157 1HB LYS 25 1HB LYS 25 -9.252 2.253 7.877 158 2HB LYS 25 2HB LYS 25 -8.104 3.535 7.596 159 1HG LYS 25 1HG LYS 25 -10.938 3.461 6.610 160 2HG LYS 25 2HG LYS 25 -10.308 4.469 7.919 161 1HD LYS 25 1HD LYS 25 -8.840 5.608 6.354 162 2HD LYS 25 2HD LYS 25 -9.419 4.580 5.041 163 1HE LYS 25 1HE LYS 25 -11.693 5.476 5.395 164 2HE LYS 25 2HE LYS 25 -11.058 6.548 6.641 165 1HZ LYS 25 1HZ LYS 25 -9.725 6.668 4.057 166 2HZ LYS 25 2HZ LYS 25 -11.314 7.258 4.092 167 3HZ LYS 25 3HZ LYS 25 -10.137 7.921 5.130 168 H TYR 26 H TYR 26 -6.036 2.593 5.222 169 HA TYR 26 HA TYR 26 -5.292 0.044 6.459 170 1HB TYR 26 1HB TYR 26 -4.254 1.291 3.920 171 2HB TYR 26 2HB TYR 26 -3.674 -0.206 4.638 172 HD1 TYR 26 1HD TYR 26 -5.026 -2.212 4.596 173 HD2 TYR 26 2HD TYR 26 -6.411 1.386 2.825 174 HE1 TYR 26 1HE TYR 26 -6.765 -3.468 3.422 175 HE2 TYR 26 2HE TYR 26 -8.152 0.139 1.646 176 HH TYR 26 HH TYR 26 -8.577 -3.361 2.130 177 H GLU 27 H GLU 27 -4.232 0.507 8.188 178 HA GLU 27 HA GLU 27 -2.388 2.757 8.290 179 1HB GLU 27 1HB GLU 27 -3.410 0.863 10.391 180 2HB GLU 27 2HB GLU 27 -2.279 2.154 10.701 181 1HG GLU 27 1HG GLU 27 -3.952 3.784 9.910 182 2HG GLU 27 2HG GLU 27 -5.091 2.456 9.702 183 H SER 28 H SER 28 -2.462 -0.520 7.702 184 HA SER 28 HA SER 28 0.444 -0.762 7.967 185 1HB SER 28 1HB SER 28 -0.120 -3.256 8.318 186 2HB SER 28 2HB SER 28 -0.397 -2.179 9.680 187 HG SER 28 HG SER 28 -2.244 -3.442 7.979 188 H CYS 29 H CYS 29 0.937 -2.990 6.532 189 HA CYS 29 HA CYS 29 0.265 -2.222 3.875 190 1HB CYS 29 1HB CYS 29 1.488 -4.779 4.915 191 2HB CYS 29 2HB CYS 29 1.324 -4.376 3.219 192 H THR 30 H THR 30 -0.705 -3.885 2.347 193 HA THR 30 HA THR 30 -2.876 -5.398 3.597 194 HB THR 30 HB THR 30 -3.795 -3.131 3.107 195 HG1 THR 30 1HG THR 30 -5.300 -4.697 2.934 196 1HG2 THR 30 1HG2 THR 30 -4.189 -2.953 0.459 197 2HG2 THR 30 2HG2 THR 30 -2.877 -2.137 1.309 198 3HG2 THR 30 3HG2 THR 30 -2.575 -3.662 0.477 199 H SER 31 H SER 31 -4.099 -6.622 1.907 200 HA SER 31 HA SER 31 -2.373 -7.358 -0.346 201 1HB SER 31 1HB SER 31 -3.261 -9.703 -0.074 202 2HB SER 31 2HB SER 31 -2.211 -9.166 1.242 203 HG SER 31 HG SER 31 -5.057 -9.252 1.256 204 H ALA 32 H ALA 32 -4.732 -5.604 0.348 205 HA ALA 32 HA ALA 32 -7.110 -6.454 -0.779 206 1HB ALA 32 1HB ALA 32 -5.930 -3.958 0.080 207 2HB ALA 32 2HB ALA 32 -6.939 -3.726 -1.347 208 3HB ALA 32 3HB ALA 32 -7.621 -4.459 0.106 209 H GLY 33 H GLY 33 -7.972 -6.561 -2.737 210 1HA GLY 33 1HA GLY 33 -8.166 -6.389 -5.032 211 2HA GLY 33 2HA GLY 33 -6.786 -5.298 -5.028 212 H ARG 34 H ARG 34 -5.352 -7.510 -3.414 213 HA ARG 34 HA ARG 34 -4.406 -8.924 -5.791 214 1HB ARG 34 1HB ARG 34 -3.206 -8.808 -3.016 215 2HB ARG 34 2HB ARG 34 -2.478 -9.554 -4.422 216 1HG ARG 34 1HG ARG 34 -2.758 -7.115 -5.416 217 2HG ARG 34 2HG ARG 34 -2.708 -6.694 -3.704 218 1HD ARG 34 1HD ARG 34 -0.483 -6.658 -4.782 219 2HD ARG 34 2HD ARG 34 -0.582 -7.810 -3.447 220 HE ARG 34 HE ARG 34 -0.166 -9.485 -4.921 221 1HH1 ARG 34 1HH1 ARG 34 -1.238 -6.678 -6.723 222 2HH1 ARG 34 2HH1 ARG 34 -1.044 -7.444 -8.270 223 1HH2 ARG 34 1HH2 ARG 34 0.086 -10.495 -6.915 224 2HH2 ARG 34 2HH2 ARG 34 -0.291 -9.641 -8.382 225 H SER 35 H SER 35 -4.389 -9.967 -2.442 226 HA SER 35 HA SER 35 -5.049 -11.848 -1.387 227 1HB SER 35 1HB SER 35 -7.151 -11.916 -3.568 228 2HB SER 35 2HB SER 35 -7.166 -12.929 -2.123 229 HG SER 35 HG SER 35 -8.159 -10.502 -2.379 230 H ASP 36 H ASP 36 -3.251 -11.856 -3.886 231 HA ASP 36 HA ASP 36 -3.484 -14.624 -4.719 232 1HB ASP 36 1HB ASP 36 -2.132 -14.060 -6.518 233 2HB ASP 36 2HB ASP 36 -2.973 -12.559 -6.209 234 H GLY 37 H GLY 37 -1.489 -12.488 -2.906 235 1HA GLY 37 1HA GLY 37 -0.531 -14.250 -1.078 236 2HA GLY 37 2HA GLY 37 0.602 -14.397 -2.409 237 H LYS 38 H LYS 38 1.371 -12.136 -3.230 238 HA LYS 38 HA LYS 38 2.864 -10.970 -1.184 239 1HB LYS 38 1HB LYS 38 2.198 -9.679 -3.820 240 2HB LYS 38 2HB LYS 38 3.638 -9.442 -2.839 241 1HG LYS 38 1HG LYS 38 4.422 -10.793 -4.504 242 2HG LYS 38 2HG LYS 38 4.040 -11.971 -3.269 243 1HD LYS 38 1HD LYS 38 2.017 -12.579 -4.384 244 2HD LYS 38 2HD LYS 38 2.172 -11.229 -5.509 245 1HE LYS 38 1HE LYS 38 4.133 -12.219 -6.499 246 2HE LYS 38 2HE LYS 38 4.137 -13.510 -5.299 247 1HZ LYS 38 1HZ LYS 38 1.631 -13.398 -6.647 248 2HZ LYS 38 2HZ LYS 38 2.912 -13.543 -7.763 249 3HZ LYS 38 3HZ LYS 38 2.733 -14.683 -6.521 250 H MET 39 H MET 39 2.585 -9.244 0.103 251 HA MET 39 HA MET 39 0.041 -7.820 -0.071 252 1HB MET 39 1HB MET 39 2.114 -7.787 2.142 253 2HB MET 39 2HB MET 39 0.552 -7.001 2.175 254 1HG MET 39 1HG MET 39 0.223 -8.891 3.449 255 2HG MET 39 2HG MET 39 -0.445 -9.323 1.878 256 1HE MET 39 1HE MET 39 0.085 -11.204 4.120 257 2HE MET 39 2HE MET 39 -0.183 -12.154 2.659 258 3HE MET 39 3HE MET 39 1.210 -12.490 3.685 259 H TRP 40 H TRP 40 0.034 -5.503 -0.008 260 HA TRP 40 HA TRP 40 2.579 -4.250 -0.769 261 1HB TRP 40 1HB TRP 40 1.348 -2.917 -2.480 262 2HB TRP 40 2HB TRP 40 1.398 -4.638 -2.853 263 HD1 TRP 40 HD1 TRP 40 -1.017 -6.001 -2.116 264 HE1 TRP 40 1HE TRP 40 -3.433 -5.143 -2.323 265 HE3 TRP 40 3HE TRP 40 -0.071 -1.008 -2.507 266 HZ2 TRP 40 2HZ TRP 40 -4.756 -2.680 -2.575 267 HZ3 TRP 40 3HZ TRP 40 -1.972 0.538 -2.693 268 HH2 TRP 40 HH2 TRP 40 -4.260 -0.285 -2.733 269 H CYS 41 H CYS 41 1.657 -1.722 -1.222 270 HA CYS 41 HA CYS 41 0.060 -0.739 0.973 271 1HB CYS 41 1HB CYS 41 1.847 0.641 1.944 272 2HB CYS 41 2HB CYS 41 2.275 -1.065 2.056 273 H ALA 42 H ALA 42 -0.527 1.491 0.614 274 HA ALA 42 HA ALA 42 -0.158 2.299 -2.151 275 1HB ALA 42 1HB ALA 42 -2.177 2.733 -0.227 276 2HB ALA 42 2HB ALA 42 -1.495 4.310 -0.627 277 3HB ALA 42 3HB ALA 42 -2.135 3.276 -1.906 278 H THR 43 H THR 43 0.810 4.242 -2.787 279 HA THR 43 HA THR 43 2.777 5.197 -0.841 280 HB THR 43 HB THR 43 4.078 5.901 -2.793 281 HG1 THR 43 1HG THR 43 2.946 6.308 -4.517 282 1HG2 THR 43 1HG2 THR 43 3.043 3.128 -3.292 283 2HG2 THR 43 2HG2 THR 43 4.643 3.773 -3.658 284 3HG2 THR 43 3HG2 THR 43 4.154 3.524 -1.982 285 H THR 44 H THR 44 -0.151 5.966 -1.520 286 HA THR 44 HA THR 44 0.292 8.850 -1.272 287 HB THR 44 HB THR 44 -1.778 9.195 -2.661 288 HG1 THR 44 1HG THR 44 -2.875 7.511 -3.229 289 1HG2 THR 44 1HG2 THR 44 -0.062 7.706 -4.520 290 2HG2 THR 44 2HG2 THR 44 -0.638 9.372 -4.586 291 3HG2 THR 44 3HG2 THR 44 0.743 8.954 -3.570 292 H ALA 45 H ALA 45 -1.332 9.914 0.002 293 HA ALA 45 HA ALA 45 -2.225 8.502 2.239 294 1HB ALA 45 1HB ALA 45 -1.945 11.024 1.949 295 2HB ALA 45 2HB ALA 45 -3.568 11.005 1.261 296 3HB ALA 45 3HB ALA 45 -3.309 10.471 2.921 297 H ASN 46 H ASN 46 -3.898 9.230 -0.775 298 HA ASN 46 HA ASN 46 -6.000 7.370 0.074 299 1HB ASN 46 1HB ASN 46 -6.816 9.763 -0.010 300 2HB ASN 46 2HB ASN 46 -6.478 9.742 -1.741 301 1HD2 ASN 46 1HD2 ASN 46 -9.901 8.322 -0.328 302 2HD2 ASN 46 2HD2 ASN 46 -8.767 9.240 0.594 303 H TYR 47 H TYR 47 -5.744 5.594 -1.064 304 HA TYR 47 HA TYR 47 -4.280 5.538 -3.508 305 1HB TYR 47 1HB TYR 47 -4.276 3.686 -1.836 306 2HB TYR 47 2HB TYR 47 -5.936 3.325 -2.293 307 HD1 TYR 47 1HD TYR 47 -6.400 2.598 -4.687 308 HD2 TYR 47 2HD TYR 47 -2.483 2.880 -3.076 309 HE1 TYR 47 1HE TYR 47 -5.557 1.145 -6.485 310 HE2 TYR 47 2HE TYR 47 -1.637 1.435 -4.853 311 HH TYR 47 HH TYR 47 -2.826 -0.453 -6.411 312 H ASP 48 H ASP 48 -7.710 5.387 -2.691 313 HA ASP 48 HA ASP 48 -8.731 4.551 -5.122 314 1HB ASP 48 1HB ASP 48 -9.818 6.456 -3.067 315 2HB ASP 48 2HB ASP 48 -10.742 5.982 -4.484 316 H ASP 49 H ASP 49 -7.580 7.681 -4.141 317 HA ASP 49 HA ASP 49 -8.493 9.095 -6.445 318 1HB ASP 49 1HB ASP 49 -6.793 9.726 -4.088 319 2HB ASP 49 2HB ASP 49 -6.690 10.779 -5.494 320 H ASP 50 H ASP 50 -5.123 8.747 -5.340 321 HA ASP 50 HA ASP 50 -4.168 9.206 -8.007 322 1HB ASP 50 1HB ASP 50 -2.765 8.722 -5.392 323 2HB ASP 50 2HB ASP 50 -1.895 8.939 -6.909 324 H ARG 51 H ARG 51 -4.815 6.328 -6.243 325 HA ARG 51 HA ARG 51 -4.280 4.167 -6.505 326 1HB ARG 51 1HB ARG 51 -4.619 5.016 -9.358 327 2HB ARG 51 2HB ARG 51 -4.658 3.347 -8.795 328 1HG ARG 51 1HG ARG 51 -6.362 4.600 -7.079 329 2HG ARG 51 2HG ARG 51 -6.698 5.406 -8.618 330 1HD ARG 51 1HD ARG 51 -6.519 2.434 -8.378 331 2HD ARG 51 2HD ARG 51 -8.007 3.302 -8.000 332 HE ARG 51 HE ARG 51 -7.259 4.200 -10.498 333 1HH1 ARG 51 1HH1 ARG 51 -7.932 1.063 -9.110 334 2HH1 ARG 51 2HH1 ARG 51 -8.690 0.450 -10.550 335 1HH2 ARG 51 1HH2 ARG 51 -8.228 3.390 -12.390 336 2HH2 ARG 51 2HH2 ARG 51 -8.862 1.773 -12.410 337 H LYS 52 H LYS 52 -2.006 5.109 -5.800 338 HA LYS 52 HA LYS 52 -0.086 3.892 -7.659 339 1HB LYS 52 1HB LYS 52 0.341 6.232 -5.792 340 2HB LYS 52 2HB LYS 52 1.645 5.396 -6.630 341 1HG LYS 52 1HG LYS 52 0.823 6.058 -8.756 342 2HG LYS 52 2HG LYS 52 -0.676 6.671 -8.055 343 1HD LYS 52 1HD LYS 52 0.721 8.343 -6.793 344 2HD LYS 52 2HD LYS 52 2.103 7.797 -7.749 345 1HE LYS 52 1HE LYS 52 -0.430 9.073 -8.770 346 2HE LYS 52 2HE LYS 52 1.194 9.761 -8.788 347 1HZ LYS 52 1HZ LYS 52 1.791 7.758 -10.222 348 2HZ LYS 52 2HZ LYS 52 0.116 7.538 -10.426 349 3HZ LYS 52 3HZ LYS 52 0.852 8.977 -10.944 350 H TRP 53 H TRP 53 0.730 2.098 -6.917 351 HA TRP 53 HA TRP 53 0.799 1.663 -4.015 352 1HB TRP 53 1HB TRP 53 0.043 -0.591 -4.388 353 2HB TRP 53 2HB TRP 53 -1.067 0.514 -5.104 354 HD1 TRP 53 HD1 TRP 53 -0.529 0.890 -7.950 355 HE1 TRP 53 1HE TRP 53 -0.041 -1.008 -9.629 356 HE3 TRP 53 3HE TRP 53 0.861 -2.603 -4.638 357 HZ2 TRP 53 2HZ TRP 53 0.848 -3.723 -9.506 358 HZ3 TRP 53 3HZ TRP 53 1.547 -4.861 -5.441 359 HH2 TRP 53 HH2 TRP 53 1.535 -5.393 -7.832 360 H GLY 54 H GLY 54 2.019 -0.222 -3.394 361 1HA GLY 54 1HA GLY 54 4.238 -1.132 -4.976 362 2HA GLY 54 2HA GLY 54 4.712 -0.018 -3.694 363 H PHE 55 H PHE 55 5.040 -3.035 -4.120 364 HA PHE 55 HA PHE 55 3.514 -4.421 -2.247 365 1HB PHE 55 1HB PHE 55 6.249 -4.888 -3.403 366 2HB PHE 55 2HB PHE 55 5.557 -5.980 -2.222 367 HD1 PHE 55 1HD PHE 55 2.719 -5.916 -3.126 368 HD2 PHE 55 2HD PHE 55 6.339 -6.219 -5.336 369 HE1 PHE 55 1HE PHE 55 1.524 -7.161 -4.885 370 HE2 PHE 55 2HE PHE 55 5.154 -7.459 -7.101 371 HZ PHE 55 HZ PHE 55 2.753 -7.928 -6.887 372 H CYS 56 H CYS 56 4.076 -5.210 -0.169 373 HA CYS 56 HA CYS 56 5.015 -3.193 1.582 374 1HB CYS 56 1HB CYS 56 3.316 -5.072 2.049 375 2HB CYS 56 2HB CYS 56 4.715 -6.112 2.290 376 HA PRO 57 HA PRO 57 9.380 -3.968 1.552 377 1HB PRO 57 1HB PRO 57 10.073 -3.004 3.954 378 2HB PRO 57 2HB PRO 57 9.553 -1.950 2.629 379 1HG PRO 57 1HG PRO 57 7.929 -3.110 4.842 380 2HG PRO 57 2HG PRO 57 8.049 -1.402 4.376 381 1HD PRO 57 1HD PRO 57 5.996 -2.865 3.556 382 2HD PRO 57 2HD PRO 57 6.799 -1.761 2.414 383 H ASP 58 H ASP 58 10.697 -4.345 4.110 384 HA ASP 58 HA ASP 58 11.158 -7.038 4.155 385 1HB ASP 58 1HB ASP 58 12.539 -5.365 5.333 386 2HB ASP 58 2HB ASP 58 11.274 -5.196 6.546 387 H GLN 59 H GLN 59 9.663 -8.571 4.276 388 HA GLN 59 HA GLN 59 7.336 -8.321 5.971 389 1HB GLN 59 1HB GLN 59 8.253 -10.594 4.206 390 2HB GLN 59 2HB GLN 59 6.694 -10.495 5.004 391 1HG GLN 59 1HG GLN 59 7.650 -8.447 3.036 392 2HG GLN 59 2HG GLN 59 6.732 -9.879 2.568 393 1HE2 GLN 59 1HE2 GLN 59 3.724 -8.317 3.157 394 2HE2 GLN 59 2HE2 GLN 59 4.681 -9.441 2.254 395 H GLY 60 H GLY 60 6.948 -9.304 7.857 396 1HA GLY 60 1HA GLY 60 7.715 -11.587 8.967 397 2HA GLY 60 2HA GLY 60 9.190 -10.645 9.151 Start of MODEL 11 1 H SER 1 1H SER 1 16.540 6.395 8.656 2 HA SER 1 HA SER 1 14.229 6.869 8.142 3 1HB SER 1 1HB SER 1 14.787 9.141 7.169 4 2HB SER 1 2HB SER 1 15.715 8.682 8.596 5 HG SER 1 HG SER 1 16.533 8.911 5.920 6 H TRP 2 H TRP 2 12.612 6.827 6.720 7 HA TRP 2 HA TRP 2 11.414 6.562 4.819 8 1HB TRP 2 1HB TRP 2 12.362 8.540 3.942 9 2HB TRP 2 2HB TRP 2 13.919 7.770 3.666 10 HD1 TRP 2 HD1 TRP 2 10.298 7.459 2.261 11 HE1 TRP 2 1HE TRP 2 10.491 6.906 -0.251 12 HE3 TRP 2 3HE TRP 2 15.382 7.113 1.886 13 HZ2 TRP 2 2HZ TRP 2 12.524 6.393 -2.132 14 HZ3 TRP 2 3HZ TRP 2 16.377 6.577 -0.301 15 HH2 TRP 2 HH2 TRP 2 14.972 6.224 -2.268 16 H MET 3 H MET 3 10.960 4.476 4.508 17 HA MET 3 HA MET 3 12.996 2.785 3.261 18 1HB MET 3 1HB MET 3 11.622 0.883 3.969 19 2HB MET 3 2HB MET 3 12.096 1.865 5.337 20 1HG MET 3 1HG MET 3 9.909 2.812 5.494 21 2HG MET 3 2HG MET 3 9.412 2.028 3.991 22 1HE MET 3 1HE MET 3 10.748 1.587 7.504 23 2HE MET 3 2HE MET 3 10.134 0.024 8.051 24 3HE MET 3 3HE MET 3 11.520 0.099 6.963 25 H SER 4 H SER 4 12.642 1.959 1.243 26 HA SER 4 HA SER 4 10.479 3.176 -0.251 27 1HB SER 4 1HB SER 4 12.660 1.306 -1.224 28 2HB SER 4 2HB SER 4 11.605 2.309 -2.223 29 HG SER 4 HG SER 4 12.532 4.140 -1.029 30 H THR 5 H THR 5 9.682 1.583 -2.133 31 HA THR 5 HA THR 5 8.392 -0.655 -0.741 32 HB THR 5 HB THR 5 6.787 -0.350 -2.787 33 HG1 THR 5 1HG THR 5 7.323 2.334 -2.664 34 1HG2 THR 5 1HG2 THR 5 5.724 1.700 -1.563 35 2HG2 THR 5 2HG2 THR 5 5.703 0.092 -0.840 36 3HG2 THR 5 3HG2 THR 5 6.896 1.282 -0.311 37 H VAL 6 H VAL 6 7.423 -2.157 -2.501 38 HA VAL 6 HA VAL 6 9.439 -2.974 -4.492 39 HB VAL 6 HB VAL 6 7.832 -5.185 -3.542 40 1HG1 VAL 6 1HG1 VAL 6 10.792 -4.699 -3.660 41 2HG1 VAL 6 2HG1 VAL 6 10.058 -6.246 -3.241 42 3HG1 VAL 6 3HG1 VAL 6 9.792 -5.549 -4.841 43 1HG2 VAL 6 1HG2 VAL 6 7.883 -3.935 -1.412 44 2HG2 VAL 6 2HG2 VAL 6 8.709 -5.493 -1.332 45 3HG2 VAL 6 3HG2 VAL 6 9.644 -4.004 -1.456 46 H GLY 7 H GLY 7 7.971 -4.960 -5.633 47 1HA GLY 7 1HA GLY 7 6.407 -5.099 -7.364 48 2HA GLY 7 2HA GLY 7 5.332 -4.925 -6.008 49 H GLY 8 H GLY 8 3.738 -3.685 -6.630 50 1HA GLY 8 1HA GLY 8 2.548 -1.962 -7.591 51 2HA GLY 8 2HA GLY 8 3.703 -1.014 -6.691 52 H ASN 9 H ASN 9 3.776 0.670 -8.034 53 HA ASN 9 HA ASN 9 5.317 0.256 -10.471 54 1HB ASN 9 1HB ASN 9 3.873 2.190 -11.512 55 2HB ASN 9 2HB ASN 9 3.339 0.534 -11.619 56 1HD2 ASN 9 1HD2 ASN 9 1.403 2.416 -8.658 57 2HD2 ASN 9 2HD2 ASN 9 3.113 2.218 -8.662 58 H SER 10 H SER 10 4.625 1.867 -7.623 59 HA SER 10 HA SER 10 6.198 4.232 -8.290 60 1HB SER 10 1HB SER 10 5.151 3.681 -5.544 61 2HB SER 10 2HB SER 10 5.292 5.210 -6.393 62 HG SER 10 HG SER 10 3.091 4.272 -6.110 63 H GLY 11 H GLY 11 7.620 1.873 -8.431 64 1HA GLY 11 1HA GLY 11 8.821 0.887 -6.146 65 2HA GLY 11 2HA GLY 11 9.602 0.958 -7.718 66 H GLY 12 H GLY 12 9.423 2.302 -4.564 67 1HA GLY 12 1HA GLY 12 11.685 3.313 -3.985 68 2HA GLY 12 2HA GLY 12 11.362 4.383 -5.344 69 H ALA 13 H ALA 13 8.454 4.520 -4.689 70 HA ALA 13 HA ALA 13 8.667 6.703 -2.812 71 1HB ALA 13 1HB ALA 13 6.805 5.839 -4.813 72 2HB ALA 13 2HB ALA 13 5.953 6.134 -3.295 73 3HB ALA 13 3HB ALA 13 6.938 7.407 -4.018 74 HA PRO 14 HA PRO 14 7.599 4.293 0.717 75 1HB PRO 14 1HB PRO 14 6.976 6.275 2.440 76 2HB PRO 14 2HB PRO 14 8.631 5.973 1.907 77 1HG PRO 14 1HG PRO 14 6.733 8.104 1.079 78 2HG PRO 14 2HG PRO 14 8.498 8.162 1.229 79 1HD PRO 14 1HD PRO 14 7.047 7.855 -1.145 80 2HD PRO 14 2HD PRO 14 8.775 7.533 -0.940 81 H CYS 15 H CYS 15 5.782 3.602 1.951 82 HA CYS 15 HA CYS 15 3.263 3.962 0.634 83 1HB CYS 15 1HB CYS 15 3.414 2.757 3.367 84 2HB CYS 15 2HB CYS 15 2.479 2.236 1.973 85 H VAL 16 H VAL 16 1.636 5.354 1.169 86 HA VAL 16 HA VAL 16 2.114 7.253 3.313 87 HB VAL 16 HB VAL 16 -0.090 7.130 1.240 88 1HG1 VAL 16 1HG1 VAL 16 0.494 9.184 3.358 89 2HG1 VAL 16 2HG1 VAL 16 -0.493 9.513 1.936 90 3HG1 VAL 16 3HG1 VAL 16 -1.004 8.289 3.101 91 1HG2 VAL 16 1HG2 VAL 16 2.574 7.927 1.030 92 2HG2 VAL 16 2HG2 VAL 16 1.272 8.236 -0.123 93 3HG2 VAL 16 3HG2 VAL 16 1.638 9.419 1.128 94 H PHE 17 H PHE 17 1.548 6.618 5.311 95 HA PHE 17 HA PHE 17 -0.969 5.141 5.608 96 1HB PHE 17 1HB PHE 17 1.567 5.034 7.222 97 2HB PHE 17 2HB PHE 17 0.048 4.376 7.795 98 HD1 PHE 17 1HD PHE 17 -1.127 2.922 5.717 99 HD2 PHE 17 2HD PHE 17 3.002 3.457 6.544 100 HE1 PHE 17 1HE PHE 17 -0.622 0.810 4.572 101 HE2 PHE 17 2HE PHE 17 3.527 1.356 5.401 102 HZ PHE 17 HZ PHE 17 1.711 0.008 4.385 103 HA PRO 18 HA PRO 18 -2.323 4.593 6.874 104 1HB PRO 18 1HB PRO 18 -4.877 5.548 7.622 105 2HB PRO 18 2HB PRO 18 -3.810 4.523 8.582 106 1HG PRO 18 1HG PRO 18 -4.544 7.156 9.192 107 2HG PRO 18 2HG PRO 18 -3.200 6.259 9.919 108 1HD PRO 18 1HD PRO 18 -3.168 8.292 7.732 109 2HD PRO 18 2HD PRO 18 -1.965 7.978 9.003 110 H PHE 19 H PHE 19 -3.153 4.066 4.865 111 HA PHE 19 HA PHE 19 -4.244 6.323 3.335 112 1HB PHE 19 1HB PHE 19 -3.925 5.014 1.307 113 2HB PHE 19 2HB PHE 19 -2.420 5.129 2.200 114 HD1 PHE 19 1HD PHE 19 -1.614 3.126 3.479 115 HD2 PHE 19 2HD PHE 19 -4.877 2.952 0.758 116 HE1 PHE 19 1HE PHE 19 -1.329 0.686 3.290 117 HE2 PHE 19 2HE PHE 19 -4.606 0.514 0.572 118 HZ PHE 19 HZ PHE 19 -2.834 -0.622 1.843 119 H THR 20 H THR 20 -5.806 5.010 1.494 120 HA THR 20 HA THR 20 -7.721 3.499 3.078 121 HB THR 20 HB THR 20 -8.364 6.109 1.676 122 HG1 THR 20 1HG THR 20 -7.700 5.511 4.172 123 1HG2 THR 20 1HG2 THR 20 -10.660 5.671 2.793 124 2HG2 THR 20 2HG2 THR 20 -10.293 4.940 1.230 125 3HG2 THR 20 3HG2 THR 20 -10.179 3.975 2.702 126 H PHE 21 H PHE 21 -8.385 1.854 2.019 127 HA PHE 21 HA PHE 21 -8.522 1.954 -0.922 128 1HB PHE 21 1HB PHE 21 -6.633 0.499 0.187 129 2HB PHE 21 2HB PHE 21 -7.950 -0.581 0.586 130 HD1 PHE 21 1HD PHE 21 -8.595 1.100 -2.491 131 HD2 PHE 21 2HD PHE 21 -6.494 -2.161 -0.758 132 HE1 PHE 21 1HE PHE 21 -8.459 0.007 -4.677 133 HE2 PHE 21 2HE PHE 21 -6.348 -3.249 -2.938 134 HZ PHE 21 HZ PHE 21 -7.323 -2.159 -4.923 135 H LEU 22 H LEU 22 -10.349 0.933 -1.767 136 HA LEU 22 HA LEU 22 -12.550 0.581 -1.874 137 1HB LEU 22 1HB LEU 22 -11.468 -1.522 -0.106 138 2HB LEU 22 2HB LEU 22 -12.996 -1.681 -0.953 139 HG LEU 22 HG LEU 22 -11.773 -2.626 -2.578 140 1HD1 LEU 22 1HD1 LEU 22 -11.745 -0.004 -3.165 141 2HD1 LEU 22 2HD1 LEU 22 -10.067 -0.506 -3.367 142 3HD1 LEU 22 3HD1 LEU 22 -11.349 -1.331 -4.257 143 1HD2 LEU 22 1HD2 LEU 22 -9.828 -2.260 -0.654 144 2HD2 LEU 22 2HD2 LEU 22 -9.912 -3.472 -1.935 145 3HD2 LEU 22 3HD2 LEU 22 -9.125 -1.922 -2.237 146 H GLY 23 H GLY 23 -11.866 2.431 0.360 147 1HA GLY 23 1HA GLY 23 -13.471 3.597 1.650 148 2HA GLY 23 2HA GLY 23 -14.388 2.111 1.809 149 H ASN 24 H ASN 24 -11.359 1.068 2.535 150 HA ASN 24 HA ASN 24 -11.826 1.581 5.399 151 1HB ASN 24 1HB ASN 24 -10.126 -0.539 4.076 152 2HB ASN 24 2HB ASN 24 -10.510 -0.433 5.782 153 1HD2 ASN 24 1HD2 ASN 24 -12.840 -2.481 3.351 154 2HD2 ASN 24 2HD2 ASN 24 -11.229 -1.955 3.006 155 H LYS 25 H LYS 25 -10.090 2.177 6.785 156 HA LYS 25 HA LYS 25 -7.975 3.639 5.476 157 1HB LYS 25 1HB LYS 25 -8.807 3.274 8.355 158 2HB LYS 25 2HB LYS 25 -7.530 4.331 7.821 159 1HG LYS 25 1HG LYS 25 -9.095 5.720 6.620 160 2HG LYS 25 2HG LYS 25 -10.406 4.595 7.000 161 1HD LYS 25 1HD LYS 25 -10.353 5.130 9.281 162 2HD LYS 25 2HD LYS 25 -8.769 5.900 9.148 163 1HE LYS 25 1HE LYS 25 -10.423 7.622 9.386 164 2HE LYS 25 2HE LYS 25 -9.811 7.664 7.732 165 1HZ LYS 25 1HZ LYS 25 -11.876 6.116 7.327 166 2HZ LYS 25 2HZ LYS 25 -12.455 6.886 8.728 167 3HZ LYS 25 3HZ LYS 25 -12.034 7.806 7.361 168 H TYR 26 H TYR 26 -6.043 2.627 5.067 169 HA TYR 26 HA TYR 26 -5.432 0.264 6.680 170 1HB TYR 26 1HB TYR 26 -4.377 1.095 3.978 171 2HB TYR 26 2HB TYR 26 -3.895 -0.352 4.851 172 HD1 TYR 26 1HD TYR 26 -6.901 1.335 3.444 173 HD2 TYR 26 2HD TYR 26 -5.068 -2.334 4.528 174 HE1 TYR 26 1HE TYR 26 -8.773 0.114 2.451 175 HE2 TYR 26 2HE TYR 26 -6.929 -3.569 3.535 176 HH TYR 26 HH TYR 26 -8.862 -3.453 2.439 177 H GLU 27 H GLU 27 -4.179 0.598 8.248 178 HA GLU 27 HA GLU 27 -2.278 2.789 8.270 179 1HB GLU 27 1HB GLU 27 -3.104 0.851 10.424 180 2HB GLU 27 2HB GLU 27 -2.096 2.257 10.654 181 1HG GLU 27 1HG GLU 27 -3.947 3.710 10.006 182 2HG GLU 27 2HG GLU 27 -4.970 2.292 9.769 183 H SER 28 H SER 28 -2.395 -0.543 7.738 184 HA SER 28 HA SER 28 0.530 -0.691 7.756 185 1HB SER 28 1HB SER 28 0.108 -3.166 8.336 186 2HB SER 28 2HB SER 28 -0.086 -2.000 9.639 187 HG SER 28 HG SER 28 -2.075 -2.636 9.797 188 H CYS 29 H CYS 29 0.934 -3.010 6.437 189 HA CYS 29 HA CYS 29 0.119 -2.391 3.810 190 1HB CYS 29 1HB CYS 29 1.290 -4.958 4.864 191 2HB CYS 29 2HB CYS 29 1.146 -4.528 3.175 192 H THR 30 H THR 30 -0.966 -3.935 2.374 193 HA THR 30 HA THR 30 -3.083 -5.514 3.644 194 HB THR 30 HB THR 30 -4.073 -3.248 3.241 195 HG1 THR 30 1HG THR 30 -5.544 -4.841 3.006 196 1HG2 THR 30 1HG2 THR 30 -4.500 -2.899 0.657 197 2HG2 THR 30 2HG2 THR 30 -3.103 -2.191 1.471 198 3HG2 THR 30 3HG2 THR 30 -2.926 -3.681 0.542 199 H SER 31 H SER 31 -4.293 -6.743 1.956 200 HA SER 31 HA SER 31 -2.592 -7.366 -0.355 201 1HB SER 31 1HB SER 31 -3.451 -9.737 -0.135 202 2HB SER 31 2HB SER 31 -2.376 -9.219 1.171 203 HG SER 31 HG SER 31 -4.070 -9.070 2.539 204 H ALA 32 H ALA 32 -4.920 -5.623 0.335 205 HA ALA 32 HA ALA 32 -7.282 -6.545 -0.873 206 1HB ALA 32 1HB ALA 32 -6.412 -4.228 0.478 207 2HB ALA 32 2HB ALA 32 -6.985 -3.679 -1.095 208 3HB ALA 32 3HB ALA 32 -8.055 -4.600 -0.040 209 H GLY 33 H GLY 33 -8.083 -6.413 -2.868 210 1HA GLY 33 1HA GLY 33 -8.195 -5.981 -5.123 211 2HA GLY 33 2HA GLY 33 -6.863 -4.853 -4.932 212 H ARG 34 H ARG 34 -5.700 -7.593 -3.570 213 HA ARG 34 HA ARG 34 -4.514 -8.398 -6.135 214 1HB ARG 34 1HB ARG 34 -3.454 -8.909 -3.352 215 2HB ARG 34 2HB ARG 34 -2.650 -9.260 -4.861 216 1HG ARG 34 1HG ARG 34 -3.031 -6.655 -5.223 217 2HG ARG 34 2HG ARG 34 -2.992 -6.690 -3.461 218 1HD ARG 34 1HD ARG 34 -0.764 -6.299 -4.492 219 2HD ARG 34 2HD ARG 34 -0.817 -7.739 -3.468 220 HE ARG 34 HE ARG 34 -0.319 -9.000 -5.301 221 1HH1 ARG 34 1HH1 ARG 34 -1.632 -5.954 -6.427 222 2HH1 ARG 34 2HH1 ARG 34 -1.287 -6.278 -8.096 223 1HH2 ARG 34 1HH2 ARG 34 0.123 -9.416 -7.512 224 2HH2 ARG 34 2HH2 ARG 34 -0.262 -8.212 -8.704 225 H SER 35 H SER 35 -4.912 -10.317 -6.949 226 HA SER 35 HA SER 35 -6.489 -12.216 -5.376 227 1HB SER 35 1HB SER 35 -5.853 -12.299 -8.337 228 2HB SER 35 2HB SER 35 -7.088 -13.229 -7.483 229 HG SER 35 HG SER 35 -7.120 -10.595 -8.344 230 H ASP 36 H ASP 36 -3.365 -11.659 -5.717 231 HA ASP 36 HA ASP 36 -2.533 -14.421 -6.150 232 1HB ASP 36 1HB ASP 36 -0.196 -13.230 -5.888 233 2HB ASP 36 2HB ASP 36 -1.079 -13.172 -7.404 234 H GLY 37 H GLY 37 -0.946 -12.072 -4.116 235 1HA GLY 37 1HA GLY 37 -1.824 -12.966 -1.648 236 2HA GLY 37 2HA GLY 37 -0.453 -13.965 -2.079 237 H LYS 38 H LYS 38 0.940 -11.712 -3.457 238 HA LYS 38 HA LYS 38 2.500 -10.820 -1.353 239 1HB LYS 38 1HB LYS 38 2.064 -9.447 -4.004 240 2HB LYS 38 2HB LYS 38 3.456 -9.256 -2.945 241 1HG LYS 38 1HG LYS 38 4.282 -10.715 -4.466 242 2HG LYS 38 2HG LYS 38 3.681 -11.841 -3.267 243 1HD LYS 38 1HD LYS 38 1.690 -12.218 -4.579 244 2HD LYS 38 2HD LYS 38 2.180 -10.982 -5.738 245 1HE LYS 38 1HE LYS 38 4.148 -12.331 -6.323 246 2HE LYS 38 2HE LYS 38 3.637 -13.568 -5.174 247 1HZ LYS 38 1HZ LYS 38 1.969 -12.678 -7.462 248 2HZ LYS 38 2HZ LYS 38 3.023 -14.011 -7.536 249 3HZ LYS 38 3HZ LYS 38 1.717 -14.022 -6.447 250 H MET 39 H MET 39 1.982 -9.500 0.270 251 HA MET 39 HA MET 39 -0.221 -7.676 0.049 252 1HB MET 39 1HB MET 39 1.792 -8.080 2.271 253 2HB MET 39 2HB MET 39 0.338 -7.102 2.376 254 1HG MET 39 1HG MET 39 -1.050 -9.053 2.062 255 2HG MET 39 2HG MET 39 0.383 -10.061 1.852 256 1HE MET 39 1HE MET 39 2.261 -9.922 3.388 257 2HE MET 39 2HE MET 39 2.253 -9.159 4.981 258 3HE MET 39 3HE MET 39 1.837 -10.865 4.817 259 H TRP 40 H TRP 40 -0.144 -5.471 -0.040 260 HA TRP 40 HA TRP 40 2.496 -4.250 -0.543 261 1HB TRP 40 1HB TRP 40 1.357 -2.877 -2.282 262 2HB TRP 40 2HB TRP 40 1.375 -4.598 -2.674 263 HD1 TRP 40 HD1 TRP 40 -1.108 -5.896 -1.940 264 HE1 TRP 40 1HE TRP 40 -3.495 -4.983 -2.186 265 HE3 TRP 40 3HE TRP 40 -0.036 -0.931 -2.396 266 HZ2 TRP 40 2HZ TRP 40 -4.751 -2.501 -2.487 267 HZ3 TRP 40 3HZ TRP 40 -1.904 0.648 -2.626 268 HH2 TRP 40 HH2 TRP 40 -4.206 -0.122 -2.679 269 H CYS 41 H CYS 41 1.728 -1.710 -0.986 270 HA CYS 41 HA CYS 41 -0.003 -0.717 1.105 271 1HB CYS 41 1HB CYS 41 1.794 0.770 2.033 272 2HB CYS 41 2HB CYS 41 2.050 -0.939 2.373 273 H ALA 42 H ALA 42 -0.788 1.360 0.570 274 HA ALA 42 HA ALA 42 -0.379 2.123 -2.165 275 1HB ALA 42 1HB ALA 42 -2.223 2.852 -0.024 276 2HB ALA 42 2HB ALA 42 -1.772 4.201 -1.067 277 3HB ALA 42 3HB ALA 42 -2.486 2.747 -1.764 278 H THR 43 H THR 43 0.466 4.038 -2.965 279 HA THR 43 HA THR 43 2.411 5.294 -1.164 280 HB THR 43 HB THR 43 3.554 6.010 -3.260 281 HG1 THR 43 1HG THR 43 2.154 5.997 -4.886 282 1HG2 THR 43 1HG2 THR 43 3.751 3.406 -4.067 283 2HG2 THR 43 2HG2 THR 43 4.689 4.160 -2.782 284 3HG2 THR 43 3HG2 THR 43 3.227 3.254 -2.389 285 H THR 44 H THR 44 -0.562 5.745 -1.808 286 HA THR 44 HA THR 44 -0.413 8.665 -1.799 287 HB THR 44 HB THR 44 -2.488 8.723 -3.219 288 HG1 THR 44 1HG THR 44 -3.408 6.837 -3.384 289 1HG2 THR 44 1HG2 THR 44 -0.948 7.420 -5.199 290 2HG2 THR 44 2HG2 THR 44 -1.159 9.148 -4.926 291 3HG2 THR 44 3HG2 THR 44 0.158 8.283 -4.129 292 H ALA 45 H ALA 45 -2.223 9.637 -0.648 293 HA ALA 45 HA ALA 45 -3.038 8.161 1.614 294 1HB ALA 45 1HB ALA 45 -3.196 10.849 0.760 295 2HB ALA 45 2HB ALA 45 -4.829 10.342 1.185 296 3HB ALA 45 3HB ALA 45 -3.526 10.193 2.363 297 H ASN 46 H ASN 46 -4.855 9.179 -1.276 298 HA ASN 46 HA ASN 46 -6.900 7.187 -0.559 299 1HB ASN 46 1HB ASN 46 -7.735 9.523 -0.926 300 2HB ASN 46 2HB ASN 46 -7.142 9.438 -2.580 301 1HD2 ASN 46 1HD2 ASN 46 -10.711 7.982 -1.605 302 2HD2 ASN 46 2HD2 ASN 46 -9.723 8.906 -0.536 303 H TYR 47 H TYR 47 -6.238 5.334 -1.377 304 HA TYR 47 HA TYR 47 -4.737 5.155 -3.796 305 1HB TYR 47 1HB TYR 47 -4.445 3.546 -1.931 306 2HB TYR 47 2HB TYR 47 -6.062 2.919 -2.254 307 HD1 TYR 47 1HD TYR 47 -2.775 3.487 -3.908 308 HD2 TYR 47 2HD TYR 47 -6.347 1.196 -3.778 309 HE1 TYR 47 1HE TYR 47 -1.860 1.982 -5.619 310 HE2 TYR 47 2HE TYR 47 -5.439 -0.321 -5.480 311 HH TYR 47 HH TYR 47 -2.769 -0.908 -6.215 312 H ASP 48 H ASP 48 -8.124 4.684 -2.963 313 HA ASP 48 HA ASP 48 -9.047 3.275 -5.128 314 1HB ASP 48 1HB ASP 48 -10.340 5.519 -3.598 315 2HB ASP 48 2HB ASP 48 -11.194 4.579 -4.816 316 H ASP 49 H ASP 49 -8.353 6.720 -4.957 317 HA ASP 49 HA ASP 49 -9.323 7.196 -7.629 318 1HB ASP 49 1HB ASP 49 -8.075 8.938 -5.520 319 2HB ASP 49 2HB ASP 49 -8.411 9.536 -7.141 320 H ASP 50 H ASP 50 -6.195 8.100 -6.188 321 HA ASP 50 HA ASP 50 -4.882 8.359 -8.651 322 1HB ASP 50 1HB ASP 50 -3.918 8.170 -5.824 323 2HB ASP 50 2HB ASP 50 -2.762 8.176 -7.153 324 H ARG 51 H ARG 51 -5.357 5.540 -6.682 325 HA ARG 51 HA ARG 51 -4.561 3.444 -6.737 326 1HB ARG 51 1HB ARG 51 -4.957 3.973 -9.655 327 2HB ARG 51 2HB ARG 51 -4.865 2.376 -8.913 328 1HG ARG 51 1HG ARG 51 -6.705 3.573 -7.347 329 2HG ARG 51 2HG ARG 51 -7.041 4.351 -8.894 330 1HD ARG 51 1HD ARG 51 -6.733 1.397 -8.658 331 2HD ARG 51 2HD ARG 51 -8.258 2.194 -8.276 332 HE ARG 51 HE ARG 51 -7.547 3.146 -10.754 333 1HH1 ARG 51 1HH1 ARG 51 -7.997 -0.040 -9.401 334 2HH1 ARG 51 2HH1 ARG 51 -8.767 -0.686 -10.818 335 1HH2 ARG 51 1HH2 ARG 51 -8.525 2.301 -12.642 336 2HH2 ARG 51 2HH2 ARG 51 -9.090 0.658 -12.658 337 H LYS 52 H LYS 52 -2.430 4.812 -6.194 338 HA LYS 52 HA LYS 52 -0.355 3.634 -7.896 339 1HB LYS 52 1HB LYS 52 -0.303 6.215 -6.317 340 2HB LYS 52 2HB LYS 52 1.142 5.474 -6.999 341 1HG LYS 52 1HG LYS 52 0.604 6.034 -9.118 342 2HG LYS 52 2HG LYS 52 -1.132 5.885 -8.840 343 1HD LYS 52 1HD LYS 52 -1.004 8.012 -7.508 344 2HD LYS 52 2HD LYS 52 0.668 8.178 -8.062 345 1HE LYS 52 1HE LYS 52 0.015 8.390 -10.308 346 2HE LYS 52 2HE LYS 52 -1.613 7.804 -9.978 347 1HZ LYS 52 1HZ LYS 52 -2.047 9.851 -8.741 348 2HZ LYS 52 2HZ LYS 52 -0.483 10.413 -9.088 349 3HZ LYS 52 3HZ LYS 52 -1.608 10.182 -10.343 350 H TRP 53 H TRP 53 0.608 2.019 -6.990 351 HA TRP 53 HA TRP 53 0.728 1.856 -4.063 352 1HB TRP 53 1HB TRP 53 0.066 -0.451 -4.242 353 2HB TRP 53 2HB TRP 53 -1.124 0.579 -4.971 354 HD1 TRP 53 HD1 TRP 53 -0.637 0.789 -7.892 355 HE1 TRP 53 1HE TRP 53 -0.180 -1.232 -9.434 356 HE3 TRP 53 3HE TRP 53 0.762 -2.487 -4.357 357 HZ2 TRP 53 2HZ TRP 53 0.652 -3.944 -9.129 358 HZ3 TRP 53 3HZ TRP 53 1.367 -4.815 -5.004 359 HH2 TRP 53 HH2 TRP 53 1.311 -5.514 -7.346 360 H GLY 54 H GLY 54 1.947 -0.095 -3.381 361 1HA GLY 54 1HA GLY 54 4.156 -1.013 -4.962 362 2HA GLY 54 2HA GLY 54 4.642 0.099 -3.681 363 H PHE 55 H PHE 55 5.185 -2.812 -3.924 364 HA PHE 55 HA PHE 55 3.518 -4.268 -2.187 365 1HB PHE 55 1HB PHE 55 6.293 -4.639 -3.236 366 2HB PHE 55 2HB PHE 55 5.693 -5.696 -1.972 367 HD1 PHE 55 1HD PHE 55 2.814 -5.045 -3.557 368 HD2 PHE 55 2HD PHE 55 6.534 -6.953 -4.330 369 HE1 PHE 55 1HE PHE 55 1.723 -6.502 -5.216 370 HE2 PHE 55 2HE PHE 55 5.454 -8.413 -5.989 371 HZ PHE 55 HZ PHE 55 3.041 -8.182 -6.441 372 H CYS 56 H CYS 56 4.144 -5.218 -0.136 373 HA CYS 56 HA CYS 56 4.790 -3.254 1.815 374 1HB CYS 56 1HB CYS 56 3.351 -5.443 2.012 375 2HB CYS 56 2HB CYS 56 4.896 -6.231 2.304 376 HA PRO 57 HA PRO 57 9.222 -3.384 1.856 377 1HB PRO 57 1HB PRO 57 9.756 -3.227 4.506 378 2HB PRO 57 2HB PRO 57 9.260 -1.849 3.515 379 1HG PRO 57 1HG PRO 57 7.582 -3.672 5.163 380 2HG PRO 57 2HG PRO 57 7.598 -1.897 5.186 381 1HD PRO 57 1HD PRO 57 5.705 -3.143 3.853 382 2HD PRO 57 2HD PRO 57 6.554 -1.794 3.062 383 H ASP 58 H ASP 58 10.315 -4.428 4.479 384 HA ASP 58 HA ASP 58 11.439 -6.779 3.605 385 1HB ASP 58 1HB ASP 58 12.045 -5.394 5.677 386 2HB ASP 58 2HB ASP 58 10.811 -6.323 6.520 387 H GLN 59 H GLN 59 10.414 -8.522 2.894 388 HA GLN 59 HA GLN 59 8.257 -9.648 4.547 389 1HB GLN 59 1HB GLN 59 8.491 -9.673 1.538 390 2HB GLN 59 2HB GLN 59 7.296 -10.588 2.445 391 1HG GLN 59 1HG GLN 59 6.471 -8.410 3.356 392 2HG GLN 59 2HG GLN 59 7.551 -7.601 2.220 393 1HE2 GLN 59 1HE2 GLN 59 3.949 -8.710 1.040 394 2HE2 GLN 59 2HE2 GLN 59 4.466 -8.561 2.685 395 H GLY 60 H GLY 60 7.939 -12.058 3.958 396 1HA GLY 60 1HA GLY 60 8.826 -14.179 3.581 397 2HA GLY 60 2HA GLY 60 10.360 -13.430 3.151 Start of MODEL 12 1 H SER 1 1H SER 1 15.137 7.981 8.853 2 HA SER 1 HA SER 1 16.238 6.505 7.710 3 1HB SER 1 1HB SER 1 13.903 4.636 8.227 4 2HB SER 1 2HB SER 1 15.422 4.158 7.469 5 HG SER 1 HG SER 1 16.139 3.862 9.412 6 H TRP 2 H TRP 2 16.310 5.678 5.527 7 HA TRP 2 HA TRP 2 14.425 7.033 3.780 8 1HB TRP 2 1HB TRP 2 16.955 7.042 3.493 9 2HB TRP 2 2HB TRP 2 16.824 5.359 2.996 10 HD1 TRP 2 HD1 TRP 2 14.935 5.085 0.795 11 HE1 TRP 2 1HE TRP 2 14.909 6.522 -1.342 12 HE3 TRP 2 3HE TRP 2 17.499 9.160 2.534 13 HZ2 TRP 2 2HZ TRP 2 15.865 9.054 -2.174 14 HZ3 TRP 2 3HZ TRP 2 17.905 11.044 1.001 15 HH2 TRP 2 HH2 TRP 2 17.100 10.988 -1.305 16 H MET 3 H MET 3 12.546 5.791 4.022 17 HA MET 3 HA MET 3 12.692 2.947 3.430 18 1HB MET 3 1HB MET 3 10.390 4.697 4.310 19 2HB MET 3 2HB MET 3 10.258 2.973 4.000 20 1HG MET 3 1HG MET 3 11.923 2.553 5.769 21 2HG MET 3 2HG MET 3 11.964 4.284 6.105 22 1HE MET 3 1HE MET 3 9.288 5.330 5.837 23 2HE MET 3 2HE MET 3 8.236 4.914 7.189 24 3HE MET 3 3HE MET 3 9.840 5.584 7.493 25 H SER 4 H SER 4 12.058 2.012 1.624 26 HA SER 4 HA SER 4 10.637 3.607 -0.404 27 1HB SER 4 1HB SER 4 12.833 1.600 -1.000 28 2HB SER 4 2HB SER 4 12.014 2.654 -2.150 29 HG SER 4 HG SER 4 14.148 3.166 -0.552 30 H THR 5 H THR 5 9.772 1.975 -2.166 31 HA THR 5 HA THR 5 8.614 -0.276 -0.685 32 HB THR 5 HB THR 5 6.852 -0.132 -2.558 33 HG1 THR 5 1HG THR 5 7.541 2.572 -2.723 34 1HG2 THR 5 1HG2 THR 5 6.441 2.344 -1.123 35 2HG2 THR 5 2HG2 THR 5 5.508 0.847 -1.099 36 3HG2 THR 5 3HG2 THR 5 6.925 1.019 -0.063 37 H VAL 6 H VAL 6 7.777 -1.993 -2.185 38 HA VAL 6 HA VAL 6 9.652 -2.673 -4.319 39 HB VAL 6 HB VAL 6 10.437 -4.254 -2.887 40 1HG1 VAL 6 1HG1 VAL 6 9.043 -3.133 -1.022 41 2HG1 VAL 6 2HG1 VAL 6 7.962 -4.510 -1.237 42 3HG1 VAL 6 3HG1 VAL 6 9.641 -4.774 -0.772 43 1HG2 VAL 6 1HG2 VAL 6 9.162 -5.642 -4.422 44 2HG2 VAL 6 2HG2 VAL 6 9.247 -6.372 -2.818 45 3HG2 VAL 6 3HG2 VAL 6 7.773 -5.556 -3.336 46 H GLY 7 H GLY 7 8.431 -4.339 -5.818 47 1HA GLY 7 1HA GLY 7 6.452 -4.829 -6.982 48 2HA GLY 7 2HA GLY 7 5.637 -4.619 -5.462 49 H GLY 8 H GLY 8 3.887 -3.589 -6.429 50 1HA GLY 8 1HA GLY 8 2.656 -1.810 -7.187 51 2HA GLY 8 2HA GLY 8 3.790 -0.864 -6.253 52 H ASN 9 H ASN 9 3.835 0.873 -7.582 53 HA ASN 9 HA ASN 9 5.392 0.547 -10.029 54 1HB ASN 9 1HB ASN 9 3.849 2.359 -11.101 55 2HB ASN 9 2HB ASN 9 3.351 0.687 -11.143 56 1HD2 ASN 9 1HD2 ASN 9 1.355 2.453 -8.162 57 2HD2 ASN 9 2HD2 ASN 9 3.051 2.143 -8.122 58 H SER 10 H SER 10 5.798 1.505 -7.298 59 HA SER 10 HA SER 10 6.238 4.365 -7.748 60 1HB SER 10 1HB SER 10 6.347 2.866 -5.128 61 2HB SER 10 2HB SER 10 6.182 4.597 -5.386 62 HG SER 10 HG SER 10 4.259 2.664 -5.352 63 H GLY 11 H GLY 11 7.834 1.766 -5.882 64 1HA GLY 11 1HA GLY 11 10.053 1.081 -5.949 65 2HA GLY 11 2HA GLY 11 10.350 2.264 -7.217 66 H GLY 12 H GLY 12 10.217 4.615 -6.411 67 1HA GLY 12 1HA GLY 12 12.000 4.768 -4.106 68 2HA GLY 12 2HA GLY 12 11.668 6.056 -5.253 69 H ALA 13 H ALA 13 8.673 5.208 -4.709 70 HA ALA 13 HA ALA 13 8.318 7.218 -2.659 71 1HB ALA 13 1HB ALA 13 6.299 5.661 -4.263 72 2HB ALA 13 2HB ALA 13 5.904 6.932 -3.105 73 3HB ALA 13 3HB ALA 13 6.837 7.319 -4.548 74 HA PRO 14 HA PRO 14 7.703 4.218 0.557 75 1HB PRO 14 1HB PRO 14 7.320 5.946 2.564 76 2HB PRO 14 2HB PRO 14 8.888 5.817 1.757 77 1HG PRO 14 1HG PRO 14 6.798 7.922 1.514 78 2HG PRO 14 2HG PRO 14 8.561 8.063 1.384 79 1HD PRO 14 1HD PRO 14 6.699 7.881 -0.758 80 2HD PRO 14 2HD PRO 14 8.465 7.799 -0.870 81 H CYS 15 H CYS 15 6.023 3.701 2.282 82 HA CYS 15 HA CYS 15 3.375 3.974 1.147 83 1HB CYS 15 1HB CYS 15 3.818 2.842 3.881 84 2HB CYS 15 2HB CYS 15 2.692 2.329 2.633 85 H VAL 16 H VAL 16 1.651 5.124 2.007 86 HA VAL 16 HA VAL 16 2.325 6.991 4.183 87 HB VAL 16 HB VAL 16 0.360 7.454 1.933 88 1HG1 VAL 16 1HG1 VAL 16 1.101 9.029 4.351 89 2HG1 VAL 16 2HG1 VAL 16 0.662 9.875 2.865 90 3HG1 VAL 16 3HG1 VAL 16 -0.483 8.764 3.619 91 1HG2 VAL 16 1HG2 VAL 16 3.131 8.523 2.378 92 2HG2 VAL 16 2HG2 VAL 16 2.548 7.574 1.010 93 3HG2 VAL 16 3HG2 VAL 16 1.980 9.227 1.242 94 H PHE 17 H PHE 17 1.523 5.601 5.837 95 HA PHE 17 HA PHE 17 -1.279 4.895 5.677 96 1HB PHE 17 1HB PHE 17 0.400 4.367 8.094 97 2HB PHE 17 2HB PHE 17 -1.024 3.529 7.531 98 HD1 PHE 17 1HD PHE 17 -0.654 2.488 5.071 99 HD2 PHE 17 2HD PHE 17 2.310 3.183 8.017 100 HE1 PHE 17 1HE PHE 17 0.709 0.690 4.103 101 HE2 PHE 17 2HE PHE 17 3.703 1.388 7.058 102 HZ PHE 17 HZ PHE 17 2.913 0.114 5.087 103 HA PRO 18 HA PRO 18 -2.726 4.305 6.966 104 1HB PRO 18 1HB PRO 18 -5.293 5.450 7.339 105 2HB PRO 18 2HB PRO 18 -4.435 4.372 8.440 106 1HG PRO 18 1HG PRO 18 -5.044 7.063 8.928 107 2HG PRO 18 2HG PRO 18 -3.879 6.077 9.828 108 1HD PRO 18 1HD PRO 18 -3.405 8.089 7.680 109 2HD PRO 18 2HD PRO 18 -2.393 7.669 9.078 110 H PHE 19 H PHE 19 -3.247 3.720 4.880 111 HA PHE 19 HA PHE 19 -4.004 5.930 3.082 112 1HB PHE 19 1HB PHE 19 -3.995 4.111 1.269 113 2HB PHE 19 2HB PHE 19 -2.447 4.640 1.893 114 HD1 PHE 19 1HD PHE 19 -1.580 3.097 3.938 115 HD2 PHE 19 2HD PHE 19 -4.301 1.917 0.898 116 HE1 PHE 19 1HE PHE 19 -0.963 0.737 4.286 117 HE2 PHE 19 2HE PHE 19 -3.683 -0.436 1.234 118 HZ PHE 19 HZ PHE 19 -2.015 -1.029 2.943 119 H THR 20 H THR 20 -5.678 4.557 1.285 120 HA THR 20 HA THR 20 -7.675 3.369 3.008 121 HB THR 20 HB THR 20 -8.245 5.950 1.525 122 HG1 THR 20 1HG THR 20 -7.258 5.538 3.941 123 1HG2 THR 20 1HG2 THR 20 -10.153 4.729 3.455 124 2HG2 THR 20 2HG2 THR 20 -10.440 5.872 2.145 125 3HG2 THR 20 3HG2 THR 20 -10.136 4.169 1.782 126 H PHE 21 H PHE 21 -8.629 1.869 2.212 127 HA PHE 21 HA PHE 21 -9.097 1.679 -0.576 128 1HB PHE 21 1HB PHE 21 -8.217 -0.331 1.127 129 2HB PHE 21 2HB PHE 21 -9.633 -0.884 0.356 130 HD1 PHE 21 1HD PHE 21 -8.020 1.319 -1.830 131 HD2 PHE 21 2HD PHE 21 -7.750 -2.553 -0.131 132 HE1 PHE 21 1HE PHE 21 -6.886 0.498 -3.845 133 HE2 PHE 21 2HE PHE 21 -6.674 -3.405 -2.144 134 HZ PHE 21 HZ PHE 21 -6.191 -1.857 -4.017 135 H LEU 22 H LEU 22 -10.690 -0.244 -0.791 136 HA LEU 22 HA LEU 22 -12.999 0.929 -1.433 137 1HB LEU 22 1HB LEU 22 -12.846 -1.998 -1.018 138 2HB LEU 22 2HB LEU 22 -13.503 -1.121 -2.373 139 HG LEU 22 HG LEU 22 -11.602 -2.075 -3.311 140 1HD1 LEU 22 1HD1 LEU 22 -11.152 0.654 -2.619 141 2HD1 LEU 22 2HD1 LEU 22 -9.661 -0.257 -2.859 142 3HD1 LEU 22 3HD1 LEU 22 -10.882 -0.210 -4.131 143 1HD2 LEU 22 1HD2 LEU 22 -10.544 -1.944 -0.585 144 2HD2 LEU 22 2HD2 LEU 22 -10.775 -3.329 -1.655 145 3HD2 LEU 22 3HD2 LEU 22 -9.460 -2.193 -1.954 146 H GLY 23 H GLY 23 -12.743 1.530 1.174 147 1HA GLY 23 1HA GLY 23 -14.821 1.886 2.487 148 2HA GLY 23 2HA GLY 23 -15.013 0.140 2.453 149 H ASN 24 H ASN 24 -11.719 0.643 2.788 150 HA ASN 24 HA ASN 24 -11.963 0.864 5.695 151 1HB ASN 24 1HB ASN 24 -10.119 -1.131 4.472 152 2HB ASN 24 2HB ASN 24 -10.792 -1.096 6.076 153 1HD2 ASN 24 1HD2 ASN 24 -12.513 -3.208 3.181 154 2HD2 ASN 24 2HD2 ASN 24 -10.975 -2.433 3.039 155 H LYS 25 H LYS 25 -10.388 2.015 6.643 156 HA LYS 25 HA LYS 25 -8.338 3.214 5.016 157 1HB LYS 25 1HB LYS 25 -8.526 3.516 7.983 158 2HB LYS 25 2HB LYS 25 -8.128 4.696 6.762 159 1HG LYS 25 1HG LYS 25 -10.438 4.902 6.107 160 2HG LYS 25 2HG LYS 25 -10.888 3.621 7.235 161 1HD LYS 25 1HD LYS 25 -10.263 4.964 9.115 162 2HD LYS 25 2HD LYS 25 -9.570 6.193 8.060 163 1HE LYS 25 1HE LYS 25 -11.722 6.943 8.859 164 2HE LYS 25 2HE LYS 25 -11.815 6.621 7.126 165 1HZ LYS 25 1HZ LYS 25 -12.660 4.314 7.887 166 2HZ LYS 25 2HZ LYS 25 -12.970 5.081 9.373 167 3HZ LYS 25 3HZ LYS 25 -13.716 5.634 7.952 168 H TYR 26 H TYR 26 -6.248 2.390 4.924 169 HA TYR 26 HA TYR 26 -5.675 0.291 6.847 170 1HB TYR 26 1HB TYR 26 -4.328 0.545 4.182 171 2HB TYR 26 2HB TYR 26 -4.297 -0.805 5.297 172 HD1 TYR 26 1HD TYR 26 -7.194 -0.996 5.964 173 HD2 TYR 26 2HD TYR 26 -5.317 -0.413 2.196 174 HE1 TYR 26 1HE TYR 26 -8.977 -2.228 4.917 175 HE2 TYR 26 2HE TYR 26 -7.116 -1.633 1.143 176 HH TYR 26 HH TYR 26 -9.101 -3.654 2.539 177 H GLU 27 H GLU 27 -4.559 0.763 8.347 178 HA GLU 27 HA GLU 27 -2.660 2.948 8.400 179 1HB GLU 27 1HB GLU 27 -2.930 1.162 10.736 180 2HB GLU 27 2HB GLU 27 -2.993 2.907 10.644 181 1HG GLU 27 1HG GLU 27 -5.272 2.867 9.915 182 2HG GLU 27 2HG GLU 27 -5.240 1.111 9.795 183 H SER 28 H SER 28 -2.579 -0.357 7.819 184 HA SER 28 HA SER 28 0.329 -0.391 8.050 185 1HB SER 28 1HB SER 28 -0.177 -2.935 8.627 186 2HB SER 28 2HB SER 28 -0.175 -1.716 9.900 187 HG SER 28 HG SER 28 -2.111 -2.492 10.264 188 H CYS 29 H CYS 29 0.930 -2.711 6.795 189 HA CYS 29 HA CYS 29 0.064 -2.232 4.149 190 1HB CYS 29 1HB CYS 29 1.185 -4.884 4.963 191 2HB CYS 29 2HB CYS 29 1.423 -3.996 3.471 192 H THR 30 H THR 30 -1.152 -3.609 2.812 193 HA THR 30 HA THR 30 -3.017 -5.422 4.180 194 HB THR 30 HB THR 30 -4.196 -3.234 3.719 195 HG1 THR 30 1HG THR 30 -5.573 -4.890 3.610 196 1HG2 THR 30 1HG2 THR 30 -4.634 -2.602 1.421 197 2HG2 THR 30 2HG2 THR 30 -2.908 -2.537 1.774 198 3HG2 THR 30 3HG2 THR 30 -3.568 -3.884 0.846 199 H SER 31 H SER 31 -4.233 -6.639 2.313 200 HA SER 31 HA SER 31 -2.383 -7.158 0.102 201 1HB SER 31 1HB SER 31 -3.264 -9.640 0.420 202 2HB SER 31 2HB SER 31 -1.870 -9.034 1.335 203 HG SER 31 HG SER 31 -3.264 -8.629 3.086 204 H ALA 32 H ALA 32 -4.896 -5.702 0.777 205 HA ALA 32 HA ALA 32 -7.134 -6.834 -0.505 206 1HB ALA 32 1HB ALA 32 -7.013 -4.818 1.102 207 2HB ALA 32 2HB ALA 32 -6.566 -3.879 -0.325 208 3HB ALA 32 3HB ALA 32 -8.122 -4.699 -0.264 209 H GLY 33 H GLY 33 -8.050 -6.259 -2.568 210 1HA GLY 33 1HA GLY 33 -7.977 -5.734 -4.809 211 2HA GLY 33 2HA GLY 33 -6.578 -4.729 -4.466 212 H ARG 34 H ARG 34 -5.764 -7.636 -3.242 213 HA ARG 34 HA ARG 34 -4.474 -8.490 -5.735 214 1HB ARG 34 1HB ARG 34 -3.533 -8.786 -2.881 215 2HB ARG 34 2HB ARG 34 -2.690 -9.373 -4.295 216 1HG ARG 34 1HG ARG 34 -2.898 -6.798 -4.973 217 2HG ARG 34 2HG ARG 34 -2.905 -6.644 -3.218 218 1HD ARG 34 1HD ARG 34 -0.628 -6.545 -4.248 219 2HD ARG 34 2HD ARG 34 -0.824 -7.814 -3.032 220 HE ARG 34 HE ARG 34 -0.490 -9.389 -4.663 221 1HH1 ARG 34 1HH1 ARG 34 -1.081 -6.297 -6.181 222 2HH1 ARG 34 2HH1 ARG 34 -0.864 -6.891 -7.795 223 1HH2 ARG 34 1HH2 ARG 34 -0.200 -10.181 -6.784 224 2HH2 ARG 34 2HH2 ARG 34 -0.343 -9.106 -8.138 225 H SER 35 H SER 35 -5.323 -9.785 -2.557 226 HA SER 35 HA SER 35 -6.351 -11.672 -1.865 227 1HB SER 35 1HB SER 35 -7.188 -11.880 -4.758 228 2HB SER 35 2HB SER 35 -7.721 -12.997 -3.501 229 HG SER 35 HG SER 35 -8.757 -11.321 -2.464 230 H ASP 36 H ASP 36 -3.541 -11.660 -3.300 231 HA ASP 36 HA ASP 36 -3.387 -14.554 -3.675 232 1HB ASP 36 1HB ASP 36 -0.944 -13.901 -4.367 233 2HB ASP 36 2HB ASP 36 -2.269 -13.736 -5.498 234 H GLY 37 H GLY 37 -0.834 -12.466 -2.614 235 1HA GLY 37 1HA GLY 37 -0.927 -13.277 0.100 236 2HA GLY 37 2HA GLY 37 0.322 -14.136 -0.781 237 H LYS 38 H LYS 38 0.892 -11.867 -2.543 238 HA LYS 38 HA LYS 38 2.877 -10.598 -1.000 239 1HB LYS 38 1HB LYS 38 1.719 -9.762 -3.661 240 2HB LYS 38 2HB LYS 38 3.293 -9.316 -3.020 241 1HG LYS 38 1HG LYS 38 3.761 -10.973 -4.557 242 2HG LYS 38 2HG LYS 38 3.805 -11.834 -3.031 243 1HD LYS 38 1HD LYS 38 1.563 -12.697 -3.459 244 2HD LYS 38 2HD LYS 38 1.478 -11.777 -4.964 245 1HE LYS 38 1HE LYS 38 3.391 -13.048 -5.833 246 2HE LYS 38 2HE LYS 38 3.458 -13.968 -4.332 247 1HZ LYS 38 1HZ LYS 38 1.138 -13.928 -6.192 248 2HZ LYS 38 2HZ LYS 38 2.311 -15.156 -6.120 249 3HZ LYS 38 3HZ LYS 38 1.288 -14.876 -4.788 250 H MET 39 H MET 39 2.437 -9.145 0.544 251 HA MET 39 HA MET 39 0.049 -7.526 0.403 252 1HB MET 39 1HB MET 39 2.254 -7.588 2.475 253 2HB MET 39 2HB MET 39 0.726 -6.743 2.621 254 1HG MET 39 1HG MET 39 -0.469 -8.855 2.576 255 2HG MET 39 2HG MET 39 1.055 -9.725 2.379 256 1HE MET 39 1HE MET 39 -0.092 -6.727 4.259 257 2HE MET 39 2HE MET 39 -1.087 -7.659 5.377 258 3HE MET 39 3HE MET 39 0.441 -6.965 5.924 259 H TRP 40 H TRP 40 0.004 -5.276 0.434 260 HA TRP 40 HA TRP 40 2.477 -3.939 -0.438 261 1HB TRP 40 1HB TRP 40 1.073 -2.586 -2.012 262 2HB TRP 40 2HB TRP 40 1.150 -4.295 -2.443 263 HD1 TRP 40 HD1 TRP 40 -1.116 -5.777 -1.657 264 HE1 TRP 40 1HE TRP 40 -3.562 -5.050 -1.486 265 HE3 TRP 40 3HE TRP 40 -0.475 -0.709 -1.679 266 HZ2 TRP 40 2HZ TRP 40 -5.022 -2.684 -1.326 267 HZ3 TRP 40 3HZ TRP 40 -2.480 0.728 -1.473 268 HH2 TRP 40 HH2 TRP 40 -4.739 -0.260 -1.287 269 H CYS 41 H CYS 41 1.671 -1.455 -0.704 270 HA CYS 41 HA CYS 41 0.070 -0.507 1.501 271 1HB CYS 41 1HB CYS 41 1.911 0.855 2.459 272 2HB CYS 41 2HB CYS 41 2.219 -0.871 2.631 273 H ALA 42 H ALA 42 -0.763 1.526 0.963 274 HA ALA 42 HA ALA 42 -0.217 2.411 -1.720 275 1HB ALA 42 1HB ALA 42 -2.482 2.569 -0.751 276 2HB ALA 42 2HB ALA 42 -1.885 3.783 0.380 277 3HB ALA 42 3HB ALA 42 -1.882 4.115 -1.352 278 H THR 43 H THR 43 0.775 4.284 -2.357 279 HA THR 43 HA THR 43 2.629 5.385 -0.383 280 HB THR 43 HB THR 43 3.943 6.103 -2.293 281 HG1 THR 43 1HG THR 43 2.011 6.510 -3.631 282 1HG2 THR 43 1HG2 THR 43 3.242 3.470 -3.345 283 2HG2 THR 43 2HG2 THR 43 4.775 4.071 -2.712 284 3HG2 THR 43 3HG2 THR 43 3.528 3.495 -1.606 285 H THR 44 H THR 44 -0.278 6.017 -0.900 286 HA THR 44 HA THR 44 -0.010 8.910 -0.727 287 HB THR 44 HB THR 44 -2.101 9.125 -2.151 288 HG1 THR 44 1HG THR 44 -2.996 7.336 -2.739 289 1HG2 THR 44 1HG2 THR 44 -0.455 8.087 -4.210 290 2HG2 THR 44 2HG2 THR 44 -0.742 9.769 -3.762 291 3HG2 THR 44 3HG2 THR 44 0.575 8.868 -3.011 292 H ALA 45 H ALA 45 -1.587 9.852 0.589 293 HA ALA 45 HA ALA 45 -2.532 8.347 2.724 294 1HB ALA 45 1HB ALA 45 -3.156 11.069 1.692 295 2HB ALA 45 2HB ALA 45 -4.161 10.389 2.971 296 3HB ALA 45 3HB ALA 45 -2.428 10.573 3.224 297 H ASN 46 H ASN 46 -4.099 9.029 -0.326 298 HA ASN 46 HA ASN 46 -6.292 7.258 0.475 299 1HB ASN 46 1HB ASN 46 -7.042 9.659 0.251 300 2HB ASN 46 2HB ASN 46 -6.579 9.580 -1.451 301 1HD2 ASN 46 1HD2 ASN 46 -10.147 8.345 -0.307 302 2HD2 ASN 46 2HD2 ASN 46 -9.070 9.290 0.652 303 H TYR 47 H TYR 47 -6.273 5.479 -0.715 304 HA TYR 47 HA TYR 47 -4.613 5.405 -3.087 305 1HB TYR 47 1HB TYR 47 -4.492 3.613 -1.361 306 2HB TYR 47 2HB TYR 47 -6.117 3.115 -1.825 307 HD1 TYR 47 1HD TYR 47 -6.507 2.297 -4.190 308 HD2 TYR 47 2HD TYR 47 -2.627 2.955 -2.603 309 HE1 TYR 47 1HE TYR 47 -5.537 0.906 -5.968 310 HE2 TYR 47 2HE TYR 47 -1.655 1.568 -4.366 311 HH TYR 47 HH TYR 47 -2.520 -0.346 -5.889 312 H ASP 48 H ASP 48 -8.035 4.827 -2.287 313 HA ASP 48 HA ASP 48 -9.021 3.886 -4.640 314 1HB ASP 48 1HB ASP 48 -10.149 5.709 -2.571 315 2HB ASP 48 2HB ASP 48 -11.049 5.501 -4.072 316 H ASP 49 H ASP 49 -7.946 7.174 -4.060 317 HA ASP 49 HA ASP 49 -8.963 8.054 -6.632 318 1HB ASP 49 1HB ASP 49 -7.612 9.493 -4.360 319 2HB ASP 49 2HB ASP 49 -7.982 10.266 -5.891 320 H ASP 50 H ASP 50 -5.783 8.380 -5.017 321 HA ASP 50 HA ASP 50 -4.469 8.937 -7.475 322 1HB ASP 50 1HB ASP 50 -3.484 8.454 -4.684 323 2HB ASP 50 2HB ASP 50 -2.359 8.643 -6.027 324 H ARG 51 H ARG 51 -5.162 5.941 -5.925 325 HA ARG 51 HA ARG 51 -4.417 3.826 -6.191 326 1HB ARG 51 1HB ARG 51 -4.621 4.794 -9.018 327 2HB ARG 51 2HB ARG 51 -4.540 3.100 -8.542 328 1HG ARG 51 1HG ARG 51 -6.489 4.228 -6.928 329 2HG ARG 51 2HG ARG 51 -6.800 4.869 -8.545 330 1HD ARG 51 1HD ARG 51 -6.404 1.978 -7.846 331 2HD ARG 51 2HD ARG 51 -7.969 2.755 -8.083 332 HE ARG 51 HE ARG 51 -6.123 1.887 -10.116 333 1HH1 ARG 51 1HH1 ARG 51 -8.796 3.997 -9.350 334 2HH1 ARG 51 2HH1 ARG 51 -9.195 4.320 -11.006 335 1HH2 ARG 51 1HH2 ARG 51 -6.701 2.215 -12.294 336 2HH2 ARG 51 2HH2 ARG 51 -8.035 3.252 -12.688 337 H LYS 52 H LYS 52 -2.233 5.013 -5.346 338 HA LYS 52 HA LYS 52 -0.138 3.935 -7.097 339 1HB LYS 52 1HB LYS 52 -0.105 6.388 -5.342 340 2HB LYS 52 2HB LYS 52 1.389 5.601 -5.844 341 1HG LYS 52 1HG LYS 52 1.131 6.191 -8.041 342 2HG LYS 52 2HG LYS 52 -0.627 6.285 -7.919 343 1HD LYS 52 1HD LYS 52 -0.388 8.354 -6.582 344 2HD LYS 52 2HD LYS 52 1.364 8.260 -6.798 345 1HE LYS 52 1HE LYS 52 0.205 9.812 -8.371 346 2HE LYS 52 2HE LYS 52 1.160 8.555 -9.158 347 1HZ LYS 52 1HZ LYS 52 -1.685 8.018 -8.674 348 2HZ LYS 52 2HZ LYS 52 -1.279 9.097 -9.925 349 3HZ LYS 52 3HZ LYS 52 -0.689 7.502 -9.946 350 H TRP 53 H TRP 53 0.693 2.158 -6.329 351 HA TRP 53 HA TRP 53 0.743 1.754 -3.416 352 1HB TRP 53 1HB TRP 53 0.024 -0.523 -3.791 353 2HB TRP 53 2HB TRP 53 -1.118 0.589 -4.456 354 HD1 TRP 53 HD1 TRP 53 -0.641 1.015 -7.332 355 HE1 TRP 53 1HE TRP 53 -0.232 -0.879 -9.045 356 HE3 TRP 53 3HE TRP 53 0.824 -2.528 -4.096 357 HZ2 TRP 53 2HZ TRP 53 0.637 -3.590 -8.974 358 HZ3 TRP 53 3HZ TRP 53 1.453 -4.783 -4.950 359 HH2 TRP 53 HH2 TRP 53 1.360 -5.290 -7.343 360 H GLY 54 H GLY 54 1.936 -0.243 -2.848 361 1HA GLY 54 1HA GLY 54 4.145 -1.132 -4.409 362 2HA GLY 54 2HA GLY 54 4.650 0.034 -3.192 363 H PHE 55 H PHE 55 4.888 -2.999 -3.593 364 HA PHE 55 HA PHE 55 3.534 -4.357 -1.571 365 1HB PHE 55 1HB PHE 55 6.138 -4.819 -3.006 366 2HB PHE 55 2HB PHE 55 5.547 -5.931 -1.787 367 HD1 PHE 55 1HD PHE 55 2.557 -5.374 -2.704 368 HD2 PHE 55 2HD PHE 55 6.128 -6.578 -4.672 369 HE1 PHE 55 1HE PHE 55 1.223 -6.605 -4.370 370 HE2 PHE 55 2HE PHE 55 4.807 -7.810 -6.336 371 HZ PHE 55 HZ PHE 55 2.347 -7.818 -6.189 372 H CYS 56 H CYS 56 4.399 -5.255 0.397 373 HA CYS 56 HA CYS 56 6.121 -3.338 1.808 374 1HB CYS 56 1HB CYS 56 3.876 -5.119 2.660 375 2HB CYS 56 2HB CYS 56 5.194 -4.880 3.815 376 HA PRO 57 HA PRO 57 9.435 -6.208 2.156 377 1HB PRO 57 1HB PRO 57 10.406 -5.888 4.611 378 2HB PRO 57 2HB PRO 57 10.457 -4.574 3.422 379 1HG PRO 57 1HG PRO 57 8.393 -5.130 5.495 380 2HG PRO 57 2HG PRO 57 9.327 -3.631 5.288 381 1HD PRO 57 1HD PRO 57 6.877 -3.816 4.278 382 2HD PRO 57 2HD PRO 57 8.173 -3.092 3.298 383 H ASP 58 H ASP 58 10.346 -7.449 4.520 384 HA ASP 58 HA ASP 58 9.399 -9.995 4.371 385 1HB ASP 58 1HB ASP 58 11.408 -9.133 5.682 386 2HB ASP 58 2HB ASP 58 10.287 -8.792 6.996 387 H GLN 59 H GLN 59 7.390 -10.685 4.480 388 HA GLN 59 HA GLN 59 5.417 -9.397 6.142 389 1HB GLN 59 1HB GLN 59 5.197 -11.863 4.402 390 2HB GLN 59 2HB GLN 59 3.849 -10.976 5.103 391 1HG GLN 59 1HG GLN 59 4.400 -9.044 3.774 392 2HG GLN 59 2HG GLN 59 5.820 -9.860 3.122 393 1HE2 GLN 59 1HE2 GLN 59 2.723 -12.041 1.897 394 2HE2 GLN 59 2HE2 GLN 59 3.351 -12.064 3.507 395 H GLY 60 H GLY 60 7.428 -12.247 6.324 396 1HA GLY 60 1HA GLY 60 7.358 -12.693 8.970 397 2HA GLY 60 2HA GLY 60 5.842 -13.417 8.459 Start of MODEL 13 1 H SER 1 1H SER 1 17.844 6.092 -1.065 2 HA SER 1 HA SER 1 15.430 6.262 -1.410 3 1HB SER 1 1HB SER 1 15.894 3.562 -2.704 4 2HB SER 1 2HB SER 1 14.330 4.328 -2.419 5 HG SER 1 HG SER 1 15.176 4.578 -4.594 6 H TRP 2 H TRP 2 15.413 6.219 0.806 7 HA TRP 2 HA TRP 2 16.299 3.860 2.236 8 1HB TRP 2 1HB TRP 2 16.720 6.119 3.160 9 2HB TRP 2 2HB TRP 2 14.981 6.370 3.302 10 HD1 TRP 2 HD1 TRP 2 17.420 3.579 4.528 11 HE1 TRP 2 1HE TRP 2 16.823 3.042 6.974 12 HE3 TRP 2 3HE TRP 2 13.534 6.847 5.145 13 HZ2 TRP 2 2HZ TRP 2 14.935 3.880 8.901 14 HZ3 TRP 2 3HZ TRP 2 12.374 6.909 7.316 15 HH2 TRP 2 HH2 TRP 2 13.064 5.451 9.155 16 H MET 3 H MET 3 13.264 5.719 2.442 17 HA MET 3 HA MET 3 11.865 3.229 3.031 18 1HB MET 3 1HB MET 3 9.919 4.826 3.452 19 2HB MET 3 2HB MET 3 11.244 4.863 4.598 20 1HG MET 3 1HG MET 3 12.043 6.920 3.745 21 2HG MET 3 2HG MET 3 11.017 6.805 2.313 22 1HE MET 3 1HE MET 3 10.919 6.447 6.020 23 2HE MET 3 2HE MET 3 9.825 7.702 6.599 24 3HE MET 3 3HE MET 3 9.181 6.152 6.060 25 H SER 4 H SER 4 11.787 2.273 1.042 26 HA SER 4 HA SER 4 10.104 3.655 -0.939 27 1HB SER 4 1HB SER 4 12.455 1.815 -1.452 28 2HB SER 4 2HB SER 4 11.373 2.440 -2.700 29 HG SER 4 HG SER 4 12.003 4.590 -1.801 30 H THR 5 H THR 5 9.591 1.675 -2.681 31 HA THR 5 HA THR 5 8.364 -0.418 -1.038 32 HB THR 5 HB THR 5 6.573 -0.318 -2.909 33 HG1 THR 5 1HG THR 5 7.512 2.346 -3.081 34 1HG2 THR 5 1HG2 THR 5 6.163 2.157 -1.483 35 2HG2 THR 5 2HG2 THR 5 5.250 0.649 -1.425 36 3HG2 THR 5 3HG2 THR 5 6.684 0.852 -0.418 37 H VAL 6 H VAL 6 7.569 -2.220 -2.440 38 HA VAL 6 HA VAL 6 9.411 -2.909 -4.601 39 HB VAL 6 HB VAL 6 10.254 -4.456 -3.175 40 1HG1 VAL 6 1HG1 VAL 6 8.619 -3.294 -1.353 41 2HG1 VAL 6 2HG1 VAL 6 8.031 -4.961 -1.338 42 3HG1 VAL 6 3HG1 VAL 6 9.726 -4.618 -1.002 43 1HG2 VAL 6 1HG2 VAL 6 7.844 -5.598 -4.268 44 2HG2 VAL 6 2HG2 VAL 6 9.452 -6.305 -4.089 45 3HG2 VAL 6 3HG2 VAL 6 8.307 -6.363 -2.747 46 H GLY 7 H GLY 7 8.200 -4.582 -6.072 47 1HA GLY 7 1HA GLY 7 6.186 -5.198 -7.122 48 2HA GLY 7 2HA GLY 7 5.393 -4.841 -5.615 49 H GLY 8 H GLY 8 3.675 -3.777 -6.455 50 1HA GLY 8 1HA GLY 8 2.475 -2.086 -7.459 51 2HA GLY 8 2HA GLY 8 3.561 -1.112 -6.500 52 H ASN 9 H ASN 9 3.868 0.595 -7.751 53 HA ASN 9 HA ASN 9 5.350 0.199 -10.225 54 1HB ASN 9 1HB ASN 9 3.798 2.225 -11.091 55 2HB ASN 9 2HB ASN 9 3.454 0.544 -11.427 56 1HD2 ASN 9 1HD2 ASN 9 0.946 2.763 -9.281 57 2HD2 ASN 9 2HD2 ASN 9 2.415 3.366 -9.968 58 H SER 10 H SER 10 4.442 2.214 -7.530 59 HA SER 10 HA SER 10 5.702 4.602 -8.217 60 1HB SER 10 1HB SER 10 5.734 3.504 -5.408 61 2HB SER 10 2HB SER 10 5.583 5.174 -5.936 62 HG SER 10 HG SER 10 3.547 4.524 -5.376 63 H GLY 11 H GLY 11 7.064 2.031 -6.124 64 1HA GLY 11 1HA GLY 11 9.214 1.115 -6.274 65 2HA GLY 11 2HA GLY 11 9.639 2.359 -7.437 66 H GLY 12 H GLY 12 10.376 4.382 -6.694 67 1HA GLY 12 1HA GLY 12 11.842 4.244 -4.250 68 2HA GLY 12 2HA GLY 12 11.744 5.627 -5.327 69 H ALA 13 H ALA 13 8.626 5.170 -4.848 70 HA ALA 13 HA ALA 13 8.497 7.179 -2.774 71 1HB ALA 13 1HB ALA 13 6.718 6.145 -4.838 72 2HB ALA 13 2HB ALA 13 5.898 6.462 -3.310 73 3HB ALA 13 3HB ALA 13 6.801 7.749 -4.111 74 HA PRO 14 HA PRO 14 7.582 4.281 0.461 75 1HB PRO 14 1HB PRO 14 7.088 6.043 2.424 76 2HB PRO 14 2HB PRO 14 8.707 5.826 1.752 77 1HG PRO 14 1HG PRO 14 6.785 8.042 1.366 78 2HG PRO 14 2HG PRO 14 8.552 8.061 1.292 79 1HD PRO 14 1HD PRO 14 6.732 7.965 -0.887 80 2HD PRO 14 2HD PRO 14 8.499 7.831 -0.955 81 H CYS 15 H CYS 15 5.874 3.616 1.905 82 HA CYS 15 HA CYS 15 3.260 4.077 0.774 83 1HB CYS 15 1HB CYS 15 4.166 2.384 3.116 84 2HB CYS 15 2HB CYS 15 2.513 2.433 2.511 85 H VAL 16 H VAL 16 1.658 5.330 1.593 86 HA VAL 16 HA VAL 16 2.303 6.901 3.996 87 HB VAL 16 HB VAL 16 0.273 7.498 1.833 88 1HG1 VAL 16 1HG1 VAL 16 1.231 9.170 4.152 89 2HG1 VAL 16 2HG1 VAL 16 0.194 9.744 2.847 90 3HG1 VAL 16 3HG1 VAL 16 -0.382 8.486 3.945 91 1HG2 VAL 16 1HG2 VAL 16 2.681 7.612 1.134 92 2HG2 VAL 16 2HG2 VAL 16 1.782 9.123 0.984 93 3HG2 VAL 16 3HG2 VAL 16 2.891 8.889 2.333 94 H PHE 17 H PHE 17 1.342 6.205 5.817 95 HA PHE 17 HA PHE 17 -1.302 4.963 5.597 96 1HB PHE 17 1HB PHE 17 0.740 4.787 7.810 97 2HB PHE 17 2HB PHE 17 -0.827 4.008 7.813 98 HD1 PHE 17 1HD PHE 17 2.524 3.995 6.433 99 HD2 PHE 17 2HD PHE 17 -1.253 2.050 6.459 100 HE1 PHE 17 1HE PHE 17 3.544 2.036 5.356 101 HE2 PHE 17 2HE PHE 17 -0.254 0.079 5.391 102 HZ PHE 17 HZ PHE 17 2.161 0.045 4.823 103 HA PRO 18 HA PRO 18 -2.824 4.396 6.909 104 1HB PRO 18 1HB PRO 18 -5.442 5.429 7.270 105 2HB PRO 18 2HB PRO 18 -4.523 4.437 8.401 106 1HG PRO 18 1HG PRO 18 -5.261 7.100 8.801 107 2HG PRO 18 2HG PRO 18 -4.006 6.228 9.700 108 1HD PRO 18 1HD PRO 18 -3.732 8.152 7.426 109 2HD PRO 18 2HD PRO 18 -2.670 7.897 8.828 110 H PHE 19 H PHE 19 -3.303 3.725 4.880 111 HA PHE 19 HA PHE 19 -4.319 5.769 3.033 112 1HB PHE 19 1HB PHE 19 -3.549 4.401 1.195 113 2HB PHE 19 2HB PHE 19 -2.223 4.694 2.309 114 HD1 PHE 19 1HD PHE 19 -1.669 2.814 3.974 115 HD2 PHE 19 2HD PHE 19 -4.059 2.260 0.504 116 HE1 PHE 19 1HE PHE 19 -1.223 0.397 4.058 117 HE2 PHE 19 2HE PHE 19 -3.622 -0.160 0.573 118 HZ PHE 19 HZ PHE 19 -2.205 -1.096 2.354 119 H THR 20 H THR 20 -6.309 5.650 2.311 120 HA THR 20 HA THR 20 -7.909 3.395 3.198 121 HB THR 20 HB THR 20 -8.700 6.015 1.890 122 HG1 THR 20 1HG THR 20 -7.905 6.369 3.949 123 1HG2 THR 20 1HG2 THR 20 -10.569 4.284 3.448 124 2HG2 THR 20 2HG2 THR 20 -10.926 5.579 2.302 125 3HG2 THR 20 3HG2 THR 20 -10.336 4.024 1.719 126 H PHE 21 H PHE 21 -8.499 1.798 2.021 127 HA PHE 21 HA PHE 21 -8.535 2.029 -0.921 128 1HB PHE 21 1HB PHE 21 -6.642 0.594 0.132 129 2HB PHE 21 2HB PHE 21 -7.921 -0.506 0.587 130 HD1 PHE 21 1HD PHE 21 -8.339 1.196 -2.608 131 HD2 PHE 21 2HD PHE 21 -6.758 -2.226 -0.649 132 HE1 PHE 21 1HE PHE 21 -8.111 0.042 -4.766 133 HE2 PHE 21 2HE PHE 21 -6.545 -3.385 -2.787 134 HZ PHE 21 HZ PHE 21 -7.212 -2.242 -4.874 135 H LEU 22 H LEU 22 -10.314 1.069 -1.873 136 HA LEU 22 HA LEU 22 -12.515 0.694 -2.062 137 1HB LEU 22 1HB LEU 22 -11.398 -1.487 -0.408 138 2HB LEU 22 2HB LEU 22 -12.945 -1.622 -1.227 139 HG LEU 22 HG LEU 22 -11.807 -2.395 -2.985 140 1HD1 LEU 22 1HD1 LEU 22 -11.398 0.295 -3.245 141 2HD1 LEU 22 2HD1 LEU 22 -9.856 -0.485 -3.604 142 3HD1 LEU 22 3HD1 LEU 22 -11.305 -0.944 -4.497 143 1HD2 LEU 22 1HD2 LEU 22 -10.172 -2.948 -1.134 144 2HD2 LEU 22 2HD2 LEU 22 -9.725 -3.173 -2.826 145 3HD2 LEU 22 3HD2 LEU 22 -9.171 -1.747 -1.949 146 H GLY 23 H GLY 23 -11.963 2.469 0.188 147 1HA GLY 23 1HA GLY 23 -13.579 3.523 1.539 148 2HA GLY 23 2HA GLY 23 -14.458 2.012 1.630 149 H ASN 24 H ASN 24 -11.504 0.903 2.367 150 HA ASN 24 HA ASN 24 -11.966 1.398 5.228 151 1HB ASN 24 1HB ASN 24 -10.482 -0.803 3.798 152 2HB ASN 24 2HB ASN 24 -10.646 -0.673 5.545 153 1HD2 ASN 24 1HD2 ASN 24 -13.489 -2.377 3.341 154 2HD2 ASN 24 2HD2 ASN 24 -11.935 -1.915 2.743 155 H LYS 25 H LYS 25 -10.423 2.284 6.520 156 HA LYS 25 HA LYS 25 -8.158 3.533 5.306 157 1HB LYS 25 1HB LYS 25 -8.951 3.286 8.211 158 2HB LYS 25 2HB LYS 25 -7.861 4.452 7.513 159 1HG LYS 25 1HG LYS 25 -9.621 5.566 6.370 160 2HG LYS 25 2HG LYS 25 -10.762 4.289 6.802 161 1HD LYS 25 1HD LYS 25 -10.502 4.853 9.165 162 2HD LYS 25 2HD LYS 25 -9.368 6.138 8.736 163 1HE LYS 25 1HE LYS 25 -11.152 7.236 7.435 164 2HE LYS 25 2HE LYS 25 -12.274 5.968 7.936 165 1HZ LYS 25 1HZ LYS 25 -10.830 7.758 9.819 166 2HZ LYS 25 2HZ LYS 25 -12.421 8.019 9.283 167 3HZ LYS 25 3HZ LYS 25 -12.053 6.638 10.204 168 H TYR 26 H TYR 26 -6.219 2.503 5.049 169 HA TYR 26 HA TYR 26 -5.736 0.133 6.694 170 1HB TYR 26 1HB TYR 26 -4.500 1.008 4.084 171 2HB TYR 26 2HB TYR 26 -4.062 -0.450 4.964 172 HD1 TYR 26 1HD TYR 26 -7.339 -0.451 5.678 173 HD2 TYR 26 2HD TYR 26 -4.860 -0.741 2.242 174 HE1 TYR 26 1HE TYR 26 -9.107 -1.675 4.511 175 HE2 TYR 26 2HE TYR 26 -6.621 -1.974 1.069 176 HH TYR 26 HH TYR 26 -8.817 -3.558 2.197 177 H GLU 27 H GLU 27 -4.642 0.475 8.377 178 HA GLU 27 HA GLU 27 -2.683 2.606 8.601 179 1HB GLU 27 1HB GLU 27 -3.746 0.608 10.595 180 2HB GLU 27 2HB GLU 27 -2.675 1.933 10.973 181 1HG GLU 27 1HG GLU 27 -4.323 3.547 10.505 182 2HG GLU 27 2HG GLU 27 -5.360 2.358 9.720 183 H SER 28 H SER 28 -2.804 -0.722 7.987 184 HA SER 28 HA SER 28 0.108 -0.886 8.174 185 1HB SER 28 1HB SER 28 -0.287 -3.366 8.625 186 2HB SER 28 2HB SER 28 -0.642 -2.282 9.961 187 HG SER 28 HG SER 28 -2.830 -2.484 9.525 188 H CYS 29 H CYS 29 0.717 -2.988 6.735 189 HA CYS 29 HA CYS 29 -0.129 -2.310 4.129 190 1HB CYS 29 1HB CYS 29 1.248 -4.838 5.036 191 2HB CYS 29 2HB CYS 29 1.096 -4.289 3.384 192 H THR 30 H THR 30 -1.141 -3.788 2.628 193 HA THR 30 HA THR 30 -3.160 -5.543 3.857 194 HB THR 30 HB THR 30 -4.202 -3.305 3.419 195 HG1 THR 30 1HG THR 30 -5.656 -4.873 3.242 196 1HG2 THR 30 1HG2 THR 30 -4.459 -3.450 0.606 197 2HG2 THR 30 2HG2 THR 30 -3.749 -2.166 1.581 198 3HG2 THR 30 3HG2 THR 30 -2.737 -3.484 0.992 199 H SER 31 H SER 31 -4.339 -6.754 2.044 200 HA SER 31 HA SER 31 -2.494 -7.335 -0.170 201 1HB SER 31 1HB SER 31 -3.273 -9.734 -0.008 202 2HB SER 31 2HB SER 31 -2.280 -9.184 1.354 203 HG SER 31 HG SER 31 -3.889 -9.674 2.602 204 H ALA 32 H ALA 32 -4.935 -5.708 0.456 205 HA ALA 32 HA ALA 32 -7.199 -6.669 -0.879 206 1HB ALA 32 1HB ALA 32 -6.271 -4.103 0.213 207 2HB ALA 32 2HB ALA 32 -7.339 -3.931 -1.180 208 3HB ALA 32 3HB ALA 32 -7.882 -4.820 0.241 209 H GLY 33 H GLY 33 -8.002 -6.370 -2.915 210 1HA GLY 33 1HA GLY 33 -7.979 -5.757 -5.153 211 2HA GLY 33 2HA GLY 33 -6.439 -4.952 -4.891 212 H ARG 34 H ARG 34 -5.583 -7.688 -3.573 213 HA ARG 34 HA ARG 34 -4.798 -8.827 -6.159 214 1HB ARG 34 1HB ARG 34 -3.578 -9.776 -3.613 215 2HB ARG 34 2HB ARG 34 -2.914 -9.664 -5.210 216 1HG ARG 34 1HG ARG 34 -2.658 -7.279 -4.978 217 2HG ARG 34 2HG ARG 34 -3.392 -7.362 -3.366 218 1HD ARG 34 1HD ARG 34 -0.914 -7.358 -3.280 219 2HD ARG 34 2HD ARG 34 -1.589 -8.818 -2.600 220 HE ARG 34 HE ARG 34 -0.047 -8.539 -4.991 221 1HH1 ARG 34 1HH1 ARG 34 -1.851 -10.606 -2.938 222 2HH1 ARG 34 2HH1 ARG 34 -1.367 -12.032 -3.797 223 1HH2 ARG 34 1HH2 ARG 34 0.584 -10.247 -6.121 224 2HH2 ARG 34 2HH2 ARG 34 0.033 -11.834 -5.657 225 H SER 35 H SER 35 -4.124 -11.408 -5.376 226 HA SER 35 HA SER 35 -6.575 -12.536 -4.271 227 1HB SER 35 1HB SER 35 -6.660 -14.141 -6.230 228 2HB SER 35 2HB SER 35 -7.138 -12.477 -6.564 229 HG SER 35 HG SER 35 -5.490 -13.708 -7.981 230 H ASP 36 H ASP 36 -3.132 -12.988 -5.006 231 HA ASP 36 HA ASP 36 -3.351 -15.674 -3.985 232 1HB ASP 36 1HB ASP 36 -0.846 -15.750 -4.484 233 2HB ASP 36 2HB ASP 36 -1.972 -15.755 -5.820 234 H GLY 37 H GLY 37 -0.581 -13.659 -3.321 235 1HA GLY 37 1HA GLY 37 -1.303 -13.762 -0.522 236 2HA GLY 37 2HA GLY 37 0.125 -14.629 -0.989 237 H LYS 38 H LYS 38 0.662 -11.927 -2.863 238 HA LYS 38 HA LYS 38 2.399 -10.915 -0.882 239 1HB LYS 38 1HB LYS 38 1.511 -9.803 -3.539 240 2HB LYS 38 2HB LYS 38 2.817 -9.136 -2.567 241 1HG LYS 38 1HG LYS 38 3.885 -10.458 -4.119 242 2HG LYS 38 2HG LYS 38 3.855 -11.453 -2.679 243 1HD LYS 38 1HD LYS 38 2.023 -12.737 -3.578 244 2HD LYS 38 2HD LYS 38 1.930 -11.677 -4.986 245 1HE LYS 38 1HE LYS 38 4.288 -12.337 -5.527 246 2HE LYS 38 2HE LYS 38 4.181 -13.535 -4.239 247 1HZ LYS 38 1HZ LYS 38 2.435 -13.426 -6.644 248 2HZ LYS 38 2HZ LYS 38 3.721 -14.515 -6.392 249 3HZ LYS 38 3HZ LYS 38 2.341 -14.587 -5.400 250 H MET 39 H MET 39 2.416 -8.857 0.074 251 HA MET 39 HA MET 39 -0.217 -7.595 0.272 252 1HB MET 39 1HB MET 39 1.897 -7.838 2.425 253 2HB MET 39 2HB MET 39 0.387 -6.961 2.556 254 1HG MET 39 1HG MET 39 -0.845 -9.066 2.240 255 2HG MET 39 2HG MET 39 0.696 -9.924 2.233 256 1HE MET 39 1HE MET 39 -0.765 -11.300 3.940 257 2HE MET 39 2HE MET 39 -0.848 -10.918 5.661 258 3HE MET 39 3HE MET 39 -2.001 -10.192 4.541 259 H TRP 40 H TRP 40 -0.211 -5.326 0.324 260 HA TRP 40 HA TRP 40 2.350 -4.005 -0.267 261 1HB TRP 40 1HB TRP 40 1.219 -2.729 -2.062 262 2HB TRP 40 2HB TRP 40 1.257 -4.454 -2.410 263 HD1 TRP 40 HD1 TRP 40 -1.165 -5.788 -1.790 264 HE1 TRP 40 1HE TRP 40 -3.572 -4.927 -2.080 265 HE3 TRP 40 3HE TRP 40 -0.197 -0.805 -2.139 266 HZ2 TRP 40 2HZ TRP 40 -4.876 -2.457 -2.387 267 HZ3 TRP 40 3HZ TRP 40 -2.082 0.751 -2.405 268 HH2 TRP 40 HH2 TRP 40 -4.375 -0.065 -2.534 269 H CYS 41 H CYS 41 1.488 -1.532 -0.759 270 HA CYS 41 HA CYS 41 -0.466 -0.557 1.061 271 1HB CYS 41 1HB CYS 41 1.304 0.937 2.262 272 2HB CYS 41 2HB CYS 41 1.038 -0.707 2.828 273 H ALA 42 H ALA 42 -1.106 1.498 0.493 274 HA ALA 42 HA ALA 42 -0.276 2.380 -2.078 275 1HB ALA 42 1HB ALA 42 -2.247 3.278 -0.076 276 2HB ALA 42 2HB ALA 42 -1.655 4.501 -1.200 277 3HB ALA 42 3HB ALA 42 -2.423 3.035 -1.815 278 H THR 43 H THR 43 0.791 4.285 -2.657 279 HA THR 43 HA THR 43 2.699 5.176 -0.638 280 HB THR 43 HB THR 43 3.947 6.072 -2.564 281 HG1 THR 43 1HG THR 43 2.523 6.595 -4.105 282 1HG2 THR 43 1HG2 THR 43 3.722 3.635 -3.859 283 2HG2 THR 43 2HG2 THR 43 4.813 4.013 -2.523 284 3HG2 THR 43 3HG2 THR 43 3.240 3.285 -2.201 285 H THR 44 H THR 44 -0.221 5.956 -1.117 286 HA THR 44 HA THR 44 0.180 8.823 -0.725 287 HB THR 44 HB THR 44 -1.920 9.228 -2.053 288 HG1 THR 44 1HG THR 44 -2.969 7.556 -2.726 289 1HG2 THR 44 1HG2 THR 44 -0.218 7.985 -4.078 290 2HG2 THR 44 2HG2 THR 44 -0.761 9.655 -3.911 291 3HG2 THR 44 3HG2 THR 44 0.628 9.083 -2.985 292 H ALA 45 H ALA 45 -1.703 9.810 0.414 293 HA ALA 45 HA ALA 45 -2.484 8.257 2.636 294 1HB ALA 45 1HB ALA 45 -2.391 10.901 2.177 295 2HB ALA 45 2HB ALA 45 -4.124 10.628 1.994 296 3HB ALA 45 3HB ALA 45 -3.313 10.176 3.493 297 H ASN 46 H ASN 46 -4.067 8.937 -0.416 298 HA ASN 46 HA ASN 46 -6.187 7.059 0.363 299 1HB ASN 46 1HB ASN 46 -7.039 9.430 0.250 300 2HB ASN 46 2HB ASN 46 -6.617 9.442 -1.460 301 1HD2 ASN 46 1HD2 ASN 46 -10.110 8.019 -0.275 302 2HD2 ASN 46 2HD2 ASN 46 -9.038 8.940 0.713 303 H TYR 47 H TYR 47 -5.959 5.296 -0.806 304 HA TYR 47 HA TYR 47 -4.385 5.315 -3.209 305 1HB TYR 47 1HB TYR 47 -4.238 3.471 -1.571 306 2HB TYR 47 2HB TYR 47 -5.901 3.031 -1.947 307 HD1 TYR 47 1HD TYR 47 -2.637 3.605 -3.673 308 HD2 TYR 47 2HD TYR 47 -6.275 1.418 -3.541 309 HE1 TYR 47 1HE TYR 47 -1.866 2.218 -5.545 310 HE2 TYR 47 2HE TYR 47 -5.512 0.028 -5.408 311 HH TYR 47 HH TYR 47 -2.473 -0.253 -6.370 312 H ASP 48 H ASP 48 -7.813 5.097 -2.462 313 HA ASP 48 HA ASP 48 -8.746 4.029 -4.840 314 1HB ASP 48 1HB ASP 48 -9.956 5.876 -2.824 315 2HB ASP 48 2HB ASP 48 -10.830 5.492 -4.303 316 H ASP 49 H ASP 49 -7.776 7.313 -4.119 317 HA ASP 49 HA ASP 49 -8.715 8.271 -6.688 318 1HB ASP 49 1HB ASP 49 -7.541 9.572 -4.263 319 2HB ASP 49 2HB ASP 49 -7.520 10.429 -5.796 320 H ASP 50 H ASP 50 -5.581 8.455 -5.007 321 HA ASP 50 HA ASP 50 -4.144 9.127 -7.342 322 1HB ASP 50 1HB ASP 50 -3.422 8.395 -4.550 323 2HB ASP 50 2HB ASP 50 -2.160 8.342 -5.776 324 H ARG 51 H ARG 51 -5.020 6.036 -6.043 325 HA ARG 51 HA ARG 51 -4.377 3.922 -6.489 326 1HB ARG 51 1HB ARG 51 -4.729 5.069 -9.233 327 2HB ARG 51 2HB ARG 51 -4.721 3.346 -8.859 328 1HG ARG 51 1HG ARG 51 -6.454 4.439 -7.024 329 2HG ARG 51 2HG ARG 51 -6.828 5.287 -8.533 330 1HD ARG 51 1HD ARG 51 -6.694 2.310 -8.144 331 2HD ARG 51 2HD ARG 51 -8.171 3.273 -8.203 332 HE ARG 51 HE ARG 51 -6.661 3.712 -10.547 333 1HH1 ARG 51 1HH1 ARG 51 -8.555 1.232 -8.988 334 2HH1 ARG 51 2HH1 ARG 51 -9.049 0.484 -10.473 335 1HH2 ARG 51 1HH2 ARG 51 -7.233 2.697 -12.504 336 2HH2 ARG 51 2HH2 ARG 51 -8.286 1.310 -12.478 337 H LYS 52 H LYS 52 -2.117 5.041 -5.741 338 HA LYS 52 HA LYS 52 -0.158 3.842 -7.563 339 1HB LYS 52 1HB LYS 52 0.083 6.349 -5.895 340 2HB LYS 52 2HB LYS 52 1.509 5.453 -6.395 341 1HG LYS 52 1HG LYS 52 0.952 5.779 -8.727 342 2HG LYS 52 2HG LYS 52 -0.552 6.584 -8.277 343 1HD LYS 52 1HD LYS 52 2.129 7.595 -7.381 344 2HD LYS 52 2HD LYS 52 1.423 8.066 -8.929 345 1HE LYS 52 1HE LYS 52 0.181 8.467 -6.205 346 2HE LYS 52 2HE LYS 52 0.939 9.717 -7.194 347 1HZ LYS 52 1HZ LYS 52 -1.484 8.154 -7.939 348 2HZ LYS 52 2HZ LYS 52 -1.477 9.764 -7.400 349 3HZ LYS 52 3HZ LYS 52 -0.759 9.359 -8.883 350 H TRP 53 H TRP 53 0.727 2.095 -6.721 351 HA TRP 53 HA TRP 53 0.775 1.840 -3.801 352 1HB TRP 53 1HB TRP 53 -0.082 -0.406 -3.997 353 2HB TRP 53 2HB TRP 53 -1.183 0.725 -4.714 354 HD1 TRP 53 HD1 TRP 53 -0.731 0.917 -7.619 355 HE1 TRP 53 1HE TRP 53 -0.463 -1.106 -9.193 356 HE3 TRP 53 3HE TRP 53 0.529 -2.471 -4.158 357 HZ2 TRP 53 2HZ TRP 53 0.206 -3.877 -8.940 358 HZ3 TRP 53 3HZ TRP 53 0.977 -4.825 -4.842 359 HH2 TRP 53 HH2 TRP 53 0.817 -5.501 -7.187 360 H GLY 54 H GLY 54 1.851 -0.185 -3.130 361 1HA GLY 54 1HA GLY 54 3.931 -1.326 -4.707 362 2HA GLY 54 2HA GLY 54 4.563 -0.148 -3.560 363 H PHE 55 H PHE 55 4.688 -3.170 -3.748 364 HA PHE 55 HA PHE 55 3.210 -4.383 -1.748 365 1HB PHE 55 1HB PHE 55 5.924 -4.984 -2.908 366 2HB PHE 55 2HB PHE 55 5.196 -6.001 -1.683 367 HD1 PHE 55 1HD PHE 55 2.337 -5.649 -2.720 368 HD2 PHE 55 2HD PHE 55 5.991 -6.636 -4.663 369 HE1 PHE 55 1HE PHE 55 1.077 -6.923 -4.402 370 HE2 PHE 55 2HE PHE 55 4.735 -7.912 -6.360 371 HZ PHE 55 HZ PHE 55 2.280 -8.047 -6.236 372 H CYS 56 H CYS 56 3.793 -5.063 0.340 373 HA CYS 56 HA CYS 56 4.679 -3.046 2.060 374 1HB CYS 56 1HB CYS 56 3.246 -5.188 2.500 375 2HB CYS 56 2HB CYS 56 4.798 -5.959 2.800 376 HA PRO 57 HA PRO 57 9.067 -3.485 1.633 377 1HB PRO 57 1HB PRO 57 9.894 -1.919 3.601 378 2HB PRO 57 2HB PRO 57 9.096 -1.250 2.168 379 1HG PRO 57 1HG PRO 57 7.900 -2.006 4.792 380 2HG PRO 57 2HG PRO 57 7.765 -0.449 3.955 381 1HD PRO 57 1HD PRO 57 5.828 -2.280 3.784 382 2HD PRO 57 2HD PRO 57 6.294 -1.331 2.354 383 H ASP 58 H ASP 58 7.308 -4.896 3.788 384 HA ASP 58 HA ASP 58 9.557 -6.349 4.974 385 1HB ASP 58 1HB ASP 58 8.530 -4.720 6.630 386 2HB ASP 58 2HB ASP 58 7.064 -5.697 6.545 387 H GLN 59 H GLN 59 9.406 -8.240 3.963 388 HA GLN 59 HA GLN 59 6.800 -9.616 4.012 389 1HB GLN 59 1HB GLN 59 8.888 -9.762 1.827 390 2HB GLN 59 2HB GLN 59 7.408 -10.708 1.881 391 1HG GLN 59 1HG GLN 59 6.113 -8.616 1.770 392 2HG GLN 59 2HG GLN 59 7.623 -7.717 1.634 393 1HE2 GLN 59 1HE2 GLN 59 5.886 -9.099 -1.633 394 2HE2 GLN 59 2HE2 GLN 59 5.125 -8.930 -0.090 395 H GLY 60 H GLY 60 8.462 -9.888 6.115 396 1HA GLY 60 1HA GLY 60 9.682 -12.545 5.681 397 2HA GLY 60 2HA GLY 60 10.353 -11.353 6.784 Start of MODEL 14 1 H SER 1 1H SER 1 14.061 9.829 1.205 2 HA SER 1 HA SER 1 12.939 10.234 3.892 3 1HB SER 1 1HB SER 1 11.431 10.098 1.871 4 2HB SER 1 2HB SER 1 12.064 8.479 1.577 5 HG SER 1 HG SER 1 10.419 9.408 3.669 6 H TRP 2 H TRP 2 12.430 7.978 4.832 7 HA TRP 2 HA TRP 2 14.858 6.663 5.404 8 1HB TRP 2 1HB TRP 2 13.027 6.784 7.008 9 2HB TRP 2 2HB TRP 2 11.989 5.848 5.940 10 HD1 TRP 2 HD1 TRP 2 15.553 5.147 7.321 11 HE1 TRP 2 1HE TRP 2 15.532 2.795 8.363 12 HE3 TRP 2 3HE TRP 2 10.643 3.964 6.537 13 HZ2 TRP 2 2HZ TRP 2 13.678 0.711 8.787 14 HZ3 TRP 2 3HZ TRP 2 9.822 1.769 7.288 15 HH2 TRP 2 HH2 TRP 2 11.315 0.177 8.392 16 H MET 3 H MET 3 11.985 4.972 4.148 17 HA MET 3 HA MET 3 13.746 3.608 2.243 18 1HB MET 3 1HB MET 3 11.638 2.416 4.038 19 2HB MET 3 2HB MET 3 12.300 1.576 2.650 20 1HG MET 3 1HG MET 3 14.566 1.862 3.671 21 2HG MET 3 2HG MET 3 13.754 2.459 5.120 22 1HE MET 3 1HE MET 3 13.399 -0.040 2.444 23 2HE MET 3 2HE MET 3 14.063 -1.489 3.193 24 3HE MET 3 3HE MET 3 12.320 -1.226 3.187 25 H SER 4 H SER 4 12.165 2.166 0.798 26 HA SER 4 HA SER 4 9.937 3.866 -0.081 27 1HB SER 4 1HB SER 4 11.956 4.113 -1.576 28 2HB SER 4 2HB SER 4 11.826 2.395 -1.947 29 HG SER 4 HG SER 4 9.732 4.274 -2.370 30 H THR 5 H THR 5 8.880 2.260 -2.022 31 HA THR 5 HA THR 5 8.103 -0.115 -0.488 32 HB THR 5 HB THR 5 6.096 -0.082 -1.950 33 HG1 THR 5 1HG THR 5 7.457 1.379 -3.508 34 1HG2 THR 5 1HG2 THR 5 5.917 2.646 -1.086 35 2HG2 THR 5 2HG2 THR 5 5.034 1.223 -0.533 36 3HG2 THR 5 3HG2 THR 5 6.607 1.615 0.165 37 H VAL 6 H VAL 6 7.503 -2.019 -1.705 38 HA VAL 6 HA VAL 6 9.376 -2.599 -3.905 39 HB VAL 6 HB VAL 6 7.677 -4.803 -3.062 40 1HG1 VAL 6 1HG1 VAL 6 9.925 -4.724 -4.346 41 2HG1 VAL 6 2HG1 VAL 6 10.637 -4.749 -2.730 42 3HG1 VAL 6 3HG1 VAL 6 9.585 -6.066 -3.249 43 1HG2 VAL 6 1HG2 VAL 6 7.769 -3.586 -0.900 44 2HG2 VAL 6 2HG2 VAL 6 8.493 -5.195 -0.857 45 3HG2 VAL 6 3HG2 VAL 6 9.523 -3.767 -0.928 46 H GLY 7 H GLY 7 7.984 -4.559 -5.174 47 1HA GLY 7 1HA GLY 7 6.464 -4.705 -6.942 48 2HA GLY 7 2HA GLY 7 5.344 -4.429 -5.650 49 H GLY 8 H GLY 8 3.919 -3.101 -6.147 50 1HA GLY 8 1HA GLY 8 2.766 -1.405 -7.154 51 2HA GLY 8 2HA GLY 8 3.946 -0.476 -6.266 52 H ASN 9 H ASN 9 4.026 1.213 -7.576 53 HA ASN 9 HA ASN 9 5.677 1.039 -9.904 54 1HB ASN 9 1HB ASN 9 4.080 2.064 -11.476 55 2HB ASN 9 2HB ASN 9 3.579 0.464 -10.975 56 1HD2 ASN 9 1HD2 ASN 9 1.307 2.816 -8.780 57 2HD2 ASN 9 2HD2 ASN 9 2.941 2.374 -8.434 58 H SER 10 H SER 10 5.751 2.300 -7.345 59 HA SER 10 HA SER 10 5.166 5.078 -7.651 60 1HB SER 10 1HB SER 10 6.648 5.095 -5.495 61 2HB SER 10 2HB SER 10 5.038 4.386 -5.436 62 HG SER 10 HG SER 10 6.307 2.856 -4.550 63 H GLY 11 H GLY 11 8.173 3.206 -7.354 64 1HA GLY 11 1HA GLY 11 10.029 3.606 -8.850 65 2HA GLY 11 2HA GLY 11 9.527 5.289 -8.936 66 H GLY 12 H GLY 12 9.107 5.828 -6.268 67 1HA GLY 12 1HA GLY 12 11.312 5.073 -4.622 68 2HA GLY 12 2HA GLY 12 11.583 6.645 -5.362 69 H ALA 13 H ALA 13 8.525 5.246 -4.282 70 HA ALA 13 HA ALA 13 8.288 7.445 -2.332 71 1HB ALA 13 1HB ALA 13 6.751 7.291 -4.452 72 2HB ALA 13 2HB ALA 13 5.903 6.076 -3.496 73 3HB ALA 13 3HB ALA 13 6.063 7.724 -2.886 74 HA PRO 14 HA PRO 14 7.631 4.156 0.616 75 1HB PRO 14 1HB PRO 14 7.200 5.650 2.777 76 2HB PRO 14 2HB PRO 14 8.766 5.675 1.965 77 1HG PRO 14 1HG PRO 14 6.584 7.696 1.929 78 2HG PRO 14 2HG PRO 14 8.338 7.934 1.833 79 1HD PRO 14 1HD PRO 14 6.495 7.890 -0.321 80 2HD PRO 14 2HD PRO 14 8.266 7.909 -0.430 81 H CYS 15 H CYS 15 5.970 3.582 2.396 82 HA CYS 15 HA CYS 15 3.342 3.707 1.200 83 1HB CYS 15 1HB CYS 15 3.890 2.651 3.973 84 2HB CYS 15 2HB CYS 15 2.674 2.130 2.818 85 H VAL 16 H VAL 16 1.823 5.221 1.647 86 HA VAL 16 HA VAL 16 2.307 7.047 3.887 87 HB VAL 16 HB VAL 16 0.312 7.268 1.615 88 1HG1 VAL 16 1HG1 VAL 16 0.358 8.578 4.116 89 2HG1 VAL 16 2HG1 VAL 16 0.888 9.748 2.907 90 3HG1 VAL 16 3HG1 VAL 16 -0.663 8.930 2.721 91 1HG2 VAL 16 1HG2 VAL 16 3.091 7.796 1.711 92 2HG2 VAL 16 2HG2 VAL 16 1.956 8.131 0.401 93 3HG2 VAL 16 3HG2 VAL 16 2.255 9.344 1.650 94 H PHE 17 H PHE 17 1.489 6.304 5.751 95 HA PHE 17 HA PHE 17 -1.128 4.987 5.715 96 1HB PHE 17 1HB PHE 17 1.086 5.029 7.769 97 2HB PHE 17 2HB PHE 17 -0.487 4.317 8.059 98 HD1 PHE 17 1HD PHE 17 -0.191 3.568 4.813 99 HD2 PHE 17 2HD PHE 17 1.741 2.653 8.480 100 HE1 PHE 17 1HE PHE 17 0.617 1.461 3.856 101 HE2 PHE 17 2HE PHE 17 2.573 0.543 7.533 102 HZ PHE 17 HZ PHE 17 2.023 -0.078 5.197 103 HA PRO 18 HA PRO 18 -2.689 4.552 6.839 104 1HB PRO 18 1HB PRO 18 -5.309 5.538 7.179 105 2HB PRO 18 2HB PRO 18 -4.362 4.631 8.358 106 1HG PRO 18 1HG PRO 18 -5.171 7.306 8.599 107 2HG PRO 18 2HG PRO 18 -3.943 6.492 9.583 108 1HD PRO 18 1HD PRO 18 -3.595 8.301 7.231 109 2HD PRO 18 2HD PRO 18 -2.580 8.116 8.676 110 H PHE 19 H PHE 19 -3.154 3.856 4.838 111 HA PHE 19 HA PHE 19 -4.135 5.862 2.921 112 1HB PHE 19 1HB PHE 19 -3.397 4.405 1.140 113 2HB PHE 19 2HB PHE 19 -2.070 4.708 2.251 114 HD1 PHE 19 1HD PHE 19 -1.669 2.860 4.051 115 HD2 PHE 19 2HD PHE 19 -3.869 2.261 0.460 116 HE1 PHE 19 1HE PHE 19 -1.239 0.436 4.181 117 HE2 PHE 19 2HE PHE 19 -3.440 -0.146 0.585 118 HZ PHE 19 HZ PHE 19 -2.116 -1.067 2.449 119 H THR 20 H THR 20 -6.117 5.713 2.082 120 HA THR 20 HA THR 20 -7.755 3.505 3.068 121 HB THR 20 HB THR 20 -8.603 6.091 1.723 122 HG1 THR 20 1HG THR 20 -7.810 6.765 3.594 123 1HG2 THR 20 1HG2 THR 20 -10.701 5.522 3.186 124 2HG2 THR 20 2HG2 THR 20 -10.516 4.875 1.557 125 3HG2 THR 20 3HG2 THR 20 -10.137 3.866 2.957 126 H PHE 21 H PHE 21 -8.333 1.915 1.894 127 HA PHE 21 HA PHE 21 -8.447 2.159 -1.051 128 1HB PHE 21 1HB PHE 21 -6.471 0.814 -0.097 129 2HB PHE 21 2HB PHE 21 -7.673 -0.306 0.481 130 HD1 PHE 21 1HD PHE 21 -7.486 1.405 -2.839 131 HD2 PHE 21 2HD PHE 21 -7.409 -2.240 -0.662 132 HE1 PHE 21 1HE PHE 21 -7.301 0.156 -4.931 133 HE2 PHE 21 2HE PHE 21 -7.219 -3.495 -2.747 134 HZ PHE 21 HZ PHE 21 -7.153 -2.302 -4.907 135 H LEU 22 H LEU 22 -10.184 1.145 -1.981 136 HA LEU 22 HA LEU 22 -12.289 0.404 -2.160 137 1HB LEU 22 1HB LEU 22 -10.693 -1.448 -0.529 138 2HB LEU 22 2HB LEU 22 -12.365 -1.862 -0.853 139 HG LEU 22 HG LEU 22 -11.908 -2.032 -3.150 140 1HD1 LEU 22 1HD1 LEU 22 -10.713 -0.054 -3.484 141 2HD1 LEU 22 2HD1 LEU 22 -9.292 -0.833 -2.783 142 3HD1 LEU 22 3HD1 LEU 22 -9.977 -1.443 -4.287 143 1HD2 LEU 22 1HD2 LEU 22 -10.905 -3.785 -1.538 144 2HD2 LEU 22 2HD2 LEU 22 -10.561 -3.856 -3.267 145 3HD2 LEU 22 3HD2 LEU 22 -9.386 -3.140 -2.164 146 H GLY 23 H GLY 23 -11.929 2.403 -0.070 147 1HA GLY 23 1HA GLY 23 -13.505 3.443 1.290 148 2HA GLY 23 2HA GLY 23 -14.420 1.948 1.340 149 H ASN 24 H ASN 24 -11.312 1.068 2.148 150 HA ASN 24 HA ASN 24 -11.930 1.410 5.008 151 1HB ASN 24 1HB ASN 24 -10.349 -0.767 3.642 152 2HB ASN 24 2HB ASN 24 -10.730 -0.685 5.353 153 1HD2 ASN 24 1HD2 ASN 24 -13.271 -2.351 2.814 154 2HD2 ASN 24 2HD2 ASN 24 -11.634 -1.952 2.453 155 H LYS 25 H LYS 25 -10.433 2.210 6.378 156 HA LYS 25 HA LYS 25 -8.149 3.573 5.348 157 1HB LYS 25 1HB LYS 25 -9.111 3.055 8.168 158 2HB LYS 25 2HB LYS 25 -7.889 4.204 7.698 159 1HG LYS 25 1HG LYS 25 -9.457 5.609 6.634 160 2HG LYS 25 2HG LYS 25 -10.704 4.361 6.697 161 1HD LYS 25 1HD LYS 25 -11.030 6.142 8.394 162 2HD LYS 25 2HD LYS 25 -10.844 4.531 9.091 163 1HE LYS 25 1HE LYS 25 -9.571 6.080 10.405 164 2HE LYS 25 2HE LYS 25 -8.448 5.049 9.522 165 1HZ LYS 25 1HZ LYS 25 -8.512 6.994 7.815 166 2HZ LYS 25 2HZ LYS 25 -9.055 7.905 9.140 167 3HZ LYS 25 3HZ LYS 25 -7.551 7.126 9.209 168 H TYR 26 H TYR 26 -6.086 2.687 5.191 169 HA TYR 26 HA TYR 26 -5.633 0.274 6.796 170 1HB TYR 26 1HB TYR 26 -4.292 1.055 4.212 171 2HB TYR 26 2HB TYR 26 -4.019 -0.419 5.126 172 HD1 TYR 26 1HD TYR 26 -7.086 -0.723 5.803 173 HD2 TYR 26 2HD TYR 26 -4.886 -0.135 2.227 174 HE1 TYR 26 1HE TYR 26 -8.846 -1.857 4.532 175 HE2 TYR 26 2HE TYR 26 -6.634 -1.258 0.955 176 HH TYR 26 HH TYR 26 -9.337 -1.588 1.457 177 H GLU 27 H GLU 27 -4.523 0.665 8.456 178 HA GLU 27 HA GLU 27 -2.578 2.823 8.572 179 1HB GLU 27 1HB GLU 27 -3.763 0.999 10.651 180 2HB GLU 27 2HB GLU 27 -2.596 2.250 10.995 181 1HG GLU 27 1HG GLU 27 -4.095 3.962 10.541 182 2HG GLU 27 2HG GLU 27 -5.136 2.908 9.580 183 H SER 28 H SER 28 -2.633 -0.370 7.820 184 HA SER 28 HA SER 28 0.232 -0.660 8.239 185 1HB SER 28 1HB SER 28 -0.306 -3.114 8.732 186 2HB SER 28 2HB SER 28 -0.658 -1.970 10.022 187 HG SER 28 HG SER 28 -2.416 -3.370 8.323 188 H CYS 29 H CYS 29 0.611 -3.053 6.934 189 HA CYS 29 HA CYS 29 -0.019 -2.363 4.240 190 1HB CYS 29 1HB CYS 29 1.080 -4.932 5.381 191 2HB CYS 29 2HB CYS 29 0.924 -4.593 3.674 192 H THR 30 H THR 30 -1.127 -3.879 2.811 193 HA THR 30 HA THR 30 -3.288 -5.393 4.073 194 HB THR 30 HB THR 30 -4.177 -3.094 3.609 195 HG1 THR 30 1HG THR 30 -5.732 -4.602 3.469 196 1HG2 THR 30 1HG2 THR 30 -4.622 -2.599 1.164 197 2HG2 THR 30 2HG2 THR 30 -2.983 -2.321 1.751 198 3HG2 THR 30 3HG2 THR 30 -3.344 -3.763 0.805 199 H SER 31 H SER 31 -4.517 -6.599 2.354 200 HA SER 31 HA SER 31 -2.733 -7.364 0.142 201 1HB SER 31 1HB SER 31 -3.754 -9.697 0.437 202 2HB SER 31 2HB SER 31 -2.617 -9.173 1.694 203 HG SER 31 HG SER 31 -4.928 -10.095 2.206 204 H ALA 32 H ALA 32 -5.111 -5.577 0.712 205 HA ALA 32 HA ALA 32 -7.421 -6.469 -0.589 206 1HB ALA 32 1HB ALA 32 -7.355 -4.459 0.836 207 2HB ALA 32 2HB ALA 32 -6.331 -3.654 -0.356 208 3HB ALA 32 3HB ALA 32 -7.992 -4.079 -0.765 209 H GLY 33 H GLY 33 -8.112 -6.458 -2.652 210 1HA GLY 33 1HA GLY 33 -8.080 -6.152 -4.942 211 2HA GLY 33 2HA GLY 33 -6.718 -5.054 -4.740 212 H ARG 34 H ARG 34 -5.667 -7.598 -3.098 213 HA ARG 34 HA ARG 34 -4.449 -8.821 -5.477 214 1HB ARG 34 1HB ARG 34 -3.384 -8.743 -2.649 215 2HB ARG 34 2HB ARG 34 -2.577 -9.407 -4.048 216 1HG ARG 34 1HG ARG 34 -2.893 -6.929 -4.945 217 2HG ARG 34 2HG ARG 34 -2.910 -6.596 -3.211 218 1HD ARG 34 1HD ARG 34 -0.644 -6.455 -4.143 219 2HD ARG 34 2HD ARG 34 -0.782 -7.747 -2.950 220 HE ARG 34 HE ARG 34 -0.348 -9.287 -4.579 221 1HH1 ARG 34 1HH1 ARG 34 -1.108 -6.204 -6.071 222 2HH1 ARG 34 2HH1 ARG 34 -0.732 -6.750 -7.676 223 1HH2 ARG 34 1HH2 ARG 34 0.169 -9.990 -6.673 224 2HH2 ARG 34 2HH2 ARG 34 0.058 -8.893 -8.013 225 H SER 35 H SER 35 -4.781 -9.796 -2.100 226 HA SER 35 HA SER 35 -5.488 -11.688 -1.088 227 1HB SER 35 1HB SER 35 -7.282 -11.975 -3.509 228 2HB SER 35 2HB SER 35 -7.492 -12.779 -1.950 229 HG SER 35 HG SER 35 -7.741 -10.690 -1.003 230 H ASP 36 H ASP 36 -3.353 -11.727 -3.276 231 HA ASP 36 HA ASP 36 -3.440 -14.514 -4.063 232 1HB ASP 36 1HB ASP 36 -1.396 -13.957 -5.365 233 2HB ASP 36 2HB ASP 36 -2.797 -13.022 -5.799 234 H GLY 37 H GLY 37 -1.250 -12.318 -2.501 235 1HA GLY 37 1HA GLY 37 -0.661 -13.914 -0.315 236 2HA GLY 37 2HA GLY 37 0.544 -14.279 -1.537 237 H LYS 38 H LYS 38 1.151 -11.894 -2.639 238 HA LYS 38 HA LYS 38 2.776 -10.712 -0.647 239 1HB LYS 38 1HB LYS 38 2.163 -9.390 -3.270 240 2HB LYS 38 2HB LYS 38 3.678 -9.419 -2.375 241 1HG LYS 38 1HG LYS 38 4.205 -10.877 -4.031 242 2HG LYS 38 2HG LYS 38 3.502 -12.013 -2.889 243 1HD LYS 38 1HD LYS 38 1.349 -11.824 -4.069 244 2HD LYS 38 2HD LYS 38 2.097 -10.728 -5.228 245 1HE LYS 38 1HE LYS 38 3.630 -12.488 -5.927 246 2HE LYS 38 2HE LYS 38 2.925 -13.583 -4.736 247 1HZ LYS 38 1HZ LYS 38 0.879 -12.508 -6.359 248 2HZ LYS 38 2HZ LYS 38 2.091 -13.160 -7.354 249 3HZ LYS 38 3HZ LYS 38 1.347 -14.134 -6.172 250 H MET 39 H MET 39 2.123 -9.297 0.865 251 HA MET 39 HA MET 39 -0.279 -7.741 0.431 252 1HB MET 39 1HB MET 39 1.633 -7.813 2.773 253 2HB MET 39 2HB MET 39 0.114 -6.936 2.722 254 1HG MET 39 1HG MET 39 -1.071 -9.086 2.409 255 2HG MET 39 2HG MET 39 0.471 -9.914 2.609 256 1HE MET 39 1HE MET 39 -1.469 -10.988 3.945 257 2HE MET 39 2HE MET 39 -0.871 -11.150 5.596 258 3HE MET 39 3HE MET 39 -2.318 -10.195 5.275 259 H TRP 40 H TRP 40 -0.290 -5.432 0.436 260 HA TRP 40 HA TRP 40 2.314 -4.215 -0.192 261 1HB TRP 40 1HB TRP 40 1.177 -2.883 -1.953 262 2HB TRP 40 2HB TRP 40 1.174 -4.611 -2.299 263 HD1 TRP 40 HD1 TRP 40 -1.324 -5.854 -1.535 264 HE1 TRP 40 1HE TRP 40 -3.692 -4.913 -1.855 265 HE3 TRP 40 3HE TRP 40 -0.172 -0.910 -2.190 266 HZ2 TRP 40 2HZ TRP 40 -4.914 -2.434 -2.288 267 HZ3 TRP 40 3HZ TRP 40 -2.017 0.681 -2.530 268 HH2 TRP 40 HH2 TRP 40 -4.339 -0.070 -2.586 269 H CYS 41 H CYS 41 1.654 -1.703 -0.646 270 HA CYS 41 HA CYS 41 -0.049 -0.585 1.415 271 1HB CYS 41 1HB CYS 41 1.791 0.777 2.381 272 2HB CYS 41 2HB CYS 41 2.055 -0.945 2.654 273 H ALA 42 H ALA 42 -0.724 1.517 0.780 274 HA ALA 42 HA ALA 42 -0.027 2.229 -1.933 275 1HB ALA 42 1HB ALA 42 -1.952 3.364 0.056 276 2HB ALA 42 2HB ALA 42 -1.551 4.238 -1.424 277 3HB ALA 42 3HB ALA 42 -2.273 2.631 -1.516 278 H THR 43 H THR 43 0.747 4.312 -2.553 279 HA THR 43 HA THR 43 2.617 5.387 -0.567 280 HB THR 43 HB THR 43 3.996 6.075 -2.472 281 HG1 THR 43 1HG THR 43 1.770 5.779 -3.852 282 1HG2 THR 43 1HG2 THR 43 3.689 3.437 -3.473 283 2HG2 THR 43 2HG2 THR 43 4.930 4.074 -2.390 284 3HG2 THR 43 3HG2 THR 43 3.436 3.410 -1.728 285 H THR 44 H THR 44 -0.260 5.991 -1.196 286 HA THR 44 HA THR 44 0.001 8.898 -1.169 287 HB THR 44 HB THR 44 -2.140 8.999 -2.556 288 HG1 THR 44 1HG THR 44 -2.967 7.204 -3.216 289 1HG2 THR 44 1HG2 THR 44 -0.145 7.779 -4.357 290 2HG2 THR 44 2HG2 THR 44 -1.043 9.290 -4.507 291 3HG2 THR 44 3HG2 THR 44 0.363 9.199 -3.444 292 H ALA 45 H ALA 45 -1.589 9.903 0.139 293 HA ALA 45 HA ALA 45 -2.490 8.506 2.361 294 1HB ALA 45 1HB ALA 45 -2.292 11.020 2.081 295 2HB ALA 45 2HB ALA 45 -3.881 10.963 1.312 296 3HB ALA 45 3HB ALA 45 -3.689 10.442 2.986 297 H ASN 46 H ASN 46 -4.289 9.360 -0.569 298 HA ASN 46 HA ASN 46 -6.273 7.342 0.219 299 1HB ASN 46 1HB ASN 46 -7.178 9.699 0.077 300 2HB ASN 46 2HB ASN 46 -6.782 9.674 -1.640 301 1HD2 ASN 46 1HD2 ASN 46 -10.184 8.127 -0.319 302 2HD2 ASN 46 2HD2 ASN 46 -9.102 9.052 0.654 303 H TYR 47 H TYR 47 -5.723 5.572 -0.837 304 HA TYR 47 HA TYR 47 -4.265 5.579 -3.272 305 1HB TYR 47 1HB TYR 47 -4.124 3.753 -1.606 306 2HB TYR 47 2HB TYR 47 -5.782 3.299 -1.995 307 HD1 TYR 47 1HD TYR 47 -2.394 3.641 -3.489 308 HD2 TYR 47 2HD TYR 47 -6.228 1.855 -3.762 309 HE1 TYR 47 1HE TYR 47 -1.593 2.188 -5.301 310 HE2 TYR 47 2HE TYR 47 -5.434 0.396 -5.566 311 HH TYR 47 HH TYR 47 -3.072 -0.516 -6.274 312 H ASP 48 H ASP 48 -7.659 4.844 -2.522 313 HA ASP 48 HA ASP 48 -8.594 3.921 -4.888 314 1HB ASP 48 1HB ASP 48 -9.863 5.732 -2.868 315 2HB ASP 48 2HB ASP 48 -10.746 5.234 -4.303 316 H ASP 49 H ASP 49 -7.803 7.284 -4.240 317 HA ASP 49 HA ASP 49 -8.919 8.138 -6.758 318 1HB ASP 49 1HB ASP 49 -7.465 9.595 -4.568 319 2HB ASP 49 2HB ASP 49 -7.920 10.365 -6.078 320 H ASP 50 H ASP 50 -5.658 8.490 -5.356 321 HA ASP 50 HA ASP 50 -4.498 9.055 -7.919 322 1HB ASP 50 1HB ASP 50 -3.224 8.656 -5.211 323 2HB ASP 50 2HB ASP 50 -2.367 9.203 -6.644 324 H ARG 51 H ARG 51 -4.987 6.167 -6.172 325 HA ARG 51 HA ARG 51 -4.011 4.147 -6.147 326 1HB ARG 51 1HB ARG 51 -5.027 4.737 -8.846 327 2HB ARG 51 2HB ARG 51 -4.289 3.165 -8.523 328 1HG ARG 51 1HG ARG 51 -5.825 2.661 -6.866 329 2HG ARG 51 2HG ARG 51 -6.334 4.332 -6.691 330 1HD ARG 51 1HD ARG 51 -6.799 2.703 -9.140 331 2HD ARG 51 2HD ARG 51 -7.936 2.818 -7.801 332 HE ARG 51 HE ARG 51 -8.353 5.065 -8.355 333 1HH1 ARG 51 1HH1 ARG 51 -6.110 3.546 -10.549 334 2HH1 ARG 51 2HH1 ARG 51 -6.234 4.783 -11.760 335 1HH2 ARG 51 1HH2 ARG 51 -8.566 6.700 -9.945 336 2HH2 ARG 51 2HH2 ARG 51 -7.629 6.596 -11.410 337 H LYS 52 H LYS 52 -1.897 5.101 -5.620 338 HA LYS 52 HA LYS 52 0.026 3.935 -7.481 339 1HB LYS 52 1HB LYS 52 0.366 6.505 -5.914 340 2HB LYS 52 2HB LYS 52 1.725 5.612 -6.591 341 1HG LYS 52 1HG LYS 52 0.851 5.893 -8.821 342 2HG LYS 52 2HG LYS 52 -0.588 6.696 -8.197 343 1HD LYS 52 1HD LYS 52 0.895 8.466 -7.250 344 2HD LYS 52 2HD LYS 52 2.258 7.684 -8.054 345 1HE LYS 52 1HE LYS 52 -0.179 8.882 -9.369 346 2HE LYS 52 2HE LYS 52 1.465 9.522 -9.407 347 1HZ LYS 52 1HZ LYS 52 2.128 7.432 -10.572 348 2HZ LYS 52 2HZ LYS 52 0.485 7.006 -10.669 349 3HZ LYS 52 3HZ LYS 52 1.042 8.403 -11.451 350 H TRP 53 H TRP 53 0.680 2.162 -6.584 351 HA TRP 53 HA TRP 53 0.799 1.995 -3.650 352 1HB TRP 53 1HB TRP 53 0.099 -0.306 -3.906 353 2HB TRP 53 2HB TRP 53 -1.022 0.749 -4.693 354 HD1 TRP 53 HD1 TRP 53 -0.539 0.934 -7.552 355 HE1 TRP 53 1HE TRP 53 0.064 -1.040 -9.110 356 HE3 TRP 53 3HE TRP 53 1.044 -2.257 -4.034 357 HZ2 TRP 53 2HZ TRP 53 1.109 -3.679 -8.816 358 HZ3 TRP 53 3HZ TRP 53 1.851 -4.513 -4.688 359 HH2 TRP 53 HH2 TRP 53 1.882 -5.196 -7.040 360 H GLY 54 H GLY 54 1.965 -0.012 -2.973 361 1HA GLY 54 1HA GLY 54 4.340 -0.788 -4.411 362 2HA GLY 54 2HA GLY 54 4.647 0.200 -2.976 363 H PHE 55 H PHE 55 5.516 -2.487 -3.091 364 HA PHE 55 HA PHE 55 3.541 -4.081 -1.697 365 1HB PHE 55 1HB PHE 55 6.243 -4.576 -2.852 366 2HB PHE 55 2HB PHE 55 5.667 -5.659 -1.600 367 HD1 PHE 55 1HD PHE 55 2.732 -5.472 -2.437 368 HD2 PHE 55 2HD PHE 55 6.313 -6.193 -4.609 369 HE1 PHE 55 1HE PHE 55 1.465 -6.826 -4.059 370 HE2 PHE 55 2HE PHE 55 5.057 -7.544 -6.237 371 HZ PHE 55 HZ PHE 55 2.634 -7.861 -5.965 372 H CYS 56 H CYS 56 4.152 -5.310 0.213 373 HA CYS 56 HA CYS 56 5.249 -3.607 2.308 374 1HB CYS 56 1HB CYS 56 3.130 -5.239 2.349 375 2HB CYS 56 2HB CYS 56 4.344 -6.453 2.709 376 HA PRO 57 HA PRO 57 9.238 -5.601 2.239 377 1HB PRO 57 1HB PRO 57 9.953 -5.988 4.775 378 2HB PRO 57 2HB PRO 57 9.780 -4.360 4.104 379 1HG PRO 57 1HG PRO 57 7.775 -5.995 5.562 380 2HG PRO 57 2HG PRO 57 8.343 -4.364 5.988 381 1HD PRO 57 1HD PRO 57 6.077 -4.644 4.642 382 2HD PRO 57 2HD PRO 57 7.243 -3.409 4.122 383 H ASP 58 H ASP 58 10.312 -7.437 4.075 384 HA ASP 58 HA ASP 58 9.301 -9.861 2.932 385 1HB ASP 58 1HB ASP 58 11.741 -9.333 3.494 386 2HB ASP 58 2HB ASP 58 11.315 -9.697 5.164 387 H GLN 59 H GLN 59 7.643 -10.981 3.669 388 HA GLN 59 HA GLN 59 6.946 -10.772 6.526 389 1HB GLN 59 1HB GLN 59 5.158 -11.397 4.174 390 2HB GLN 59 2HB GLN 59 4.642 -11.282 5.850 391 1HG GLN 59 1HG GLN 59 5.145 -8.943 5.886 392 2HG GLN 59 2HG GLN 59 5.869 -9.031 4.278 393 1HE2 GLN 59 1HE2 GLN 59 1.993 -8.274 4.656 394 2HE2 GLN 59 2HE2 GLN 59 3.137 -8.213 5.957 395 H GLY 60 H GLY 60 8.886 -12.636 5.545 396 1HA GLY 60 1HA GLY 60 7.535 -15.098 6.385 397 2HA GLY 60 2HA GLY 60 8.386 -15.117 4.847 Start of MODEL 15 1 H SER 1 1H SER 1 14.276 5.825 5.001 2 HA SER 1 HA SER 1 11.696 6.658 5.557 3 1HB SER 1 1HB SER 1 12.056 5.368 2.837 4 2HB SER 1 2HB SER 1 10.520 5.732 3.625 5 HG SER 1 HG SER 1 10.694 7.759 3.034 6 H TRP 2 H TRP 2 10.882 5.052 6.782 7 HA TRP 2 HA TRP 2 12.475 2.708 7.160 8 1HB TRP 2 1HB TRP 2 10.911 2.120 8.932 9 2HB TRP 2 2HB TRP 2 11.402 3.800 9.063 10 HD1 TRP 2 HD1 TRP 2 9.379 5.421 7.506 11 HE1 TRP 2 1HE TRP 2 6.854 5.393 8.019 12 HE3 TRP 2 3HE TRP 2 9.111 0.959 9.984 13 HZ2 TRP 2 2HZ TRP 2 4.999 3.704 9.308 14 HZ3 TRP 2 3HZ TRP 2 6.916 0.211 10.837 15 HH2 TRP 2 HH2 TRP 2 4.910 1.557 10.505 16 H MET 3 H MET 3 9.294 3.293 5.679 17 HA MET 3 HA MET 3 9.411 0.510 4.760 18 1HB MET 3 1HB MET 3 7.061 2.193 5.549 19 2HB MET 3 2HB MET 3 6.870 0.818 4.475 20 1HG MET 3 1HG MET 3 8.055 -0.524 6.302 21 2HG MET 3 2HG MET 3 7.739 0.866 7.336 22 1HE MET 3 1HE MET 3 7.077 -1.424 8.367 23 2HE MET 3 2HE MET 3 5.391 -1.320 8.879 24 3HE MET 3 3HE MET 3 5.866 -2.492 7.651 25 H SER 4 H SER 4 10.081 0.460 2.760 26 HA SER 4 HA SER 4 9.096 2.483 0.870 27 1HB SER 4 1HB SER 4 11.499 0.647 0.616 28 2HB SER 4 2HB SER 4 11.021 1.890 -0.541 29 HG SER 4 HG SER 4 12.400 2.122 1.812 30 H THR 5 H THR 5 8.792 1.538 -1.426 31 HA THR 5 HA THR 5 7.094 -0.785 -1.122 32 HB THR 5 HB THR 5 6.374 -0.142 -3.436 33 HG1 THR 5 1HG THR 5 8.087 0.951 -4.253 34 1HG2 THR 5 1HG2 THR 5 6.219 2.348 -1.859 35 2HG2 THR 5 2HG2 THR 5 4.949 1.456 -2.699 36 3HG2 THR 5 3HG2 THR 5 5.551 0.884 -1.140 37 H VAL 6 H VAL 6 7.089 -2.544 -2.616 38 HA VAL 6 HA VAL 6 9.688 -3.119 -3.870 39 HB VAL 6 HB VAL 6 8.069 -5.375 -2.879 40 1HG1 VAL 6 1HG1 VAL 6 11.016 -4.815 -3.023 41 2HG1 VAL 6 2HG1 VAL 6 10.327 -6.281 -2.325 42 3HG1 VAL 6 3HG1 VAL 6 10.067 -5.909 -4.029 43 1HG2 VAL 6 1HG2 VAL 6 8.639 -3.313 -1.110 44 2HG2 VAL 6 2HG2 VAL 6 8.131 -4.956 -0.714 45 3HG2 VAL 6 3HG2 VAL 6 9.846 -4.556 -0.774 46 H GLY 7 H GLY 7 6.790 -2.442 -4.399 47 1HA GLY 7 1HA GLY 7 6.592 -3.785 -6.915 48 2HA GLY 7 2HA GLY 7 5.336 -4.198 -5.780 49 H GLY 8 H GLY 8 3.791 -3.290 -7.247 50 1HA GLY 8 1HA GLY 8 2.281 -1.595 -7.627 51 2HA GLY 8 2HA GLY 8 3.244 -0.563 -6.589 52 H ASN 9 H ASN 9 3.187 1.209 -7.808 53 HA ASN 9 HA ASN 9 4.866 1.156 -10.188 54 1HB ASN 9 1HB ASN 9 3.338 2.701 -11.396 55 2HB ASN 9 2HB ASN 9 2.675 1.098 -11.183 56 1HD2 ASN 9 1HD2 ASN 9 0.810 3.116 -8.390 57 2HD2 ASN 9 2HD2 ASN 9 2.397 2.438 -8.271 58 H SER 10 H SER 10 5.196 1.943 -7.443 59 HA SER 10 HA SER 10 5.254 4.828 -7.423 60 1HB SER 10 1HB SER 10 6.446 4.202 -5.155 61 2HB SER 10 2HB SER 10 4.702 4.015 -5.328 62 HG SER 10 HG SER 10 6.291 2.163 -4.568 63 H GLY 11 H GLY 11 7.529 2.119 -7.514 64 1HA GLY 11 1HA GLY 11 9.661 2.101 -8.456 65 2HA GLY 11 2HA GLY 11 9.532 3.836 -8.708 66 H GLY 12 H GLY 12 9.171 1.956 -5.728 67 1HA GLY 12 1HA GLY 12 10.586 1.841 -3.883 68 2HA GLY 12 2HA GLY 12 11.732 2.862 -4.737 69 H ALA 13 H ALA 13 8.333 3.623 -4.183 70 HA ALA 13 HA ALA 13 9.178 6.048 -2.791 71 1HB ALA 13 1HB ALA 13 7.383 5.851 -4.707 72 2HB ALA 13 2HB ALA 13 6.313 5.469 -3.357 73 3HB ALA 13 3HB ALA 13 7.185 7.004 -3.388 74 HA PRO 14 HA PRO 14 8.111 4.478 1.185 75 1HB PRO 14 1HB PRO 14 7.395 7.148 2.091 76 2HB PRO 14 2HB PRO 14 8.814 6.183 2.498 77 1HG PRO 14 1HG PRO 14 8.927 8.444 0.977 78 2HG PRO 14 2HG PRO 14 10.083 7.109 0.831 79 1HD PRO 14 1HD PRO 14 7.738 7.775 -0.901 80 2HD PRO 14 2HD PRO 14 9.340 7.163 -1.357 81 H CYS 15 H CYS 15 6.311 3.497 1.837 82 HA CYS 15 HA CYS 15 3.744 4.164 0.852 83 1HB CYS 15 1HB CYS 15 4.574 2.379 3.152 84 2HB CYS 15 2HB CYS 15 2.935 2.474 2.520 85 H VAL 16 H VAL 16 2.018 5.225 1.809 86 HA VAL 16 HA VAL 16 2.687 6.832 4.183 87 HB VAL 16 HB VAL 16 0.571 7.368 2.084 88 1HG1 VAL 16 1HG1 VAL 16 1.175 8.585 4.668 89 2HG1 VAL 16 2HG1 VAL 16 1.116 9.741 3.338 90 3HG1 VAL 16 3HG1 VAL 16 -0.273 8.704 3.670 91 1HG2 VAL 16 1HG2 VAL 16 3.312 7.659 1.820 92 2HG2 VAL 16 2HG2 VAL 16 2.072 8.440 0.837 93 3HG2 VAL 16 3HG2 VAL 16 2.744 9.276 2.238 94 H PHE 17 H PHE 17 1.512 6.639 6.010 95 HA PHE 17 HA PHE 17 -0.974 5.077 5.908 96 1HB PHE 17 1HB PHE 17 1.203 5.032 8.008 97 2HB PHE 17 2HB PHE 17 -0.346 4.227 8.151 98 HD1 PHE 17 1HD PHE 17 -0.904 2.678 6.004 99 HD2 PHE 17 2HD PHE 17 2.951 3.770 7.410 100 HE1 PHE 17 1HE PHE 17 0.057 0.717 4.886 101 HE2 PHE 17 2HE PHE 17 3.933 1.812 6.307 102 HZ PHE 17 HZ PHE 17 2.495 0.256 5.018 103 HA PRO 18 HA PRO 18 -2.496 4.572 7.132 104 1HB PRO 18 1HB PRO 18 -5.120 5.513 7.493 105 2HB PRO 18 2HB PRO 18 -4.149 4.628 8.665 106 1HG PRO 18 1HG PRO 18 -5.000 7.311 8.867 107 2HG PRO 18 2HG PRO 18 -3.833 6.490 9.911 108 1HD PRO 18 1HD PRO 18 -3.359 8.351 7.649 109 2HD PRO 18 2HD PRO 18 -2.369 8.043 9.093 110 H PHE 19 H PHE 19 -2.942 3.903 5.106 111 HA PHE 19 HA PHE 19 -3.985 5.936 3.252 112 1HB PHE 19 1HB PHE 19 -3.037 4.747 1.443 113 2HB PHE 19 2HB PHE 19 -1.795 4.833 2.683 114 HD1 PHE 19 1HD PHE 19 -4.096 2.635 0.867 115 HD2 PHE 19 2HD PHE 19 -1.014 2.844 3.793 116 HE1 PHE 19 1HE PHE 19 -3.782 0.215 0.690 117 HE2 PHE 19 2HE PHE 19 -0.705 0.403 3.621 118 HZ PHE 19 HZ PHE 19 -2.084 -0.910 2.063 119 H THR 20 H THR 20 -5.926 5.715 2.393 120 HA THR 20 HA THR 20 -7.468 3.394 3.254 121 HB THR 20 HB THR 20 -8.345 5.986 1.928 122 HG1 THR 20 1HG THR 20 -7.446 6.140 4.095 123 1HG2 THR 20 1HG2 THR 20 -10.576 5.445 2.830 124 2HG2 THR 20 2HG2 THR 20 -10.045 4.350 1.554 125 3HG2 THR 20 3HG2 THR 20 -9.985 3.833 3.241 126 H PHE 21 H PHE 21 -7.834 1.756 2.004 127 HA PHE 21 HA PHE 21 -7.610 2.070 -0.925 128 1HB PHE 21 1HB PHE 21 -6.018 0.449 0.224 129 2HB PHE 21 2HB PHE 21 -7.430 -0.468 0.684 130 HD1 PHE 21 1HD PHE 21 -6.001 0.963 -2.478 131 HD2 PHE 21 2HD PHE 21 -8.007 -2.274 -0.583 132 HE1 PHE 21 1HE PHE 21 -5.817 -0.349 -4.534 133 HE2 PHE 21 2HE PHE 21 -7.821 -3.585 -2.630 134 HZ PHE 21 HZ PHE 21 -6.710 -2.646 -4.618 135 H LEU 22 H LEU 22 -9.366 1.674 -2.058 136 HA LEU 22 HA LEU 22 -11.545 1.333 -2.552 137 1HB LEU 22 1HB LEU 22 -10.272 -1.070 -1.429 138 2HB LEU 22 2HB LEU 22 -11.935 -1.196 -1.962 139 HG LEU 22 HG LEU 22 -11.226 -0.586 -4.184 140 1HD1 LEU 22 1HD1 LEU 22 -8.715 0.014 -2.924 141 2HD1 LEU 22 2HD1 LEU 22 -8.708 -0.603 -4.577 142 3HD1 LEU 22 3HD1 LEU 22 -9.600 0.869 -4.187 143 1HD2 LEU 22 1HD2 LEU 22 -10.854 -2.967 -3.065 144 2HD2 LEU 22 2HD2 LEU 22 -10.586 -2.639 -4.777 145 3HD2 LEU 22 3HD2 LEU 22 -9.230 -2.614 -3.652 146 H GLY 23 H GLY 23 -11.329 2.681 -0.019 147 1HA GLY 23 1HA GLY 23 -13.203 3.373 1.279 148 2HA GLY 23 2HA GLY 23 -13.847 1.750 1.171 149 H ASN 24 H ASN 24 -10.849 0.884 2.025 150 HA ASN 24 HA ASN 24 -11.494 1.262 4.870 151 1HB ASN 24 1HB ASN 24 -9.788 -0.882 3.616 152 2HB ASN 24 2HB ASN 24 -10.292 -0.774 5.296 153 1HD2 ASN 24 1HD2 ASN 24 -12.589 -2.582 2.612 154 2HD2 ASN 24 2HD2 ASN 24 -10.975 -2.048 2.307 155 H LYS 25 H LYS 25 -10.143 2.295 6.180 156 HA LYS 25 HA LYS 25 -7.790 3.533 5.163 157 1HB LYS 25 1HB LYS 25 -8.772 3.388 8.002 158 2HB LYS 25 2HB LYS 25 -7.821 4.641 7.244 159 1HG LYS 25 1HG LYS 25 -9.639 5.396 5.940 160 2HG LYS 25 2HG LYS 25 -10.616 4.004 6.403 161 1HD LYS 25 1HD LYS 25 -9.643 6.141 8.284 162 2HD LYS 25 2HD LYS 25 -11.254 6.079 7.566 163 1HE LYS 25 1HE LYS 25 -11.599 3.873 8.645 164 2HE LYS 25 2HE LYS 25 -10.031 4.050 9.440 165 1HZ LYS 25 1HZ LYS 25 -11.502 6.380 9.933 166 2HZ LYS 25 2HZ LYS 25 -12.532 5.063 10.253 167 3HZ LYS 25 3HZ LYS 25 -11.036 5.189 11.048 168 H TYR 26 H TYR 26 -5.828 2.555 5.111 169 HA TYR 26 HA TYR 26 -5.386 0.328 6.965 170 1HB TYR 26 1HB TYR 26 -4.007 0.941 4.354 171 2HB TYR 26 2HB TYR 26 -3.702 -0.452 5.379 172 HD1 TYR 26 1HD TYR 26 -6.686 -0.926 6.064 173 HD2 TYR 26 2HD TYR 26 -4.632 -0.273 2.407 174 HE1 TYR 26 1HE TYR 26 -8.397 -2.208 4.870 175 HE2 TYR 26 2HE TYR 26 -6.337 -1.555 1.203 176 HH TYR 26 HH TYR 26 -8.399 -3.620 2.622 177 H GLU 27 H GLU 27 -4.258 0.781 8.596 178 HA GLU 27 HA GLU 27 -2.374 2.988 8.639 179 1HB GLU 27 1HB GLU 27 -3.160 1.117 10.855 180 2HB GLU 27 2HB GLU 27 -2.402 2.683 11.002 181 1HG GLU 27 1HG GLU 27 -4.387 3.782 10.187 182 2HG GLU 27 2HG GLU 27 -5.151 2.220 9.910 183 H SER 28 H SER 28 -2.333 -0.239 7.980 184 HA SER 28 HA SER 28 0.552 -0.410 8.321 185 1HB SER 28 1HB SER 28 0.083 -2.888 8.851 186 2HB SER 28 2HB SER 28 -0.207 -1.727 10.140 187 HG SER 28 HG SER 28 -1.910 -3.471 9.147 188 H CYS 29 H CYS 29 1.108 -2.699 7.038 189 HA CYS 29 HA CYS 29 0.393 -2.121 4.357 190 1HB CYS 29 1HB CYS 29 1.671 -4.603 5.496 191 2HB CYS 29 2HB CYS 29 1.537 -4.226 3.793 192 H THR 30 H THR 30 -0.559 -3.771 2.905 193 HA THR 30 HA THR 30 -2.612 -5.437 4.151 194 HB THR 30 HB THR 30 -3.713 -3.231 3.739 195 HG1 THR 30 1HG THR 30 -5.140 -4.838 3.510 196 1HG2 THR 30 1HG2 THR 30 -3.930 -3.361 0.904 197 2HG2 THR 30 2HG2 THR 30 -3.328 -2.046 1.912 198 3HG2 THR 30 3HG2 THR 30 -2.220 -3.292 1.338 199 H SER 31 H SER 31 -3.787 -6.677 2.421 200 HA SER 31 HA SER 31 -2.004 -7.290 0.161 201 1HB SER 31 1HB SER 31 -2.813 -9.677 0.425 202 2HB SER 31 2HB SER 31 -1.755 -9.098 1.718 203 HG SER 31 HG SER 31 -4.119 -10.163 2.008 204 H ALA 32 H ALA 32 -4.415 -5.621 0.771 205 HA ALA 32 HA ALA 32 -6.730 -6.628 -0.426 206 1HB ALA 32 1HB ALA 32 -5.935 -4.256 0.818 207 2HB ALA 32 2HB ALA 32 -6.439 -3.771 -0.806 208 3HB ALA 32 3HB ALA 32 -7.551 -4.653 0.240 209 H GLY 33 H GLY 33 -7.493 -6.703 -2.438 210 1HA GLY 33 1HA GLY 33 -7.577 -6.501 -4.728 211 2HA GLY 33 2HA GLY 33 -6.429 -5.179 -4.590 212 H ARG 34 H ARG 34 -4.922 -7.603 -3.013 213 HA ARG 34 HA ARG 34 -3.516 -8.398 -5.471 214 1HB ARG 34 1HB ARG 34 -2.570 -8.268 -2.617 215 2HB ARG 34 2HB ARG 34 -1.657 -9.010 -3.902 216 1HG ARG 34 1HG ARG 34 -2.190 -6.568 -4.960 217 2HG ARG 34 2HG ARG 34 -2.028 -6.197 -3.246 218 1HD ARG 34 1HD ARG 34 0.109 -6.071 -4.503 219 2HD ARG 34 2HD ARG 34 0.137 -7.206 -3.146 220 HE ARG 34 HE ARG 34 0.509 -8.897 -4.631 221 1HH1 ARG 34 1HH1 ARG 34 -0.776 -6.160 -6.367 222 2HH1 ARG 34 2HH1 ARG 34 -0.646 -6.895 -7.936 223 1HH2 ARG 34 1HH2 ARG 34 0.704 -9.903 -6.726 224 2HH2 ARG 34 2HH2 ARG 34 0.203 -9.016 -8.133 225 H SER 35 H SER 35 -2.165 -10.521 -4.881 226 HA SER 35 HA SER 35 -4.142 -12.608 -4.705 227 1HB SER 35 1HB SER 35 -1.173 -13.050 -4.917 228 2HB SER 35 2HB SER 35 -2.491 -14.017 -5.584 229 HG SER 35 HG SER 35 -1.596 -12.836 -7.255 230 H ASP 36 H ASP 36 -3.406 -11.007 -2.347 231 HA ASP 36 HA ASP 36 -3.241 -11.101 -0.155 232 1HB ASP 36 1HB ASP 36 -4.263 -12.799 0.876 233 2HB ASP 36 2HB ASP 36 -4.668 -13.236 -0.762 234 H GLY 37 H GLY 37 -1.155 -13.089 -1.924 235 1HA GLY 37 1HA GLY 37 0.672 -13.793 0.083 236 2HA GLY 37 2HA GLY 37 1.013 -13.780 -1.631 237 H LYS 38 H LYS 38 1.557 -11.666 -2.604 238 HA LYS 38 HA LYS 38 3.532 -10.361 -1.037 239 1HB LYS 38 1HB LYS 38 2.387 -9.528 -3.709 240 2HB LYS 38 2HB LYS 38 3.907 -9.010 -3.007 241 1HG LYS 38 1HG LYS 38 4.415 -10.606 -4.647 242 2HG LYS 38 2HG LYS 38 4.672 -11.388 -3.102 243 1HD LYS 38 1HD LYS 38 2.497 -12.504 -3.352 244 2HD LYS 38 2HD LYS 38 2.291 -11.725 -4.926 245 1HE LYS 38 1HE LYS 38 4.192 -12.874 -5.817 246 2HE LYS 38 2HE LYS 38 4.608 -13.523 -4.231 247 1HZ LYS 38 1HZ LYS 38 1.997 -14.298 -4.704 248 2HZ LYS 38 2HZ LYS 38 2.815 -14.561 -6.173 249 3HZ LYS 38 3HZ LYS 38 3.385 -15.279 -4.737 250 H MET 39 H MET 39 2.773 -9.156 0.638 251 HA MET 39 HA MET 39 0.421 -7.555 0.393 252 1HB MET 39 1HB MET 39 2.541 -7.489 2.548 253 2HB MET 39 2HB MET 39 0.925 -6.807 2.643 254 1HG MET 39 1HG MET 39 -0.011 -9.079 2.422 255 2HG MET 39 2HG MET 39 1.632 -9.721 2.453 256 1HE MET 39 1HE MET 39 -0.571 -10.718 4.180 257 2HE MET 39 2HE MET 39 0.989 -11.303 4.745 258 3HE MET 39 3HE MET 39 -0.151 -10.598 5.893 259 H TRP 40 H TRP 40 0.352 -5.260 0.522 260 HA TRP 40 HA TRP 40 2.816 -3.884 -0.289 261 1HB TRP 40 1HB TRP 40 1.534 -2.656 -2.022 262 2HB TRP 40 2HB TRP 40 1.595 -4.386 -2.362 263 HD1 TRP 40 HD1 TRP 40 -0.768 -5.748 -1.446 264 HE1 TRP 40 1HE TRP 40 -3.205 -4.940 -1.606 265 HE3 TRP 40 3HE TRP 40 0.065 -0.759 -2.143 266 HZ2 TRP 40 2HZ TRP 40 -4.580 -2.518 -1.929 267 HZ3 TRP 40 3HZ TRP 40 -1.872 0.737 -2.332 268 HH2 TRP 40 HH2 TRP 40 -4.143 -0.124 -2.238 269 H CYS 41 H CYS 41 1.735 -1.422 -0.750 270 HA CYS 41 HA CYS 41 -0.059 -0.499 1.230 271 1HB CYS 41 1HB CYS 41 1.791 1.002 2.325 272 2HB CYS 41 2HB CYS 41 1.532 -0.635 2.916 273 H ALA 42 H ALA 42 -0.731 1.600 0.734 274 HA ALA 42 HA ALA 42 -0.021 2.503 -1.878 275 1HB ALA 42 1HB ALA 42 -2.268 2.766 -0.596 276 2HB ALA 42 2HB ALA 42 -1.520 4.232 0.034 277 3HB ALA 42 3HB ALA 42 -1.730 4.028 -1.707 278 H THR 43 H THR 43 0.770 4.568 -2.441 279 HA THR 43 HA THR 43 2.781 5.526 -0.534 280 HB THR 43 HB THR 43 4.002 6.316 -2.493 281 HG1 THR 43 1HG THR 43 2.658 6.890 -4.048 282 1HG2 THR 43 1HG2 THR 43 3.531 3.877 -3.789 283 2HG2 THR 43 2HG2 THR 43 4.817 4.257 -2.643 284 3HG2 THR 43 3HG2 THR 43 3.294 3.580 -2.067 285 H THR 44 H THR 44 -0.170 6.128 -1.012 286 HA THR 44 HA THR 44 0.026 9.036 -0.750 287 HB THR 44 HB THR 44 -2.126 9.216 -2.051 288 HG1 THR 44 1HG THR 44 -2.437 6.804 -1.816 289 1HG2 THR 44 1HG2 THR 44 -0.508 8.029 -4.127 290 2HG2 THR 44 2HG2 THR 44 -1.004 9.705 -3.893 291 3HG2 THR 44 3HG2 THR 44 0.436 9.088 -3.079 292 H ALA 45 H ALA 45 -1.406 9.875 0.781 293 HA ALA 45 HA ALA 45 -2.249 8.223 2.856 294 1HB ALA 45 1HB ALA 45 -2.213 10.967 2.371 295 2HB ALA 45 2HB ALA 45 -3.902 10.579 2.704 296 3HB ALA 45 3HB ALA 45 -2.655 10.153 3.874 297 H ASN 46 H ASN 46 -4.059 9.388 0.043 298 HA ASN 46 HA ASN 46 -6.197 7.506 0.783 299 1HB ASN 46 1HB ASN 46 -6.949 9.880 0.888 300 2HB ASN 46 2HB ASN 46 -6.558 10.047 -0.826 301 1HD2 ASN 46 1HD2 ASN 46 -10.032 8.509 0.362 302 2HD2 ASN 46 2HD2 ASN 46 -8.870 9.183 1.440 303 H TYR 47 H TYR 47 -5.737 5.763 -0.381 304 HA TYR 47 HA TYR 47 -4.510 5.869 -2.949 305 1HB TYR 47 1HB TYR 47 -4.231 3.986 -1.348 306 2HB TYR 47 2HB TYR 47 -5.909 3.541 -1.615 307 HD1 TYR 47 1HD TYR 47 -6.599 2.773 -3.949 308 HD2 TYR 47 2HD TYR 47 -2.538 3.272 -2.801 309 HE1 TYR 47 1HE TYR 47 -5.885 1.368 -5.835 310 HE2 TYR 47 2HE TYR 47 -1.825 1.878 -4.680 311 HH TYR 47 HH TYR 47 -3.893 -0.070 -6.417 312 H ASP 48 H ASP 48 -7.810 5.596 -1.818 313 HA ASP 48 HA ASP 48 -9.115 4.658 -4.041 314 1HB ASP 48 1HB ASP 48 -9.857 6.533 -1.852 315 2HB ASP 48 2HB ASP 48 -10.955 6.368 -3.214 316 H ASP 49 H ASP 49 -7.688 7.800 -3.590 317 HA ASP 49 HA ASP 49 -8.961 8.863 -5.987 318 1HB ASP 49 1HB ASP 49 -7.388 10.047 -3.743 319 2HB ASP 49 2HB ASP 49 -7.452 10.902 -5.274 320 H ASP 50 H ASP 50 -5.591 8.762 -4.777 321 HA ASP 50 HA ASP 50 -4.591 9.257 -7.421 322 1HB ASP 50 1HB ASP 50 -3.171 8.785 -4.810 323 2HB ASP 50 2HB ASP 50 -2.342 9.106 -6.328 324 H ARG 51 H ARG 51 -5.187 6.364 -5.659 325 HA ARG 51 HA ARG 51 -4.561 4.208 -5.928 326 1HB ARG 51 1HB ARG 51 -4.777 4.969 -8.817 327 2HB ARG 51 2HB ARG 51 -4.995 3.364 -8.126 328 1HG ARG 51 1HG ARG 51 -6.697 4.898 -6.648 329 2HG ARG 51 2HG ARG 51 -6.847 5.604 -8.261 330 1HD ARG 51 1HD ARG 51 -7.212 2.725 -7.486 331 2HD ARG 51 2HD ARG 51 -8.471 3.869 -7.963 332 HE ARG 51 HE ARG 51 -6.433 3.519 -9.963 333 1HH1 ARG 51 1HH1 ARG 51 -9.476 2.358 -8.732 334 2HH1 ARG 51 2HH1 ARG 51 -9.879 1.471 -10.166 335 1HH2 ARG 51 1HH2 ARG 51 -6.987 2.386 -11.896 336 2HH2 ARG 51 2HH2 ARG 51 -8.489 1.507 -11.969 337 H LYS 52 H LYS 52 -2.253 5.571 -5.416 338 HA LYS 52 HA LYS 52 -0.349 4.303 -7.250 339 1HB LYS 52 1HB LYS 52 0.018 6.672 -5.404 340 2HB LYS 52 2HB LYS 52 1.339 5.889 -6.269 341 1HG LYS 52 1HG LYS 52 0.450 6.512 -8.376 342 2HG LYS 52 2HG LYS 52 -1.072 7.027 -7.658 343 1HD LYS 52 1HD LYS 52 0.080 9.027 -8.111 344 2HD LYS 52 2HD LYS 52 0.327 8.758 -6.385 345 1HE LYS 52 1HE LYS 52 2.403 9.444 -7.440 346 2HE LYS 52 2HE LYS 52 2.533 7.786 -6.857 347 1HZ LYS 52 1HZ LYS 52 1.703 7.388 -9.373 348 2HZ LYS 52 2HZ LYS 52 2.615 8.811 -9.572 349 3HZ LYS 52 3HZ LYS 52 3.329 7.420 -8.903 350 H TRP 53 H TRP 53 0.376 2.472 -6.525 351 HA TRP 53 HA TRP 53 0.667 2.079 -3.631 352 1HB TRP 53 1HB TRP 53 -0.130 -0.164 -3.926 353 2HB TRP 53 2HB TRP 53 -1.273 0.936 -4.579 354 HD1 TRP 53 HD1 TRP 53 -0.928 1.246 -7.474 355 HE1 TRP 53 1HE TRP 53 -0.557 -0.697 -9.134 356 HE3 TRP 53 3HE TRP 53 0.615 -2.184 -4.162 357 HZ2 TRP 53 2HZ TRP 53 0.296 -3.426 -8.996 358 HZ3 TRP 53 3HZ TRP 53 1.200 -4.474 -4.945 359 HH2 TRP 53 HH2 TRP 53 1.047 -5.074 -7.314 360 H GLY 54 H GLY 54 1.851 0.011 -3.181 361 1HA GLY 54 1HA GLY 54 3.895 -0.939 -4.896 362 2HA GLY 54 2HA GLY 54 4.549 0.241 -3.764 363 H PHE 55 H PHE 55 5.139 -2.627 -3.814 364 HA PHE 55 HA PHE 55 3.657 -4.035 -1.912 365 1HB PHE 55 1HB PHE 55 6.477 -4.372 -2.879 366 2HB PHE 55 2HB PHE 55 5.703 -5.486 -1.771 367 HD1 PHE 55 1HD PHE 55 3.099 -4.439 -3.671 368 HD2 PHE 55 2HD PHE 55 6.661 -6.735 -4.017 369 HE1 PHE 55 1HE PHE 55 2.114 -5.665 -5.568 370 HE2 PHE 55 2HE PHE 55 5.681 -7.971 -5.923 371 HZ PHE 55 HZ PHE 55 3.403 -7.428 -6.698 372 H CYS 56 H CYS 56 4.463 -4.948 0.066 373 HA CYS 56 HA CYS 56 5.407 -2.885 1.889 374 1HB CYS 56 1HB CYS 56 3.377 -4.354 2.374 375 2HB CYS 56 2HB CYS 56 4.486 -5.708 2.503 376 HA PRO 57 HA PRO 57 9.536 -4.512 1.926 377 1HB PRO 57 1HB PRO 57 10.400 -3.782 4.341 378 2HB PRO 57 2HB PRO 57 10.109 -2.607 3.047 379 1HG PRO 57 1HG PRO 57 8.269 -3.485 5.227 380 2HG PRO 57 2HG PRO 57 8.743 -1.819 4.828 381 1HD PRO 57 1HD PRO 57 6.432 -2.786 3.945 382 2HD PRO 57 2HD PRO 57 7.465 -1.852 2.837 383 H ASP 58 H ASP 58 10.798 -5.218 4.392 384 HA ASP 58 HA ASP 58 10.728 -7.935 4.346 385 1HB ASP 58 1HB ASP 58 11.304 -6.274 6.797 386 2HB ASP 58 2HB ASP 58 11.908 -7.876 6.436 387 H GLN 59 H GLN 59 8.995 -9.197 4.607 388 HA GLN 59 HA GLN 59 6.985 -8.562 6.618 389 1HB GLN 59 1HB GLN 59 7.097 -10.934 4.741 390 2HB GLN 59 2HB GLN 59 5.711 -10.411 5.684 391 1HG GLN 59 1HG GLN 59 5.655 -8.333 4.356 392 2HG GLN 59 2HG GLN 59 6.981 -8.960 3.377 393 1HE2 GLN 59 1HE2 GLN 59 4.899 -10.717 1.280 394 2HE2 GLN 59 2HE2 GLN 59 6.413 -9.945 1.586 395 H GLY 60 H GLY 60 9.543 -10.841 5.946 396 1HA GLY 60 1HA GLY 60 10.483 -11.512 8.304 397 2HA GLY 60 2HA GLY 60 8.949 -12.372 8.364 Start of MODEL 16 1 H SER 1 1H SER 1 13.113 5.971 7.845 2 HA SER 1 HA SER 1 15.638 4.870 6.834 3 1HB SER 1 1HB SER 1 13.116 3.343 7.544 4 2HB SER 1 2HB SER 1 14.647 2.673 6.972 5 HG SER 1 HG SER 1 13.900 3.078 9.465 6 H TRP 2 H TRP 2 14.972 3.536 4.819 7 HA TRP 2 HA TRP 2 13.052 5.158 3.272 8 1HB TRP 2 1HB TRP 2 15.423 3.533 2.302 9 2HB TRP 2 2HB TRP 2 14.281 4.374 1.259 10 HD1 TRP 2 HD1 TRP 2 14.096 7.184 2.072 11 HE1 TRP 2 1HE TRP 2 16.106 8.770 2.351 12 HE3 TRP 2 3HE TRP 2 17.785 3.697 2.715 13 HZ2 TRP 2 2HZ TRP 2 18.883 8.564 2.792 14 HZ3 TRP 2 3HZ TRP 2 20.095 4.477 3.066 15 HH2 TRP 2 HH2 TRP 2 20.628 6.867 3.103 16 H MET 3 H MET 3 11.303 3.898 4.056 17 HA MET 3 HA MET 3 11.254 1.078 3.407 18 1HB MET 3 1HB MET 3 9.069 1.097 4.543 19 2HB MET 3 2HB MET 3 10.360 1.721 5.550 20 1HG MET 3 1HG MET 3 8.435 3.461 4.027 21 2HG MET 3 2HG MET 3 8.183 2.939 5.690 22 1HE MET 3 1HE MET 3 7.713 5.408 5.843 23 2HE MET 3 2HE MET 3 8.941 6.577 6.330 24 3HE MET 3 3HE MET 3 8.594 6.320 4.619 25 H SER 4 H SER 4 11.506 2.141 1.066 26 HA SER 4 HA SER 4 9.080 2.967 -0.178 27 1HB SER 4 1HB SER 4 11.586 1.891 -1.482 28 2HB SER 4 2HB SER 4 10.295 2.778 -2.286 29 HG SER 4 HG SER 4 11.617 4.395 -1.834 30 H THR 5 H THR 5 7.936 1.786 -1.845 31 HA THR 5 HA THR 5 7.213 -0.811 -0.989 32 HB THR 5 HB THR 5 5.695 -0.752 -2.935 33 HG1 THR 5 1HG THR 5 7.488 1.129 -3.759 34 1HG2 THR 5 1HG2 THR 5 5.484 2.019 -1.963 35 2HG2 THR 5 2HG2 THR 5 4.268 0.745 -2.042 36 3HG2 THR 5 3HG2 THR 5 5.454 0.751 -0.738 37 H VAL 6 H VAL 6 6.905 -2.589 -2.691 38 HA VAL 6 HA VAL 6 9.473 -3.094 -3.978 39 HB VAL 6 HB VAL 6 7.520 -5.277 -3.620 40 1HG1 VAL 6 1HG1 VAL 6 10.294 -4.994 -4.215 41 2HG1 VAL 6 2HG1 VAL 6 10.081 -6.036 -2.811 42 3HG1 VAL 6 3HG1 VAL 6 9.257 -6.417 -4.325 43 1HG2 VAL 6 1HG2 VAL 6 7.873 -3.795 -1.424 44 2HG2 VAL 6 2HG2 VAL 6 7.693 -5.548 -1.385 45 3HG2 VAL 6 3HG2 VAL 6 9.300 -4.830 -1.302 46 H GLY 7 H GLY 7 6.341 -4.161 -4.279 47 1HA GLY 7 1HA GLY 7 6.351 -4.549 -7.082 48 2HA GLY 7 2HA GLY 7 4.994 -4.762 -6.022 49 H GLY 8 H GLY 8 3.687 -3.804 -7.629 50 1HA GLY 8 1HA GLY 8 2.370 -2.027 -8.217 51 2HA GLY 8 2HA GLY 8 3.301 -1.030 -7.121 52 H ASN 9 H ASN 9 3.636 0.709 -8.306 53 HA ASN 9 HA ASN 9 5.601 0.586 -10.378 54 1HB ASN 9 1HB ASN 9 4.227 1.767 -12.105 55 2HB ASN 9 2HB ASN 9 3.754 0.104 -11.825 56 1HD2 ASN 9 1HD2 ASN 9 1.084 2.206 -9.807 57 2HD2 ASN 9 2HD2 ASN 9 2.698 1.880 -9.286 58 H SER 10 H SER 10 5.695 1.716 -7.930 59 HA SER 10 HA SER 10 5.033 4.499 -7.975 60 1HB SER 10 1HB SER 10 6.539 4.373 -5.860 61 2HB SER 10 2HB SER 10 4.986 3.554 -5.833 62 HG SER 10 HG SER 10 6.351 2.006 -5.161 63 H GLY 11 H GLY 11 7.921 2.543 -8.489 64 1HA GLY 11 1HA GLY 11 9.869 3.144 -9.616 65 2HA GLY 11 2HA GLY 11 9.208 4.765 -9.814 66 H GLY 12 H GLY 12 9.573 2.990 -6.790 67 1HA GLY 12 1HA GLY 12 11.221 3.293 -5.137 68 2HA GLY 12 2HA GLY 12 11.837 4.672 -6.036 69 H ALA 13 H ALA 13 8.654 3.815 -4.677 70 HA ALA 13 HA ALA 13 8.769 6.315 -3.126 71 1HB ALA 13 1HB ALA 13 7.235 6.185 -5.294 72 2HB ALA 13 2HB ALA 13 6.127 5.429 -4.149 73 3HB ALA 13 3HB ALA 13 6.736 7.056 -3.844 74 HA PRO 14 HA PRO 14 7.512 3.618 0.147 75 1HB PRO 14 1HB PRO 14 6.998 5.438 2.053 76 2HB PRO 14 2HB PRO 14 8.642 5.128 1.484 77 1HG PRO 14 1HG PRO 14 6.814 7.400 0.872 78 2HG PRO 14 2HG PRO 14 8.579 7.386 1.037 79 1HD PRO 14 1HD PRO 14 7.151 7.358 -1.370 80 2HD PRO 14 2HD PRO 14 8.870 6.962 -1.181 81 H CYS 15 H CYS 15 5.676 3.297 1.720 82 HA CYS 15 HA CYS 15 3.163 3.671 0.308 83 1HB CYS 15 1HB CYS 15 3.299 2.438 3.038 84 2HB CYS 15 2HB CYS 15 2.323 1.968 1.651 85 H VAL 16 H VAL 16 1.543 5.079 0.950 86 HA VAL 16 HA VAL 16 2.189 6.876 3.176 87 HB VAL 16 HB VAL 16 0.067 7.152 1.036 88 1HG1 VAL 16 1HG1 VAL 16 0.200 8.411 3.511 89 2HG1 VAL 16 2HG1 VAL 16 0.836 9.591 2.366 90 3HG1 VAL 16 3HG1 VAL 16 -0.766 8.899 2.119 91 1HG2 VAL 16 1HG2 VAL 16 2.722 7.406 0.626 92 2HG2 VAL 16 2HG2 VAL 16 1.498 8.334 -0.241 93 3HG2 VAL 16 3HG2 VAL 16 2.319 9.045 1.144 94 H PHE 17 H PHE 17 1.329 6.397 5.090 95 HA PHE 17 HA PHE 17 -1.265 5.034 5.167 96 1HB PHE 17 1HB PHE 17 1.025 4.982 7.129 97 2HB PHE 17 2HB PHE 17 -0.548 4.272 7.429 98 HD1 PHE 17 1HD PHE 17 -1.353 2.620 5.453 99 HD2 PHE 17 2HD PHE 17 2.663 3.607 6.429 100 HE1 PHE 17 1HE PHE 17 -0.585 0.543 4.386 101 HE2 PHE 17 2HE PHE 17 3.449 1.545 5.371 102 HZ PHE 17 HZ PHE 17 1.837 -0.017 4.324 103 HA PRO 18 HA PRO 18 -2.718 4.576 6.306 104 1HB PRO 18 1HB PRO 18 -5.302 5.232 6.680 105 2HB PRO 18 2HB PRO 18 -4.222 4.846 8.016 106 1HG PRO 18 1HG PRO 18 -5.279 7.471 7.147 107 2HG PRO 18 2HG PRO 18 -4.768 6.940 8.760 108 1HD PRO 18 1HD PRO 18 -3.292 8.517 6.914 109 2HD PRO 18 2HD PRO 18 -2.705 7.832 8.440 110 H PHE 19 H PHE 19 -3.315 3.856 4.346 111 HA PHE 19 HA PHE 19 -4.217 5.887 2.417 112 1HB PHE 19 1HB PHE 19 -3.413 4.507 0.636 113 2HB PHE 19 2HB PHE 19 -2.138 4.621 1.837 114 HD1 PHE 19 1HD PHE 19 -4.737 2.391 0.433 115 HD2 PHE 19 2HD PHE 19 -1.272 2.691 2.887 116 HE1 PHE 19 1HE PHE 19 -4.542 -0.061 0.456 117 HE2 PHE 19 2HE PHE 19 -1.080 0.241 2.914 118 HZ PHE 19 HZ PHE 19 -2.718 -1.137 1.697 119 H THR 20 H THR 20 -6.179 5.691 1.415 120 HA THR 20 HA THR 20 -7.858 3.589 2.576 121 HB THR 20 HB THR 20 -8.613 6.131 1.094 122 HG1 THR 20 1HG THR 20 -7.629 6.291 3.244 123 1HG2 THR 20 1HG2 THR 20 -10.766 5.465 2.613 124 2HG2 THR 20 2HG2 THR 20 -10.614 5.178 0.879 125 3HG2 THR 20 3HG2 THR 20 -10.239 3.888 2.025 126 H PHE 21 H PHE 21 -8.443 1.915 1.541 127 HA PHE 21 HA PHE 21 -8.627 1.949 -1.405 128 1HB PHE 21 1HB PHE 21 -6.705 0.543 -0.315 129 2HB PHE 21 2HB PHE 21 -7.999 -0.522 0.198 130 HD1 PHE 21 1HD PHE 21 -8.800 0.976 -2.937 131 HD2 PHE 21 2HD PHE 21 -6.573 -2.158 -1.121 132 HE1 PHE 21 1HE PHE 21 -8.735 -0.220 -5.066 133 HE2 PHE 21 2HE PHE 21 -6.502 -3.357 -3.248 134 HZ PHE 21 HZ PHE 21 -7.574 -2.387 -5.247 135 H LEU 22 H LEU 22 -10.438 0.746 -2.196 136 HA LEU 22 HA LEU 22 -12.656 0.387 -2.213 137 1HB LEU 22 1HB LEU 22 -11.439 -1.608 -0.408 138 2HB LEU 22 2HB LEU 22 -13.023 -1.828 -1.132 139 HG LEU 22 HG LEU 22 -11.920 -2.822 -2.800 140 1HD1 LEU 22 1HD1 LEU 22 -11.336 -0.056 -3.324 141 2HD1 LEU 22 2HD1 LEU 22 -10.367 -1.235 -4.197 142 3HD1 LEU 22 3HD1 LEU 22 -12.127 -1.270 -4.331 143 1HD2 LEU 22 1HD2 LEU 22 -9.936 -2.579 -1.003 144 2HD2 LEU 22 2HD2 LEU 22 -9.937 -3.588 -2.446 145 3HD2 LEU 22 3HD2 LEU 22 -9.243 -1.969 -2.508 146 H GLY 23 H GLY 23 -12.148 2.449 -0.305 147 1HA GLY 23 1HA GLY 23 -13.617 3.618 1.069 148 2HA GLY 23 2HA GLY 23 -14.562 2.157 1.272 149 H ASN 24 H ASN 24 -11.437 1.248 2.022 150 HA ASN 24 HA ASN 24 -11.958 1.787 4.876 151 1HB ASN 24 1HB ASN 24 -10.382 -0.428 3.549 152 2HB ASN 24 2HB ASN 24 -10.622 -0.246 5.284 153 1HD2 ASN 24 1HD2 ASN 24 -13.297 -2.130 3.052 154 2HD2 ASN 24 2HD2 ASN 24 -11.731 -1.656 2.511 155 H LYS 25 H LYS 25 -10.281 2.553 6.209 156 HA LYS 25 HA LYS 25 -8.060 3.781 4.859 157 1HB LYS 25 1HB LYS 25 -8.644 3.734 7.807 158 2HB LYS 25 2HB LYS 25 -7.831 4.963 6.864 159 1HG LYS 25 1HG LYS 25 -9.904 5.585 5.782 160 2HG LYS 25 2HG LYS 25 -10.748 4.301 6.651 161 1HD LYS 25 1HD LYS 25 -9.361 6.643 7.915 162 2HD LYS 25 2HD LYS 25 -11.097 6.505 7.639 163 1HE LYS 25 1HE LYS 25 -9.449 4.655 9.353 164 2HE LYS 25 2HE LYS 25 -10.473 5.957 9.954 165 1HZ LYS 25 1HZ LYS 25 -11.954 4.275 8.219 166 2HZ LYS 25 2HZ LYS 25 -11.224 3.340 9.442 167 3HZ LYS 25 3HZ LYS 25 -12.235 4.647 9.844 168 H TYR 26 H TYR 26 -6.156 2.684 4.646 169 HA TYR 26 HA TYR 26 -5.703 0.357 6.367 170 1HB TYR 26 1HB TYR 26 -4.449 1.129 3.729 171 2HB TYR 26 2HB TYR 26 -4.066 -0.320 4.649 172 HD1 TYR 26 1HD TYR 26 -7.013 1.427 3.118 173 HD2 TYR 26 2HD TYR 26 -5.206 -2.270 4.151 174 HE1 TYR 26 1HE TYR 26 -8.843 0.232 2.028 175 HE2 TYR 26 2HE TYR 26 -7.027 -3.475 3.053 176 HH TYR 26 HH TYR 26 -9.386 -3.091 2.447 177 H GLU 27 H GLU 27 -4.478 0.561 7.971 178 HA GLU 27 HA GLU 27 -2.538 2.718 8.207 179 1HB GLU 27 1HB GLU 27 -3.627 0.654 10.107 180 2HB GLU 27 2HB GLU 27 -2.326 1.731 10.536 181 1HG GLU 27 1HG GLU 27 -3.769 3.648 10.249 182 2HG GLU 27 2HG GLU 27 -5.075 2.599 9.695 183 H SER 28 H SER 28 -2.682 -0.656 7.617 184 HA SER 28 HA SER 28 0.244 -0.757 7.609 185 1HB SER 28 1HB SER 28 -0.046 -3.212 8.150 186 2HB SER 28 2HB SER 28 -0.426 -2.113 9.467 187 HG SER 28 HG SER 28 -2.594 -2.457 9.128 188 H CYS 29 H CYS 29 0.718 -3.016 6.263 189 HA CYS 29 HA CYS 29 -0.105 -2.362 3.643 190 1HB CYS 29 1HB CYS 29 1.148 -4.900 4.678 191 2HB CYS 29 2HB CYS 29 0.981 -4.478 2.986 192 H THR 30 H THR 30 -1.153 -3.926 2.197 193 HA THR 30 HA THR 30 -3.251 -5.499 3.501 194 HB THR 30 HB THR 30 -4.228 -3.247 3.020 195 HG1 THR 30 1HG THR 30 -5.732 -4.774 2.896 196 1HG2 THR 30 1HG2 THR 30 -4.067 -3.810 0.100 197 2HG2 THR 30 2HG2 THR 30 -4.332 -2.285 0.944 198 3HG2 THR 30 3HG2 THR 30 -2.718 -3.000 0.895 199 H SER 31 H SER 31 -4.512 -6.683 1.796 200 HA SER 31 HA SER 31 -2.797 -7.496 -0.435 201 1HB SER 31 1HB SER 31 -3.785 -9.837 -0.024 202 2HB SER 31 2HB SER 31 -2.563 -9.267 1.127 203 HG SER 31 HG SER 31 -4.927 -10.143 1.717 204 H ALA 32 H ALA 32 -5.065 -5.669 0.113 205 HA ALA 32 HA ALA 32 -7.452 -6.622 -1.059 206 1HB ALA 32 1HB ALA 32 -6.460 -4.147 0.074 207 2HB ALA 32 2HB ALA 32 -7.330 -3.819 -1.423 208 3HB ALA 32 3HB ALA 32 -8.132 -4.683 -0.115 209 H GLY 33 H GLY 33 -8.233 -6.574 -3.069 210 1HA GLY 33 1HA GLY 33 -8.337 -6.205 -5.344 211 2HA GLY 33 2HA GLY 33 -7.017 -5.061 -5.179 212 H ARG 34 H ARG 34 -5.927 -7.807 -3.746 213 HA ARG 34 HA ARG 34 -4.648 -8.633 -6.252 214 1HB ARG 34 1HB ARG 34 -3.669 -9.216 -3.467 215 2HB ARG 34 2HB ARG 34 -2.809 -9.400 -4.977 216 1HG ARG 34 1HG ARG 34 -3.313 -6.803 -5.134 217 2HG ARG 34 2HG ARG 34 -3.302 -6.984 -3.374 218 1HD ARG 34 1HD ARG 34 -1.083 -6.424 -4.305 219 2HD ARG 34 2HD ARG 34 -1.105 -7.966 -3.442 220 HE ARG 34 HE ARG 34 -0.501 -8.987 -5.382 221 1HH1 ARG 34 1HH1 ARG 34 -2.022 -5.945 -6.196 222 2HH1 ARG 34 2HH1 ARG 34 -1.715 -6.096 -7.898 223 1HH2 ARG 34 1HH2 ARG 34 -0.057 -9.170 -7.608 224 2HH2 ARG 34 2HH2 ARG 34 -0.599 -7.930 -8.703 225 H SER 35 H SER 35 -4.952 -10.585 -7.045 226 HA SER 35 HA SER 35 -6.444 -12.514 -5.412 227 1HB SER 35 1HB SER 35 -6.144 -12.307 -8.420 228 2HB SER 35 2HB SER 35 -7.046 -13.572 -7.581 229 HG SER 35 HG SER 35 -8.658 -12.237 -7.461 230 H ASP 36 H ASP 36 -3.398 -11.829 -5.940 231 HA ASP 36 HA ASP 36 -2.466 -14.494 -6.618 232 1HB ASP 36 1HB ASP 36 -0.183 -13.324 -6.373 233 2HB ASP 36 2HB ASP 36 -1.181 -12.908 -7.753 234 H GLY 37 H GLY 37 -0.963 -12.314 -4.353 235 1HA GLY 37 1HA GLY 37 -1.746 -13.509 -1.977 236 2HA GLY 37 2HA GLY 37 -0.329 -14.377 -2.531 237 H LYS 38 H LYS 38 0.779 -11.801 -3.733 238 HA LYS 38 HA LYS 38 2.360 -11.058 -1.519 239 1HB LYS 38 1HB LYS 38 1.932 -9.279 -3.903 240 2HB LYS 38 2HB LYS 38 3.393 -9.523 -2.956 241 1HG LYS 38 1HG LYS 38 2.161 -11.543 -4.804 242 2HG LYS 38 2HG LYS 38 3.525 -10.517 -5.179 243 1HD LYS 38 1HD LYS 38 4.752 -11.517 -3.262 244 2HD LYS 38 2HD LYS 38 3.403 -12.632 -3.044 245 1HE LYS 38 1HE LYS 38 3.753 -13.464 -5.345 246 2HE LYS 38 2HE LYS 38 5.149 -12.394 -5.497 247 1HZ LYS 38 1HZ LYS 38 6.102 -13.579 -3.536 248 2HZ LYS 38 2HZ LYS 38 4.829 -14.695 -3.649 249 3HZ LYS 38 3HZ LYS 38 5.938 -14.536 -4.927 250 H MET 39 H MET 39 2.210 -9.398 -0.052 251 HA MET 39 HA MET 39 -0.266 -7.869 -0.067 252 1HB MET 39 1HB MET 39 1.877 -7.998 2.063 253 2HB MET 39 2HB MET 39 0.293 -7.257 2.209 254 1HG MET 39 1HG MET 39 -0.738 -9.483 1.882 255 2HG MET 39 2HG MET 39 0.878 -10.187 1.884 256 1HE MET 39 1HE MET 39 0.063 -11.819 3.650 257 2HE MET 39 2HE MET 39 -0.348 -11.420 5.317 258 3HE MET 39 3HE MET 39 -1.511 -11.118 4.023 259 H TRP 40 H TRP 40 -0.270 -5.609 -0.115 260 HA TRP 40 HA TRP 40 2.302 -4.347 -0.794 261 1HB TRP 40 1HB TRP 40 1.131 -3.080 -2.572 262 2HB TRP 40 2HB TRP 40 1.109 -4.818 -2.878 263 HD1 TRP 40 HD1 TRP 40 -1.328 -6.038 -1.999 264 HE1 TRP 40 1HE TRP 40 -3.717 -5.118 -2.239 265 HE3 TRP 40 3HE TRP 40 -0.230 -1.122 -2.776 266 HZ2 TRP 40 2HZ TRP 40 -4.955 -2.644 -2.673 267 HZ3 TRP 40 3HZ TRP 40 -2.082 0.467 -3.082 268 HH2 TRP 40 HH2 TRP 40 -4.398 -0.287 -3.038 269 H CYS 41 H CYS 41 1.446 -1.841 -1.299 270 HA CYS 41 HA CYS 41 -0.302 -0.801 0.741 271 1HB CYS 41 1HB CYS 41 1.583 0.710 1.626 272 2HB CYS 41 2HB CYS 41 1.581 -0.963 2.182 273 H ALA 42 H ALA 42 -1.085 1.206 0.083 274 HA ALA 42 HA ALA 42 -0.490 1.981 -2.599 275 1HB ALA 42 1HB ALA 42 -2.360 2.872 -0.504 276 2HB ALA 42 2HB ALA 42 -1.897 4.083 -1.701 277 3HB ALA 42 3HB ALA 42 -2.633 2.565 -2.217 278 H THR 43 H THR 43 0.423 3.941 -3.307 279 HA THR 43 HA THR 43 2.412 4.986 -1.429 280 HB THR 43 HB THR 43 3.589 5.716 -3.500 281 HG1 THR 43 1HG THR 43 2.606 5.612 -5.365 282 1HG2 THR 43 1HG2 THR 43 3.564 3.156 -4.432 283 2HG2 THR 43 2HG2 THR 43 4.539 3.734 -3.079 284 3HG2 THR 43 3HG2 THR 43 2.986 2.952 -2.778 285 H THR 44 H THR 44 -0.511 5.711 -1.903 286 HA THR 44 HA THR 44 -0.094 8.596 -1.820 287 HB THR 44 HB THR 44 -2.207 8.897 -3.158 288 HG1 THR 44 1HG THR 44 -3.298 7.181 -3.621 289 1HG2 THR 44 1HG2 THR 44 -1.228 8.320 -5.380 290 2HG2 THR 44 2HG2 THR 44 -0.196 9.301 -4.337 291 3HG2 THR 44 3HG2 THR 44 0.118 7.575 -4.517 292 H ALA 45 H ALA 45 -1.832 9.714 -0.660 293 HA ALA 45 HA ALA 45 -2.625 8.369 1.677 294 1HB ALA 45 1HB ALA 45 -2.906 11.032 0.587 295 2HB ALA 45 2HB ALA 45 -4.352 10.528 1.469 296 3HB ALA 45 3HB ALA 45 -2.778 10.508 2.265 297 H ASN 46 H ASN 46 -4.283 8.942 -1.349 298 HA ASN 46 HA ASN 46 -6.454 7.202 -0.417 299 1HB ASN 46 1HB ASN 46 -7.209 9.581 -0.695 300 2HB ASN 46 2HB ASN 46 -6.769 9.470 -2.397 301 1HD2 ASN 46 1HD2 ASN 46 -10.305 8.226 -1.132 302 2HD2 ASN 46 2HD2 ASN 46 -9.194 9.139 -0.180 303 H TYR 47 H TYR 47 -6.228 5.334 -1.427 304 HA TYR 47 HA TYR 47 -4.728 5.144 -3.873 305 1HB TYR 47 1HB TYR 47 -4.589 3.418 -2.076 306 2HB TYR 47 2HB TYR 47 -6.247 2.947 -2.450 307 HD1 TYR 47 1HD TYR 47 -2.938 3.411 -4.139 308 HD2 TYR 47 2HD TYR 47 -6.594 1.252 -3.992 309 HE1 TYR 47 1HE TYR 47 -2.129 1.927 -5.920 310 HE2 TYR 47 2HE TYR 47 -5.787 -0.246 -5.764 311 HH TYR 47 HH TYR 47 -3.490 -0.995 -6.648 312 H ASP 48 H ASP 48 -8.140 4.978 -2.994 313 HA ASP 48 HA ASP 48 -9.138 3.800 -5.296 314 1HB ASP 48 1HB ASP 48 -10.296 5.773 -3.366 315 2HB ASP 48 2HB ASP 48 -11.198 5.317 -4.805 316 H ASP 49 H ASP 49 -8.130 7.113 -4.756 317 HA ASP 49 HA ASP 49 -9.155 8.038 -7.290 318 1HB ASP 49 1HB ASP 49 -7.465 9.315 -5.146 319 2HB ASP 49 2HB ASP 49 -7.871 10.131 -6.647 320 H ASP 50 H ASP 50 -5.874 8.014 -5.905 321 HA ASP 50 HA ASP 50 -4.626 8.477 -8.417 322 1HB ASP 50 1HB ASP 50 -3.681 7.946 -5.645 323 2HB ASP 50 2HB ASP 50 -2.534 7.819 -6.974 324 H ARG 51 H ARG 51 -5.293 5.545 -6.635 325 HA ARG 51 HA ARG 51 -4.723 3.389 -6.934 326 1HB ARG 51 1HB ARG 51 -5.227 4.177 -9.787 327 2HB ARG 51 2HB ARG 51 -5.271 2.537 -9.144 328 1HG ARG 51 1HG ARG 51 -6.864 4.051 -7.448 329 2HG ARG 51 2HG ARG 51 -7.315 4.548 -9.086 330 1HD ARG 51 1HD ARG 51 -7.200 1.732 -8.035 331 2HD ARG 51 2HD ARG 51 -8.663 2.699 -8.214 332 HE ARG 51 HE ARG 51 -7.229 2.482 -10.668 333 1HH1 ARG 51 1HH1 ARG 51 -9.460 0.855 -8.536 334 2HH1 ARG 51 2HH1 ARG 51 -10.115 -0.159 -9.781 335 1HH2 ARG 51 1HH2 ARG 51 -8.122 1.181 -12.328 336 2HH2 ARG 51 2HH2 ARG 51 -9.352 0.021 -11.936 337 H LYS 52 H LYS 52 -2.496 4.714 -6.501 338 HA LYS 52 HA LYS 52 -0.575 3.399 -8.279 339 1HB LYS 52 1HB LYS 52 -0.409 6.046 -6.861 340 2HB LYS 52 2HB LYS 52 1.066 5.149 -7.218 341 1HG LYS 52 1HG LYS 52 0.544 5.168 -9.580 342 2HG LYS 52 2HG LYS 52 -0.990 5.975 -9.262 343 1HD LYS 52 1HD LYS 52 1.667 7.159 -8.491 344 2HD LYS 52 2HD LYS 52 0.926 7.434 -10.068 345 1HE LYS 52 1HE LYS 52 -0.306 8.106 -7.396 346 2HE LYS 52 2HE LYS 52 0.447 9.255 -8.507 347 1HZ LYS 52 1HZ LYS 52 -1.254 8.690 -10.158 348 2HZ LYS 52 2HZ LYS 52 -1.979 7.622 -9.050 349 3HZ LYS 52 3HZ LYS 52 -1.948 9.288 -8.731 350 H TRP 53 H TRP 53 0.333 1.731 -7.381 351 HA TRP 53 HA TRP 53 0.489 1.599 -4.443 352 1HB TRP 53 1HB TRP 53 -0.235 -0.704 -4.613 353 2HB TRP 53 2HB TRP 53 -1.400 0.339 -5.353 354 HD1 TRP 53 HD1 TRP 53 -1.052 0.493 -8.247 355 HE1 TRP 53 1HE TRP 53 -0.543 -1.502 -9.808 356 HE3 TRP 53 3HE TRP 53 0.672 -2.690 -4.763 357 HZ2 TRP 53 2HZ TRP 53 0.490 -4.155 -9.534 358 HZ3 TRP 53 3HZ TRP 53 1.418 -4.974 -5.440 359 HH2 TRP 53 HH2 TRP 53 1.322 -5.672 -7.783 360 H GLY 54 H GLY 54 1.651 -0.496 -3.831 361 1HA GLY 54 1HA GLY 54 3.806 -1.460 -5.404 362 2HA GLY 54 2HA GLY 54 4.374 -0.278 -4.222 363 H PHE 55 H PHE 55 4.893 -3.221 -4.260 364 HA PHE 55 HA PHE 55 3.240 -4.481 -2.366 365 1HB PHE 55 1HB PHE 55 6.022 -5.077 -3.336 366 2HB PHE 55 2HB PHE 55 5.226 -6.060 -2.123 367 HD1 PHE 55 1HD PHE 55 2.437 -5.811 -3.301 368 HD2 PHE 55 2HD PHE 55 6.220 -6.723 -5.017 369 HE1 PHE 55 1HE PHE 55 1.316 -7.206 -5.003 370 HE2 PHE 55 2HE PHE 55 5.107 -8.104 -6.734 371 HZ PHE 55 HZ PHE 55 2.659 -8.340 -6.728 372 H CYS 56 H CYS 56 3.916 -5.326 -0.292 373 HA CYS 56 HA CYS 56 4.655 -3.240 1.516 374 1HB CYS 56 1HB CYS 56 3.053 -5.238 1.898 375 2HB CYS 56 2HB CYS 56 4.511 -6.187 2.167 376 HA PRO 57 HA PRO 57 9.021 -4.209 1.311 377 1HB PRO 57 1HB PRO 57 9.977 -2.146 2.601 378 2HB PRO 57 2HB PRO 57 9.056 -1.871 1.107 379 1HG PRO 57 1HG PRO 57 8.091 -1.845 3.927 380 2HG PRO 57 2HG PRO 57 7.936 -0.532 2.736 381 1HD PRO 57 1HD PRO 57 5.936 -2.311 3.183 382 2HD PRO 57 2HD PRO 57 6.261 -1.662 1.558 383 H ASP 58 H ASP 58 10.767 -3.616 3.284 384 HA ASP 58 HA ASP 58 11.824 -4.842 4.921 385 1HB ASP 58 1HB ASP 58 10.830 -2.780 5.928 386 2HB ASP 58 2HB ASP 58 9.476 -3.764 6.460 387 H GLN 59 H GLN 59 10.766 -6.843 3.611 388 HA GLN 59 HA GLN 59 9.096 -8.353 5.483 389 1HB GLN 59 1HB GLN 59 9.799 -8.925 2.598 390 2HB GLN 59 2HB GLN 59 8.789 -9.954 3.605 391 1HG GLN 59 1HG GLN 59 7.301 -7.905 3.899 392 2HG GLN 59 2HG GLN 59 8.215 -7.197 2.569 393 1HE2 GLN 59 1HE2 GLN 59 5.152 -9.552 1.787 394 2HE2 GLN 59 2HE2 GLN 59 5.468 -8.764 3.290 395 H GLY 60 H GLY 60 11.714 -7.932 6.255 396 1HA GLY 60 1HA GLY 60 12.806 -10.667 6.056 397 2HA GLY 60 2HA GLY 60 13.849 -9.251 6.024 Start of MODEL 17 1 H SER 1 1H SER 1 16.224 5.438 7.534 2 HA SER 1 HA SER 1 16.014 2.874 7.576 3 1HB SER 1 1HB SER 1 13.604 3.881 9.116 4 2HB SER 1 2HB SER 1 13.819 2.235 8.512 5 HG SER 1 HG SER 1 15.336 1.860 10.014 6 H TRP 2 H TRP 2 15.063 2.247 5.687 7 HA TRP 2 HA TRP 2 13.729 4.345 4.146 8 1HB TRP 2 1HB TRP 2 14.885 1.682 3.311 9 2HB TRP 2 2HB TRP 2 14.056 2.777 2.213 10 HD1 TRP 2 HD1 TRP 2 15.326 5.475 2.547 11 HE1 TRP 2 1HE TRP 2 17.837 5.897 2.163 12 HE3 TRP 2 3HE TRP 2 17.032 0.712 3.195 13 HZ2 TRP 2 2HZ TRP 2 20.226 4.393 2.140 14 HZ3 TRP 2 3HZ TRP 2 19.447 0.280 2.986 15 HH2 TRP 2 HH2 TRP 2 21.013 2.085 2.471 16 H MET 3 H MET 3 11.575 4.383 4.475 17 HA MET 3 HA MET 3 10.129 1.874 4.736 18 1HB MET 3 1HB MET 3 8.188 3.295 5.286 19 2HB MET 3 2HB MET 3 9.552 3.610 6.337 20 1HG MET 3 1HG MET 3 10.040 5.652 5.177 21 2HG MET 3 2HG MET 3 8.810 5.301 3.962 22 1HE MET 3 1HE MET 3 6.558 4.466 4.776 23 2HE MET 3 2HE MET 3 6.190 4.401 6.500 24 3HE MET 3 3HE MET 3 5.545 5.710 5.508 25 H SER 4 H SER 4 11.359 2.431 2.303 26 HA SER 4 HA SER 4 9.444 3.416 0.410 27 1HB SER 4 1HB SER 4 11.985 1.846 -0.078 28 2HB SER 4 2HB SER 4 11.093 2.800 -1.265 29 HG SER 4 HG SER 4 11.651 4.670 -0.166 30 H THR 5 H THR 5 8.683 2.056 -1.429 31 HA THR 5 HA THR 5 7.838 -0.532 -0.384 32 HB THR 5 HB THR 5 6.013 -0.313 -2.034 33 HG1 THR 5 1HG THR 5 6.751 2.363 -2.434 34 1HG2 THR 5 1HG2 THR 5 5.551 2.235 -0.875 35 2HG2 THR 5 2HG2 THR 5 4.828 0.680 -0.468 36 3HG2 THR 5 3HG2 THR 5 6.320 1.189 0.320 37 H VAL 6 H VAL 6 7.239 -2.107 -2.019 38 HA VAL 6 HA VAL 6 9.254 -2.455 -4.159 39 HB VAL 6 HB VAL 6 7.728 -4.816 -3.332 40 1HG1 VAL 6 1HG1 VAL 6 10.381 -4.155 -4.304 41 2HG1 VAL 6 2HG1 VAL 6 10.386 -5.431 -3.084 42 3HG1 VAL 6 3HG1 VAL 6 9.407 -5.607 -4.542 43 1HG2 VAL 6 1HG2 VAL 6 8.204 -3.473 -1.159 44 2HG2 VAL 6 2HG2 VAL 6 8.498 -5.213 -1.212 45 3HG2 VAL 6 3HG2 VAL 6 9.847 -4.086 -1.371 46 H GLY 7 H GLY 7 7.706 -4.653 -5.136 47 1HA GLY 7 1HA GLY 7 6.207 -4.831 -6.946 48 2HA GLY 7 2HA GLY 7 5.132 -4.630 -5.607 49 H GLY 8 H GLY 8 3.580 -3.339 -5.994 50 1HA GLY 8 1HA GLY 8 2.298 -1.692 -6.947 51 2HA GLY 8 2HA GLY 8 3.560 -0.693 -6.263 52 H ASN 9 H ASN 9 3.472 0.877 -7.700 53 HA ASN 9 HA ASN 9 4.811 0.443 -10.209 54 1HB ASN 9 1HB ASN 9 3.082 1.590 -11.565 55 2HB ASN 9 2HB ASN 9 2.559 0.035 -10.955 56 1HD2 ASN 9 1HD2 ASN 9 0.826 2.652 -8.548 57 2HD2 ASN 9 2HD2 ASN 9 2.482 2.172 -8.459 58 H SER 10 H SER 10 4.649 1.977 -7.504 59 HA SER 10 HA SER 10 5.019 4.705 -8.445 60 1HB SER 10 1HB SER 10 5.040 3.609 -5.621 61 2HB SER 10 2HB SER 10 4.880 5.294 -6.099 62 HG SER 10 HG SER 10 2.883 4.085 -5.545 63 H GLY 11 H GLY 11 6.935 2.324 -8.766 64 1HA GLY 11 1HA GLY 11 9.223 2.106 -8.895 65 2HA GLY 11 2HA GLY 11 9.354 3.779 -8.364 66 H GLY 12 H GLY 12 9.771 4.231 -6.260 67 1HA GLY 12 1HA GLY 12 9.794 2.009 -4.339 68 2HA GLY 12 2HA GLY 12 11.290 2.890 -4.620 69 H ALA 13 H ALA 13 8.058 4.275 -4.585 70 HA ALA 13 HA ALA 13 8.858 6.277 -2.688 71 1HB ALA 13 1HB ALA 13 7.007 6.217 -4.682 72 2HB ALA 13 2HB ALA 13 5.990 6.022 -3.254 73 3HB ALA 13 3HB ALA 13 7.055 7.420 -3.394 74 HA PRO 14 HA PRO 14 7.601 4.278 1.056 75 1HB PRO 14 1HB PRO 14 6.797 6.869 2.144 76 2HB PRO 14 2HB PRO 14 8.145 5.831 2.615 77 1HG PRO 14 1HG PRO 14 8.497 8.195 1.347 78 2HG PRO 14 2HG PRO 14 9.592 6.817 1.127 79 1HD PRO 14 1HD PRO 14 7.395 7.798 -0.659 80 2HD PRO 14 2HD PRO 14 9.005 7.185 -1.085 81 H CYS 15 H CYS 15 5.773 3.789 2.375 82 HA CYS 15 HA CYS 15 3.254 4.101 0.996 83 1HB CYS 15 1HB CYS 15 3.357 3.024 3.783 84 2HB CYS 15 2HB CYS 15 2.420 2.456 2.411 85 H VAL 16 H VAL 16 1.592 5.491 1.576 86 HA VAL 16 HA VAL 16 2.171 7.333 3.792 87 HB VAL 16 HB VAL 16 0.119 7.639 1.591 88 1HG1 VAL 16 1HG1 VAL 16 0.911 9.346 3.923 89 2HG1 VAL 16 2HG1 VAL 16 0.270 10.080 2.454 90 3HG1 VAL 16 3HG1 VAL 16 -0.702 8.918 3.356 91 1HG2 VAL 16 1HG2 VAL 16 2.936 8.093 1.601 92 2HG2 VAL 16 2HG2 VAL 16 1.776 8.370 0.302 93 3HG2 VAL 16 3HG2 VAL 16 2.101 9.639 1.481 94 H PHE 17 H PHE 17 1.274 6.771 5.671 95 HA PHE 17 HA PHE 17 -1.317 5.396 5.626 96 1HB PHE 17 1HB PHE 17 0.856 5.469 7.713 97 2HB PHE 17 2HB PHE 17 -0.709 4.715 7.949 98 HD1 PHE 17 1HD PHE 17 -1.337 3.049 5.869 99 HD2 PHE 17 2HD PHE 17 2.554 4.080 7.238 100 HE1 PHE 17 1HE PHE 17 -0.447 0.969 4.909 101 HE2 PHE 17 2HE PHE 17 3.461 2.009 6.279 102 HZ PHE 17 HZ PHE 17 1.964 0.429 5.087 103 HA PRO 18 HA PRO 18 -2.816 4.885 6.784 104 1HB PRO 18 1HB PRO 18 -5.482 5.782 7.129 105 2HB PRO 18 2HB PRO 18 -4.500 4.908 8.306 106 1HG PRO 18 1HG PRO 18 -5.396 7.547 8.557 107 2HG PRO 18 2HG PRO 18 -4.112 6.794 9.512 108 1HD PRO 18 1HD PRO 18 -3.901 8.589 7.139 109 2HD PRO 18 2HD PRO 18 -2.855 8.485 8.573 110 H PHE 19 H PHE 19 -3.397 4.089 4.814 111 HA PHE 19 HA PHE 19 -4.424 6.069 2.889 112 1HB PHE 19 1HB PHE 19 -3.637 4.681 1.092 113 2HB PHE 19 2HB PHE 19 -2.312 4.974 2.208 114 HD1 PHE 19 1HD PHE 19 -1.689 3.113 3.823 115 HD2 PHE 19 2HD PHE 19 -4.274 2.533 0.499 116 HE1 PHE 19 1HE PHE 19 -1.262 0.693 3.904 117 HE2 PHE 19 2HE PHE 19 -3.838 0.116 0.574 118 HZ PHE 19 HZ PHE 19 -2.342 -0.806 2.283 119 H THR 20 H THR 20 -6.404 5.873 2.114 120 HA THR 20 HA THR 20 -7.996 3.663 3.145 121 HB THR 20 HB THR 20 -8.974 6.050 1.564 122 HG1 THR 20 1HG THR 20 -8.424 7.239 3.178 123 1HG2 THR 20 1HG2 THR 20 -10.832 5.562 3.468 124 2HG2 THR 20 2HG2 THR 20 -10.897 4.952 1.815 125 3HG2 THR 20 3HG2 THR 20 -10.269 3.931 3.107 126 H PHE 21 H PHE 21 -8.668 2.022 2.028 127 HA PHE 21 HA PHE 21 -8.797 2.175 -0.920 128 1HB PHE 21 1HB PHE 21 -6.785 0.843 0.075 129 2HB PHE 21 2HB PHE 21 -7.996 -0.315 0.568 130 HD1 PHE 21 1HD PHE 21 -8.851 1.255 -2.543 131 HD2 PHE 21 2HD PHE 21 -6.550 -1.861 -0.777 132 HE1 PHE 21 1HE PHE 21 -8.701 0.119 -4.705 133 HE2 PHE 21 2HE PHE 21 -6.395 -2.990 -2.937 134 HZ PHE 21 HZ PHE 21 -7.456 -1.990 -4.930 135 H LEU 22 H LEU 22 -10.546 1.029 -1.763 136 HA LEU 22 HA LEU 22 -12.725 0.531 -1.834 137 1HB LEU 22 1HB LEU 22 -11.442 -1.512 -0.127 138 2HB LEU 22 2HB LEU 22 -13.003 -1.765 -0.888 139 HG LEU 22 HG LEU 22 -11.828 -2.614 -2.589 140 1HD1 LEU 22 1HD1 LEU 22 -11.688 0.134 -3.022 141 2HD1 LEU 22 2HD1 LEU 22 -10.233 -0.645 -3.641 142 3HD1 LEU 22 3HD1 LEU 22 -11.823 -1.180 -4.188 143 1HD2 LEU 22 1HD2 LEU 22 -9.749 -2.040 -0.794 144 2HD2 LEU 22 2HD2 LEU 22 -9.959 -3.409 -1.886 145 3HD2 LEU 22 3HD2 LEU 22 -9.211 -1.923 -2.469 146 H GLY 23 H GLY 23 -12.291 2.494 0.180 147 1HA GLY 23 1HA GLY 23 -13.828 3.531 1.590 148 2HA GLY 23 2HA GLY 23 -14.676 2.006 1.760 149 H ASN 24 H ASN 24 -11.656 1.008 2.448 150 HA ASN 24 HA ASN 24 -12.047 1.606 5.303 151 1HB ASN 24 1HB ASN 24 -10.595 -0.661 3.938 152 2HB ASN 24 2HB ASN 24 -10.721 -0.447 5.677 153 1HD2 ASN 24 1HD2 ASN 24 -13.567 -2.341 3.698 154 2HD2 ASN 24 2HD2 ASN 24 -11.988 -2.008 3.098 155 H LYS 25 H LYS 25 -10.505 2.580 6.471 156 HA LYS 25 HA LYS 25 -8.274 3.780 5.156 157 1HB LYS 25 1HB LYS 25 -9.228 3.735 8.019 158 2HB LYS 25 2HB LYS 25 -7.965 4.760 7.395 159 1HG LYS 25 1HG LYS 25 -9.479 5.981 6.025 160 2HG LYS 25 2HG LYS 25 -10.764 4.821 6.339 161 1HD LYS 25 1HD LYS 25 -11.111 6.873 7.607 162 2HD LYS 25 2HD LYS 25 -10.834 5.507 8.684 163 1HE LYS 25 1HE LYS 25 -8.595 7.324 7.858 164 2HE LYS 25 2HE LYS 25 -9.655 7.735 9.202 165 1HZ LYS 25 1HZ LYS 25 -9.051 5.386 10.030 166 2HZ LYS 25 2HZ LYS 25 -7.729 5.523 8.981 167 3HZ LYS 25 3HZ LYS 25 -7.929 6.639 10.246 168 H TYR 26 H TYR 26 -6.304 2.797 4.977 169 HA TYR 26 HA TYR 26 -5.780 0.573 6.797 170 1HB TYR 26 1HB TYR 26 -4.483 1.226 4.153 171 2HB TYR 26 2HB TYR 26 -4.170 -0.196 5.136 172 HD1 TYR 26 1HD TYR 26 -7.274 -0.397 5.848 173 HD2 TYR 26 2HD TYR 26 -5.045 -0.181 2.245 174 HE1 TYR 26 1HE TYR 26 -9.038 -1.625 4.684 175 HE2 TYR 26 2HE TYR 26 -6.803 -1.406 1.076 176 HH TYR 26 HH TYR 26 -9.653 -1.617 1.802 177 H GLU 27 H GLU 27 -4.686 1.081 8.427 178 HA GLU 27 HA GLU 27 -2.785 3.262 8.437 179 1HB GLU 27 1HB GLU 27 -3.599 1.423 10.673 180 2HB GLU 27 2HB GLU 27 -2.785 2.960 10.815 181 1HG GLU 27 1HG GLU 27 -4.749 4.108 9.939 182 2HG GLU 27 2HG GLU 27 -5.575 2.562 9.778 183 H SER 28 H SER 28 -2.801 -0.084 8.029 184 HA SER 28 HA SER 28 0.116 -0.193 8.244 185 1HB SER 28 1HB SER 28 -0.348 -2.675 8.835 186 2HB SER 28 2HB SER 28 -0.570 -1.477 10.108 187 HG SER 28 HG SER 28 -2.329 -2.967 9.955 188 H CYS 29 H CYS 29 0.629 -2.559 7.019 189 HA CYS 29 HA CYS 29 -0.020 -2.013 4.324 190 1HB CYS 29 1HB CYS 29 1.052 -4.564 5.533 191 2HB CYS 29 2HB CYS 29 0.985 -4.206 3.828 192 H THR 30 H THR 30 -1.044 -3.570 2.892 193 HA THR 30 HA THR 30 -3.234 -5.110 4.094 194 HB THR 30 HB THR 30 -4.149 -2.840 3.459 195 HG1 THR 30 1HG THR 30 -5.666 -4.385 3.291 196 1HG2 THR 30 1HG2 THR 30 -4.364 -3.037 0.705 197 2HG2 THR 30 2HG2 THR 30 -3.393 -1.874 1.604 198 3HG2 THR 30 3HG2 THR 30 -2.667 -3.378 1.030 199 H SER 31 H SER 31 -4.421 -6.103 1.993 200 HA SER 31 HA SER 31 -2.457 -6.900 0.005 201 1HB SER 31 1HB SER 31 -3.253 -9.327 0.328 202 2HB SER 31 2HB SER 31 -2.146 -8.671 1.553 203 HG SER 31 HG SER 31 -4.887 -9.272 1.734 204 H ALA 32 H ALA 32 -4.903 -5.293 0.476 205 HA ALA 32 HA ALA 32 -7.153 -6.358 -0.823 206 1HB ALA 32 1HB ALA 32 -6.561 -4.082 0.608 207 2HB ALA 32 2HB ALA 32 -6.779 -3.445 -1.024 208 3HB ALA 32 3HB ALA 32 -8.072 -4.362 -0.255 209 H GLY 33 H GLY 33 -7.961 -6.118 -2.882 210 1HA GLY 33 1HA GLY 33 -7.948 -5.835 -5.155 211 2HA GLY 33 2HA GLY 33 -6.742 -4.582 -4.921 212 H ARG 34 H ARG 34 -5.611 -7.417 -3.556 213 HA ARG 34 HA ARG 34 -4.040 -7.957 -5.992 214 1HB ARG 34 1HB ARG 34 -3.451 -8.315 -3.072 215 2HB ARG 34 2HB ARG 34 -2.497 -9.098 -4.315 216 1HG ARG 34 1HG ARG 34 -2.318 -6.595 -5.208 217 2HG ARG 34 2HG ARG 34 -2.610 -6.246 -3.504 218 1HD ARG 34 1HD ARG 34 -0.178 -7.035 -4.710 219 2HD ARG 34 2HD ARG 34 -0.467 -6.741 -3.016 220 HE ARG 34 HE ARG 34 -0.356 -9.293 -4.369 221 1HH1 ARG 34 1HH1 ARG 34 -1.001 -7.370 -1.596 222 2HH1 ARG 34 2HH1 ARG 34 -1.115 -8.711 -0.507 223 1HH2 ARG 34 1HH2 ARG 34 -0.604 -11.074 -3.068 224 2HH2 ARG 34 2HH2 ARG 34 -0.943 -10.874 -1.375 225 H SER 35 H SER 35 -4.696 -9.893 -3.119 226 HA SER 35 HA SER 35 -5.678 -11.889 -2.768 227 1HB SER 35 1HB SER 35 -6.618 -11.719 -5.629 228 2HB SER 35 2HB SER 35 -7.181 -12.876 -4.423 229 HG SER 35 HG SER 35 -8.491 -11.405 -3.703 230 H ASP 36 H ASP 36 -2.842 -11.730 -3.912 231 HA ASP 36 HA ASP 36 -2.842 -14.467 -4.916 232 1HB ASP 36 1HB ASP 36 -0.552 -13.967 -5.840 233 2HB ASP 36 2HB ASP 36 -1.903 -13.252 -6.669 234 H GLY 37 H GLY 37 -0.069 -12.734 -3.667 235 1HA GLY 37 1HA GLY 37 -0.127 -14.486 -1.347 236 2HA GLY 37 2HA GLY 37 1.281 -14.522 -2.371 237 H LYS 38 H LYS 38 1.681 -11.777 -2.790 238 HA LYS 38 HA LYS 38 3.143 -11.063 -0.511 239 1HB LYS 38 1HB LYS 38 2.214 -9.136 -2.642 240 2HB LYS 38 2HB LYS 38 3.715 -9.105 -1.705 241 1HG LYS 38 1HG LYS 38 4.575 -9.968 -3.594 242 2HG LYS 38 2HG LYS 38 4.036 -11.477 -2.887 243 1HD LYS 38 1HD LYS 38 1.965 -11.336 -4.206 244 2HD LYS 38 2HD LYS 38 2.550 -9.839 -4.940 245 1HE LYS 38 1HE LYS 38 4.525 -11.082 -5.779 246 2HE LYS 38 2HE LYS 38 3.826 -12.565 -5.132 247 1HZ LYS 38 1HZ LYS 38 1.792 -11.676 -6.619 248 2HZ LYS 38 2HZ LYS 38 3.103 -11.056 -7.507 249 3HZ LYS 38 3HZ LYS 38 2.999 -12.722 -7.204 250 H MET 39 H MET 39 2.759 -8.310 -0.379 251 HA MET 39 HA MET 39 0.129 -7.599 0.435 252 1HB MET 39 1HB MET 39 2.336 -7.937 2.476 253 2HB MET 39 2HB MET 39 0.976 -6.864 2.700 254 1HG MET 39 1HG MET 39 -0.564 -8.736 2.585 255 2HG MET 39 2HG MET 39 0.787 -9.834 2.311 256 1HE MET 39 1HE MET 39 -0.893 -7.319 4.663 257 2HE MET 39 2HE MET 39 -0.146 -7.605 6.234 258 3HE MET 39 3HE MET 39 0.752 -6.760 4.970 259 H TRP 40 H TRP 40 -0.037 -5.308 0.518 260 HA TRP 40 HA TRP 40 2.462 -3.884 -0.082 261 1HB TRP 40 1HB TRP 40 1.292 -2.623 -1.853 262 2HB TRP 40 2HB TRP 40 1.382 -4.340 -2.211 263 HD1 TRP 40 HD1 TRP 40 -0.998 -5.748 -1.650 264 HE1 TRP 40 1HE TRP 40 -3.428 -4.946 -1.938 265 HE3 TRP 40 3HE TRP 40 -0.171 -0.733 -1.900 266 HZ2 TRP 40 2HZ TRP 40 -4.795 -2.517 -2.218 267 HZ3 TRP 40 3HZ TRP 40 -2.091 0.764 -2.172 268 HH2 TRP 40 HH2 TRP 40 -4.360 -0.112 -2.334 269 H CYS 41 H CYS 41 1.737 -1.462 -0.492 270 HA CYS 41 HA CYS 41 -0.142 -0.415 1.446 271 1HB CYS 41 1HB CYS 41 1.663 1.089 2.406 272 2HB CYS 41 2HB CYS 41 1.757 -0.598 2.906 273 H ALA 42 H ALA 42 -0.926 1.551 0.701 274 HA ALA 42 HA ALA 42 -0.157 2.288 -1.956 275 1HB ALA 42 1HB ALA 42 -2.356 2.843 -0.250 276 2HB ALA 42 2HB ALA 42 -1.675 4.377 -0.789 277 3HB ALA 42 3HB ALA 42 -2.186 3.175 -1.974 278 H THR 43 H THR 43 0.734 4.235 -2.625 279 HA THR 43 HA THR 43 2.564 5.401 -0.657 280 HB THR 43 HB THR 43 3.864 6.113 -2.610 281 HG1 THR 43 1HG THR 43 2.077 6.414 -4.046 282 1HG2 THR 43 1HG2 THR 43 3.648 3.551 -3.698 283 2HG2 THR 43 2HG2 THR 43 4.783 4.092 -2.460 284 3HG2 THR 43 3HG2 THR 43 3.240 3.377 -1.993 285 H THR 44 H THR 44 -0.356 5.926 -1.231 286 HA THR 44 HA THR 44 -0.166 8.846 -1.283 287 HB THR 44 HB THR 44 -2.250 8.934 -2.634 288 HG1 THR 44 1HG THR 44 -3.328 7.182 -2.973 289 1HG2 THR 44 1HG2 THR 44 -0.693 7.257 -4.426 290 2HG2 THR 44 2HG2 THR 44 -1.142 8.958 -4.562 291 3HG2 THR 44 3HG2 THR 44 0.268 8.490 -3.606 292 H ALA 45 H ALA 45 -1.840 9.889 -0.048 293 HA ALA 45 HA ALA 45 -2.555 8.553 2.322 294 1HB ALA 45 1HB ALA 45 -2.376 11.091 1.828 295 2HB ALA 45 2HB ALA 45 -4.070 10.950 1.360 296 3HB ALA 45 3HB ALA 45 -3.571 10.528 2.999 297 H ASN 46 H ASN 46 -4.335 9.126 -0.651 298 HA ASN 46 HA ASN 46 -6.397 7.280 0.337 299 1HB ASN 46 1HB ASN 46 -7.262 9.620 0.163 300 2HB ASN 46 2HB ASN 46 -6.878 9.595 -1.558 301 1HD2 ASN 46 1HD2 ASN 46 -10.309 8.128 -0.205 302 2HD2 ASN 46 2HD2 ASN 46 -9.189 9.022 0.756 303 H TYR 47 H TYR 47 -5.975 5.431 -0.682 304 HA TYR 47 HA TYR 47 -4.634 5.341 -3.194 305 1HB TYR 47 1HB TYR 47 -4.378 3.615 -1.427 306 2HB TYR 47 2HB TYR 47 -6.031 3.090 -1.748 307 HD1 TYR 47 1HD TYR 47 -2.824 3.713 -3.560 308 HD2 TYR 47 2HD TYR 47 -6.354 1.367 -3.252 309 HE1 TYR 47 1HE TYR 47 -2.013 2.263 -5.374 310 HE2 TYR 47 2HE TYR 47 -5.546 -0.089 -5.049 311 HH TYR 47 HH TYR 47 -3.830 -0.632 -6.338 312 H ASP 48 H ASP 48 -7.980 5.092 -2.199 313 HA ASP 48 HA ASP 48 -9.100 3.914 -4.436 314 1HB ASP 48 1HB ASP 48 -10.131 5.871 -2.421 315 2HB ASP 48 2HB ASP 48 -11.131 5.416 -3.797 316 H ASP 49 H ASP 49 -8.083 7.233 -3.979 317 HA ASP 49 HA ASP 49 -9.238 8.037 -6.524 318 1HB ASP 49 1HB ASP 49 -7.884 9.537 -4.300 319 2HB ASP 49 2HB ASP 49 -8.311 10.296 -5.825 320 H ASP 50 H ASP 50 -6.005 8.306 -4.988 321 HA ASP 50 HA ASP 50 -4.782 9.023 -7.477 322 1HB ASP 50 1HB ASP 50 -3.587 8.327 -4.792 323 2HB ASP 50 2HB ASP 50 -2.651 8.881 -6.175 324 H ARG 51 H ARG 51 -5.385 6.006 -5.949 325 HA ARG 51 HA ARG 51 -4.605 3.909 -6.228 326 1HB ARG 51 1HB ARG 51 -5.074 4.829 -9.027 327 2HB ARG 51 2HB ARG 51 -4.967 3.140 -8.534 328 1HG ARG 51 1HG ARG 51 -6.744 4.089 -6.742 329 2HG ARG 51 2HG ARG 51 -7.121 5.093 -8.150 330 1HD ARG 51 1HD ARG 51 -6.838 2.123 -8.321 331 2HD ARG 51 2HD ARG 51 -8.356 2.893 -7.853 332 HE ARG 51 HE ARG 51 -7.565 4.142 -10.185 333 1HH1 ARG 51 1HH1 ARG 51 -8.316 0.856 -9.250 334 2HH1 ARG 51 2HH1 ARG 51 -8.995 0.436 -10.792 335 1HH2 ARG 51 1HH2 ARG 51 -8.392 3.590 -12.217 336 2HH2 ARG 51 2HH2 ARG 51 -9.054 2.004 -12.485 337 H LYS 52 H LYS 52 -2.348 5.083 -5.586 338 HA LYS 52 HA LYS 52 -0.458 3.843 -7.442 339 1HB LYS 52 1HB LYS 52 -0.150 6.460 -5.992 340 2HB LYS 52 2HB LYS 52 1.261 5.531 -6.483 341 1HG LYS 52 1HG LYS 52 0.400 5.569 -8.817 342 2HG LYS 52 2HG LYS 52 -0.888 6.641 -8.265 343 1HD LYS 52 1HD LYS 52 0.710 8.318 -7.636 344 2HD LYS 52 2HD LYS 52 2.059 7.232 -7.985 345 1HE LYS 52 1HE LYS 52 1.254 7.151 -10.363 346 2HE LYS 52 2HE LYS 52 0.087 8.404 -9.943 347 1HZ LYS 52 1HZ LYS 52 3.037 8.677 -9.722 348 2HZ LYS 52 2HZ LYS 52 2.086 9.320 -10.964 349 3HZ LYS 52 3HZ LYS 52 1.899 9.881 -9.368 350 H TRP 53 H TRP 53 0.400 2.131 -6.583 351 HA TRP 53 HA TRP 53 0.615 2.001 -3.652 352 1HB TRP 53 1HB TRP 53 -0.052 -0.314 -3.798 353 2HB TRP 53 2HB TRP 53 -1.249 0.700 -4.516 354 HD1 TRP 53 HD1 TRP 53 -0.885 0.846 -7.445 355 HE1 TRP 53 1HE TRP 53 -0.464 -1.194 -8.972 356 HE3 TRP 53 3HE TRP 53 0.756 -2.318 -3.916 357 HZ2 TRP 53 2HZ TRP 53 0.485 -3.875 -8.657 358 HZ3 TRP 53 3HZ TRP 53 1.421 -4.634 -4.551 359 HH2 TRP 53 HH2 TRP 53 1.281 -5.382 -6.882 360 H GLY 54 H GLY 54 1.886 0.121 -2.918 361 1HA GLY 54 1HA GLY 54 4.130 -0.714 -4.525 362 2HA GLY 54 2HA GLY 54 4.553 0.397 -3.224 363 H PHE 55 H PHE 55 5.352 -2.385 -3.468 364 HA PHE 55 HA PHE 55 3.732 -3.897 -1.650 365 1HB PHE 55 1HB PHE 55 6.174 -4.391 -3.249 366 2HB PHE 55 2HB PHE 55 5.962 -5.378 -1.810 367 HD1 PHE 55 1HD PHE 55 2.892 -5.106 -2.102 368 HD2 PHE 55 2HD PHE 55 5.994 -6.413 -4.684 369 HE1 PHE 55 1HE PHE 55 1.286 -6.600 -3.213 370 HE2 PHE 55 2HE PHE 55 4.383 -7.914 -5.832 371 HZ PHE 55 HZ PHE 55 2.022 -8.006 -5.087 372 H CYS 56 H CYS 56 4.440 -4.880 0.267 373 HA CYS 56 HA CYS 56 6.165 -3.166 1.905 374 1HB CYS 56 1HB CYS 56 4.146 -5.306 2.699 375 2HB CYS 56 2HB CYS 56 5.144 -4.397 3.840 376 HA PRO 57 HA PRO 57 9.144 -6.382 1.233 377 1HB PRO 57 1HB PRO 57 11.224 -5.347 2.474 378 2HB PRO 57 2HB PRO 57 10.543 -4.536 1.047 379 1HG PRO 57 1HG PRO 57 9.922 -4.068 3.928 380 2HG PRO 57 2HG PRO 57 10.524 -2.864 2.763 381 1HD PRO 57 1HD PRO 57 7.903 -3.058 3.276 382 2HD PRO 57 2HD PRO 57 8.467 -2.831 1.602 383 H ASP 58 H ASP 58 11.126 -6.994 2.975 384 HA ASP 58 HA ASP 58 11.572 -8.682 4.437 385 1HB ASP 58 1HB ASP 58 11.746 -6.599 5.743 386 2HB ASP 58 2HB ASP 58 10.069 -6.789 6.236 387 H GLN 59 H GLN 59 9.784 -9.859 3.065 388 HA GLN 59 HA GLN 59 7.700 -10.797 4.921 389 1HB GLN 59 1HB GLN 59 7.714 -10.702 1.906 390 2HB GLN 59 2HB GLN 59 6.549 -11.648 2.821 391 1HG GLN 59 1HG GLN 59 5.993 -9.459 4.014 392 2HG GLN 59 2HG GLN 59 6.863 -8.678 2.687 393 1HE2 GLN 59 1HE2 GLN 59 3.085 -9.783 2.217 394 2HE2 GLN 59 2HE2 GLN 59 3.914 -9.713 3.731 395 H GLY 60 H GLY 60 10.570 -11.666 4.479 396 1HA GLY 60 1HA GLY 60 9.945 -14.524 4.089 397 2HA GLY 60 2HA GLY 60 11.406 -13.802 3.426 Start of MODEL 18 1 H SER 1 1H SER 1 18.779 6.013 -0.132 2 HA SER 1 HA SER 1 16.695 5.266 -0.173 3 1HB SER 1 1HB SER 1 18.326 3.476 -0.685 4 2HB SER 1 2HB SER 1 18.273 2.955 0.999 5 HG SER 1 HG SER 1 16.743 1.703 0.225 6 H TRP 2 H TRP 2 14.864 5.449 0.913 7 HA TRP 2 HA TRP 2 14.907 5.194 3.831 8 1HB TRP 2 1HB TRP 2 12.601 6.296 3.598 9 2HB TRP 2 2HB TRP 2 14.005 7.277 3.211 10 HD1 TRP 2 HD1 TRP 2 11.711 4.944 1.072 11 HE1 TRP 2 1HE TRP 2 11.119 6.206 -1.092 12 HE3 TRP 2 3HE TRP 2 14.246 9.296 1.950 13 HZ2 TRP 2 2HZ TRP 2 11.651 8.714 -2.263 14 HZ3 TRP 2 3HZ TRP 2 14.148 11.075 0.258 15 HH2 TRP 2 HH2 TRP 2 12.878 10.788 -1.806 16 H MET 3 H MET 3 11.817 4.943 3.435 17 HA MET 3 HA MET 3 11.814 2.032 3.542 18 1HB MET 3 1HB MET 3 9.579 4.021 4.034 19 2HB MET 3 2HB MET 3 9.489 2.290 4.319 20 1HG MET 3 1HG MET 3 11.178 2.441 6.039 21 2HG MET 3 2HG MET 3 11.390 4.160 5.707 22 1HE MET 3 1HE MET 3 11.246 3.341 8.341 23 2HE MET 3 2HE MET 3 10.575 4.959 8.561 24 3HE MET 3 3HE MET 3 9.754 3.562 9.259 25 H SER 4 H SER 4 12.411 2.178 1.146 26 HA SER 4 HA SER 4 10.435 2.989 -0.729 27 1HB SER 4 1HB SER 4 12.608 0.968 -1.279 28 2HB SER 4 2HB SER 4 11.897 2.140 -2.391 29 HG SER 4 HG SER 4 13.932 2.440 -0.557 30 H THR 5 H THR 5 9.396 1.505 -2.292 31 HA THR 5 HA THR 5 8.351 -0.858 -0.912 32 HB THR 5 HB THR 5 6.482 -0.560 -2.641 33 HG1 THR 5 1HG THR 5 7.329 2.110 -2.787 34 1HG2 THR 5 1HG2 THR 5 6.205 1.888 -1.199 35 2HG2 THR 5 2HG2 THR 5 5.327 0.369 -1.019 36 3HG2 THR 5 3HG2 THR 5 6.842 0.623 -0.148 37 H VAL 6 H VAL 6 7.416 -2.470 -2.493 38 HA VAL 6 HA VAL 6 9.315 -3.073 -4.681 39 HB VAL 6 HB VAL 6 7.751 -5.345 -3.759 40 1HG1 VAL 6 1HG1 VAL 6 10.341 -4.787 -4.827 41 2HG1 VAL 6 2HG1 VAL 6 10.498 -5.833 -3.415 42 3HG1 VAL 6 3HG1 VAL 6 9.461 -6.315 -4.758 43 1HG2 VAL 6 1HG2 VAL 6 9.106 -3.766 -1.697 44 2HG2 VAL 6 2HG2 VAL 6 7.830 -4.974 -1.556 45 3HG2 VAL 6 3HG2 VAL 6 9.513 -5.483 -1.704 46 H GLY 7 H GLY 7 7.847 -5.026 -5.883 47 1HA GLY 7 1HA GLY 7 6.250 -5.116 -7.585 48 2HA GLY 7 2HA GLY 7 5.190 -4.990 -6.207 49 H GLY 8 H GLY 8 3.671 -3.612 -6.492 50 1HA GLY 8 1HA GLY 8 2.443 -1.869 -7.384 51 2HA GLY 8 2HA GLY 8 3.676 -0.978 -6.525 52 H ASN 9 H ASN 9 3.800 0.758 -7.772 53 HA ASN 9 HA ASN 9 5.127 0.424 -10.323 54 1HB ASN 9 1HB ASN 9 3.650 2.049 -11.484 55 2HB ASN 9 2HB ASN 9 2.866 0.536 -11.104 56 1HD2 ASN 9 1HD2 ASN 9 1.531 3.005 -8.337 57 2HD2 ASN 9 2HD2 ASN 9 3.077 2.234 -8.313 58 H SER 10 H SER 10 4.977 1.773 -7.404 59 HA SER 10 HA SER 10 6.042 4.375 -8.100 60 1HB SER 10 1HB SER 10 5.725 3.173 -5.346 61 2HB SER 10 2HB SER 10 5.817 4.877 -5.781 62 HG SER 10 HG SER 10 3.653 4.103 -5.344 63 H GLY 11 H GLY 11 7.055 1.731 -5.910 64 1HA GLY 11 1HA GLY 11 9.121 0.710 -5.687 65 2HA GLY 11 2HA GLY 11 9.691 1.649 -7.060 66 H GLY 12 H GLY 12 10.144 3.973 -6.626 67 1HA GLY 12 1HA GLY 12 11.886 4.172 -4.365 68 2HA GLY 12 2HA GLY 12 11.566 5.432 -5.548 69 H ALA 13 H ALA 13 8.576 4.785 -4.724 70 HA ALA 13 HA ALA 13 8.555 6.863 -2.682 71 1HB ALA 13 1HB ALA 13 7.089 6.917 -4.758 72 2HB ALA 13 2HB ALA 13 6.129 5.657 -3.983 73 3HB ALA 13 3HB ALA 13 6.296 7.239 -3.216 74 HA PRO 14 HA PRO 14 7.644 3.904 0.484 75 1HB PRO 14 1HB PRO 14 7.272 5.643 2.510 76 2HB PRO 14 2HB PRO 14 8.863 5.368 1.791 77 1HG PRO 14 1HG PRO 14 7.011 7.669 1.490 78 2HG PRO 14 2HG PRO 14 8.778 7.627 1.410 79 1HD PRO 14 1HD PRO 14 6.981 7.680 -0.773 80 2HD PRO 14 2HD PRO 14 8.733 7.411 -0.842 81 H CYS 15 H CYS 15 5.907 3.415 2.114 82 HA CYS 15 HA CYS 15 3.315 3.856 0.926 83 1HB CYS 15 1HB CYS 15 3.590 2.603 3.626 84 2HB CYS 15 2HB CYS 15 2.537 2.161 2.290 85 H VAL 16 H VAL 16 1.656 5.122 1.745 86 HA VAL 16 HA VAL 16 2.374 6.883 3.996 87 HB VAL 16 HB VAL 16 0.325 7.360 1.824 88 1HG1 VAL 16 1HG1 VAL 16 0.045 8.354 4.234 89 2HG1 VAL 16 2HG1 VAL 16 1.296 9.474 3.694 90 3HG1 VAL 16 3HG1 VAL 16 -0.229 9.363 2.812 91 1HG2 VAL 16 1HG2 VAL 16 3.162 7.850 1.935 92 2HG2 VAL 16 2HG2 VAL 16 2.041 8.052 0.589 93 3HG2 VAL 16 3HG2 VAL 16 2.264 9.357 1.754 94 H PHE 17 H PHE 17 1.481 6.215 5.857 95 HA PHE 17 HA PHE 17 -1.190 4.993 5.754 96 1HB PHE 17 1HB PHE 17 1.067 4.614 7.727 97 2HB PHE 17 2HB PHE 17 -0.545 3.968 7.949 98 HD1 PHE 17 1HD PHE 17 -0.456 3.584 4.666 99 HD2 PHE 17 2HD PHE 17 1.673 2.205 8.072 100 HE1 PHE 17 1HE PHE 17 0.239 1.584 3.416 101 HE2 PHE 17 2HE PHE 17 2.381 0.208 6.847 102 HZ PHE 17 HZ PHE 17 1.672 -0.137 4.498 103 HA PRO 18 HA PRO 18 -2.667 4.425 6.992 104 1HB PRO 18 1HB PRO 18 -5.222 5.506 7.580 105 2HB PRO 18 2HB PRO 18 -4.286 4.384 8.572 106 1HG PRO 18 1HG PRO 18 -4.902 7.018 9.247 107 2HG PRO 18 2HG PRO 18 -3.619 6.043 9.983 108 1HD PRO 18 1HD PRO 18 -3.433 8.127 7.842 109 2HD PRO 18 2HD PRO 18 -2.309 7.766 9.176 110 H PHE 19 H PHE 19 -3.435 3.896 5.003 111 HA PHE 19 HA PHE 19 -4.353 6.152 3.352 112 1HB PHE 19 1HB PHE 19 -3.798 4.884 1.367 113 2HB PHE 19 2HB PHE 19 -2.401 4.945 2.426 114 HD1 PHE 19 1HD PHE 19 -1.785 2.891 3.731 115 HD2 PHE 19 2HD PHE 19 -4.725 2.848 0.657 116 HE1 PHE 19 1HE PHE 19 -1.529 0.455 3.525 117 HE2 PHE 19 2HE PHE 19 -4.475 0.409 0.448 118 HZ PHE 19 HZ PHE 19 -2.871 -0.791 1.881 119 H THR 20 H THR 20 -5.871 5.087 1.445 120 HA THR 20 HA THR 20 -7.860 3.453 2.858 121 HB THR 20 HB THR 20 -8.496 5.932 1.232 122 HG1 THR 20 1HG THR 20 -7.593 6.500 3.214 123 1HG2 THR 20 1HG2 THR 20 -10.685 5.537 2.708 124 2HG2 THR 20 2HG2 THR 20 -10.489 4.909 1.071 125 3HG2 THR 20 3HG2 THR 20 -10.193 3.861 2.459 126 H PHE 21 H PHE 21 -8.533 1.806 1.750 127 HA PHE 21 HA PHE 21 -8.558 1.899 -1.193 128 1HB PHE 21 1HB PHE 21 -6.522 0.639 -0.194 129 2HB PHE 21 2HB PHE 21 -7.689 -0.553 0.328 130 HD1 PHE 21 1HD PHE 21 -8.313 1.086 -2.885 131 HD2 PHE 21 2HD PHE 21 -6.502 -2.222 -0.929 132 HE1 PHE 21 1HE PHE 21 -8.095 -0.089 -5.031 133 HE2 PHE 21 2HE PHE 21 -6.293 -3.399 -3.054 134 HZ PHE 21 HZ PHE 21 -7.078 -2.326 -5.135 135 H LEU 22 H LEU 22 -10.270 0.796 -2.078 136 HA LEU 22 HA LEU 22 -12.428 0.261 -2.229 137 1HB LEU 22 1HB LEU 22 -11.116 -1.793 -0.573 138 2HB LEU 22 2HB LEU 22 -12.688 -2.061 -1.313 139 HG LEU 22 HG LEU 22 -11.603 -2.746 -3.128 140 1HD1 LEU 22 1HD1 LEU 22 -11.428 -0.089 -3.453 141 2HD1 LEU 22 2HD1 LEU 22 -9.786 -0.668 -3.740 142 3HD1 LEU 22 3HD1 LEU 22 -11.129 -1.322 -4.678 143 1HD2 LEU 22 1HD2 LEU 22 -9.782 -3.024 -1.262 144 2HD2 LEU 22 2HD2 LEU 22 -9.604 -3.592 -2.923 145 3HD2 LEU 22 3HD2 LEU 22 -8.915 -2.042 -2.447 146 H GLY 23 H GLY 23 -12.159 2.175 -0.155 147 1HA GLY 23 1HA GLY 23 -13.738 3.112 1.270 148 2HA GLY 23 2HA GLY 23 -14.596 1.585 1.275 149 H ASN 24 H ASN 24 -11.472 0.763 2.085 150 HA ASN 24 HA ASN 24 -12.152 0.957 4.947 151 1HB ASN 24 1HB ASN 24 -10.278 -0.943 3.523 152 2HB ASN 24 2HB ASN 24 -10.652 -0.960 5.239 153 1HD2 ASN 24 1HD2 ASN 24 -12.963 -2.877 2.648 154 2HD2 ASN 24 2HD2 ASN 24 -11.417 -2.214 2.277 155 H LYS 25 H LYS 25 -10.459 1.388 6.462 156 HA LYS 25 HA LYS 25 -8.459 3.225 5.444 157 1HB LYS 25 1HB LYS 25 -9.345 2.530 8.251 158 2HB LYS 25 2HB LYS 25 -8.293 3.841 7.797 159 1HG LYS 25 1HG LYS 25 -10.024 5.069 6.808 160 2HG LYS 25 2HG LYS 25 -11.086 3.661 6.745 161 1HD LYS 25 1HD LYS 25 -11.976 4.790 8.535 162 2HD LYS 25 2HD LYS 25 -10.836 3.729 9.353 163 1HE LYS 25 1HE LYS 25 -10.372 6.621 8.634 164 2HE LYS 25 2HE LYS 25 -10.727 5.999 10.243 165 1HZ LYS 25 1HZ LYS 25 -8.624 4.628 9.946 166 2HZ LYS 25 2HZ LYS 25 -8.272 5.643 8.628 167 3HZ LYS 25 3HZ LYS 25 -8.430 6.302 10.181 168 H TYR 26 H TYR 26 -6.339 2.575 5.280 169 HA TYR 26 HA TYR 26 -5.648 0.075 6.648 170 1HB TYR 26 1HB TYR 26 -4.502 1.238 4.117 171 2HB TYR 26 2HB TYR 26 -4.001 -0.265 4.872 172 HD1 TYR 26 1HD TYR 26 -7.000 1.409 3.452 173 HD2 TYR 26 2HD TYR 26 -5.016 -2.249 4.254 174 HE1 TYR 26 1HE TYR 26 -8.709 0.212 2.191 175 HE2 TYR 26 2HE TYR 26 -6.714 -3.463 2.980 176 HH TYR 26 HH TYR 26 -9.203 -1.775 1.169 177 H GLU 27 H GLU 27 -4.505 0.390 8.323 178 HA GLU 27 HA GLU 27 -2.667 2.640 8.537 179 1HB GLU 27 1HB GLU 27 -3.768 0.677 10.530 180 2HB GLU 27 2HB GLU 27 -2.570 1.881 10.929 181 1HG GLU 27 1HG GLU 27 -4.088 3.661 10.463 182 2HG GLU 27 2HG GLU 27 -5.262 2.538 9.777 183 H SER 28 H SER 28 -2.626 -0.547 7.663 184 HA SER 28 HA SER 28 0.261 -0.748 8.055 185 1HB SER 28 1HB SER 28 -0.251 -3.256 8.434 186 2HB SER 28 2HB SER 28 -0.572 -2.156 9.776 187 HG SER 28 HG SER 28 -2.262 -3.825 8.807 188 H CYS 29 H CYS 29 0.741 -3.067 6.667 189 HA CYS 29 HA CYS 29 0.141 -2.281 3.997 190 1HB CYS 29 1HB CYS 29 1.404 -4.784 5.100 191 2HB CYS 29 2HB CYS 29 1.151 -4.523 3.392 192 H THR 30 H THR 30 -0.803 -3.933 2.456 193 HA THR 30 HA THR 30 -2.997 -5.460 3.649 194 HB THR 30 HB THR 30 -3.939 -3.184 3.174 195 HG1 THR 30 1HG THR 30 -5.445 -4.714 2.946 196 1HG2 THR 30 1HG2 THR 30 -3.595 -3.723 0.257 197 2HG2 THR 30 2HG2 THR 30 -3.969 -2.212 1.085 198 3HG2 THR 30 3HG2 THR 30 -2.337 -2.877 1.154 199 H SER 31 H SER 31 -4.167 -6.696 1.983 200 HA SER 31 HA SER 31 -2.421 -7.429 -0.265 201 1HB SER 31 1HB SER 31 -3.317 -9.749 -0.034 202 2HB SER 31 2HB SER 31 -2.382 -9.237 1.371 203 HG SER 31 HG SER 31 -4.460 -8.686 2.350 204 H ALA 32 H ALA 32 -4.836 -5.666 0.450 205 HA ALA 32 HA ALA 32 -7.156 -6.513 -0.814 206 1HB ALA 32 1HB ALA 32 -5.977 -3.816 -0.242 207 2HB ALA 32 2HB ALA 32 -7.450 -3.941 -1.201 208 3HB ALA 32 3HB ALA 32 -7.418 -4.568 0.447 209 H GLY 33 H GLY 33 -7.900 -6.558 -2.839 210 1HA GLY 33 1HA GLY 33 -7.951 -6.276 -5.135 211 2HA GLY 33 2HA GLY 33 -6.587 -5.173 -4.991 212 H ARG 34 H ARG 34 -5.423 -7.653 -3.350 213 HA ARG 34 HA ARG 34 -4.348 -8.971 -5.748 214 1HB ARG 34 1HB ARG 34 -3.083 -8.774 -3.008 215 2HB ARG 34 2HB ARG 34 -2.370 -9.477 -4.432 216 1HG ARG 34 1HG ARG 34 -2.749 -7.042 -5.394 217 2HG ARG 34 2HG ARG 34 -2.671 -6.638 -3.683 218 1HD ARG 34 1HD ARG 34 -0.469 -6.518 -4.773 219 2HD ARG 34 2HD ARG 34 -0.510 -7.718 -3.478 220 HE ARG 34 HE ARG 34 -0.086 -9.336 -5.022 221 1HH1 ARG 34 1HH1 ARG 34 -1.166 -6.458 -6.677 222 2HH1 ARG 34 2HH1 ARG 34 -0.957 -7.117 -8.268 223 1HH2 ARG 34 1HH2 ARG 34 0.232 -10.222 -7.098 224 2HH2 ARG 34 2HH2 ARG 34 -0.160 -9.282 -8.504 225 H SER 35 H SER 35 -4.500 -9.752 -2.316 226 HA SER 35 HA SER 35 -5.056 -11.600 -1.147 227 1HB SER 35 1HB SER 35 -7.088 -11.896 -3.366 228 2HB SER 35 2HB SER 35 -7.125 -12.772 -1.833 229 HG SER 35 HG SER 35 -8.445 -10.922 -1.740 230 H ASP 36 H ASP 36 -3.002 -11.818 -3.254 231 HA ASP 36 HA ASP 36 -3.263 -14.617 -3.996 232 1HB ASP 36 1HB ASP 36 -1.266 -14.162 -5.434 233 2HB ASP 36 2HB ASP 36 -2.696 -13.267 -5.861 234 H GLY 37 H GLY 37 -0.720 -12.496 -2.910 235 1HA GLY 37 1HA GLY 37 -0.047 -14.033 -0.648 236 2HA GLY 37 2HA GLY 37 1.062 -14.393 -1.958 237 H LYS 38 H LYS 38 1.432 -11.948 -3.140 238 HA LYS 38 HA LYS 38 3.202 -10.700 -1.308 239 1HB LYS 38 1HB LYS 38 2.306 -9.526 -3.924 240 2HB LYS 38 2HB LYS 38 3.857 -9.341 -3.121 241 1HG LYS 38 1HG LYS 38 4.474 -10.819 -4.699 242 2HG LYS 38 2HG LYS 38 3.959 -11.958 -3.474 243 1HD LYS 38 1HD LYS 38 1.841 -12.274 -4.569 244 2HD LYS 38 2HD LYS 38 2.194 -10.974 -5.714 245 1HE LYS 38 1HE LYS 38 3.710 -13.574 -5.468 246 2HE LYS 38 2HE LYS 38 2.532 -13.185 -6.722 247 1HZ LYS 38 1HZ LYS 38 3.970 -11.365 -7.441 248 2HZ LYS 38 2HZ LYS 38 5.112 -11.774 -6.254 249 3HZ LYS 38 3HZ LYS 38 4.783 -12.855 -7.520 250 H MET 39 H MET 39 2.438 -9.455 0.321 251 HA MET 39 HA MET 39 0.041 -7.882 -0.038 252 1HB MET 39 1HB MET 39 2.010 -7.970 2.266 253 2HB MET 39 2HB MET 39 0.442 -7.177 2.281 254 1HG MET 39 1HG MET 39 -0.632 -9.365 1.899 255 2HG MET 39 2HG MET 39 0.948 -10.128 2.010 256 1HE MET 39 1HE MET 39 -1.255 -7.595 3.515 257 2HE MET 39 2HE MET 39 -1.853 -8.438 4.943 258 3HE MET 39 3HE MET 39 -0.497 -7.319 5.084 259 H TRP 40 H TRP 40 -0.016 -5.595 -0.031 260 HA TRP 40 HA TRP 40 2.563 -4.305 -0.625 261 1HB TRP 40 1HB TRP 40 1.381 -2.945 -2.336 262 2HB TRP 40 2HB TRP 40 1.398 -4.662 -2.731 263 HD1 TRP 40 HD1 TRP 40 -1.051 -5.978 -2.008 264 HE1 TRP 40 1HE TRP 40 -3.445 -5.070 -2.228 265 HE3 TRP 40 3HE TRP 40 0.000 -1.007 -2.407 266 HZ2 TRP 40 2HZ TRP 40 -4.708 -2.586 -2.502 267 HZ3 TRP 40 3HZ TRP 40 -1.869 0.574 -2.623 268 HH2 TRP 40 HH2 TRP 40 -4.175 -0.202 -2.679 269 H CYS 41 H CYS 41 1.629 -1.769 -1.048 270 HA CYS 41 HA CYS 41 -0.033 -0.840 1.118 271 1HB CYS 41 1HB CYS 41 1.736 0.550 2.156 272 2HB CYS 41 2HB CYS 41 2.092 -1.169 2.317 273 H ALA 42 H ALA 42 -0.678 1.354 0.733 274 HA ALA 42 HA ALA 42 -0.202 2.216 -1.981 275 1HB ALA 42 1HB ALA 42 -2.376 2.433 -0.453 276 2HB ALA 42 2HB ALA 42 -1.638 3.993 -0.097 277 3HB ALA 42 3HB ALA 42 -2.021 3.559 -1.764 278 H THR 43 H THR 43 0.885 4.050 -2.614 279 HA THR 43 HA THR 43 2.771 5.057 -0.619 280 HB THR 43 HB THR 43 4.070 5.834 -2.567 281 HG1 THR 43 1HG THR 43 2.635 6.234 -4.158 282 1HG2 THR 43 1HG2 THR 43 3.799 3.267 -3.668 283 2HG2 THR 43 2HG2 THR 43 4.979 3.812 -2.478 284 3HG2 THR 43 3HG2 THR 43 3.453 3.108 -1.947 285 H THR 44 H THR 44 -0.135 5.800 -1.219 286 HA THR 44 HA THR 44 0.275 8.694 -1.034 287 HB THR 44 HB THR 44 -1.865 8.972 -2.347 288 HG1 THR 44 1HG THR 44 -2.915 7.261 -2.909 289 1HG2 THR 44 1HG2 THR 44 -0.073 7.524 -4.197 290 2HG2 THR 44 2HG2 THR 44 -0.848 9.103 -4.364 291 3HG2 THR 44 3HG2 THR 44 0.587 8.924 -3.347 292 H ALA 45 H ALA 45 -1.526 9.771 0.113 293 HA ALA 45 HA ALA 45 -2.304 8.340 2.434 294 1HB ALA 45 1HB ALA 45 -2.306 11.034 1.608 295 2HB ALA 45 2HB ALA 45 -3.967 10.643 2.063 296 3HB ALA 45 3HB ALA 45 -2.654 10.391 3.213 297 H ASN 46 H ASN 46 -3.795 8.820 -0.649 298 HA ASN 46 HA ASN 46 -6.024 7.148 0.240 299 1HB ASN 46 1HB ASN 46 -6.758 9.557 0.017 300 2HB ASN 46 2HB ASN 46 -6.344 9.456 -1.693 301 1HD2 ASN 46 1HD2 ASN 46 -9.857 8.215 -0.373 302 2HD2 ASN 46 2HD2 ASN 46 -8.717 9.103 0.568 303 H TYR 47 H TYR 47 -5.916 5.323 -0.887 304 HA TYR 47 HA TYR 47 -4.365 5.254 -3.323 305 1HB TYR 47 1HB TYR 47 -4.146 3.452 -1.614 306 2HB TYR 47 2HB TYR 47 -5.804 2.961 -1.980 307 HD1 TYR 47 1HD TYR 47 -2.511 3.522 -3.613 308 HD2 TYR 47 2HD TYR 47 -6.200 1.422 -3.674 309 HE1 TYR 47 1HE TYR 47 -1.701 2.181 -5.499 310 HE2 TYR 47 2HE TYR 47 -5.403 0.067 -5.557 311 HH TYR 47 HH TYR 47 -2.145 0.434 -6.853 312 H ASP 48 H ASP 48 -7.766 4.929 -2.429 313 HA ASP 48 HA ASP 48 -8.759 3.807 -4.750 314 1HB ASP 48 1HB ASP 48 -9.967 5.786 -2.835 315 2HB ASP 48 2HB ASP 48 -10.871 5.150 -4.204 316 H ASP 49 H ASP 49 -7.904 7.143 -4.115 317 HA ASP 49 HA ASP 49 -8.869 8.005 -6.703 318 1HB ASP 49 1HB ASP 49 -7.722 9.391 -4.317 319 2HB ASP 49 2HB ASP 49 -7.748 10.215 -5.871 320 H ASP 50 H ASP 50 -5.724 8.481 -5.080 321 HA ASP 50 HA ASP 50 -4.367 9.084 -7.493 322 1HB ASP 50 1HB ASP 50 -3.330 8.410 -4.743 323 2HB ASP 50 2HB ASP 50 -2.299 8.915 -6.075 324 H ARG 51 H ARG 51 -5.034 6.061 -6.016 325 HA ARG 51 HA ARG 51 -4.214 3.974 -6.225 326 1HB ARG 51 1HB ARG 51 -4.466 4.768 -9.095 327 2HB ARG 51 2HB ARG 51 -4.574 3.136 -8.445 328 1HG ARG 51 1HG ARG 51 -6.391 4.317 -6.908 329 2HG ARG 51 2HG ARG 51 -6.513 5.354 -8.331 330 1HD ARG 51 1HD ARG 51 -6.791 3.327 -9.698 331 2HD ARG 51 2HD ARG 51 -6.823 2.383 -8.205 332 HE ARG 51 HE ARG 51 -8.738 4.271 -7.817 333 1HH1 ARG 51 1HH1 ARG 51 -8.137 1.967 -10.370 334 2HH1 ARG 51 2HH1 ARG 51 -9.812 1.736 -10.737 335 1HH2 ARG 51 1HH2 ARG 51 -10.946 4.016 -8.333 336 2HH2 ARG 51 2HH2 ARG 51 -11.416 2.905 -9.580 337 H LYS 52 H LYS 52 -2.028 5.192 -5.507 338 HA LYS 52 HA LYS 52 -0.011 4.104 -7.327 339 1HB LYS 52 1HB LYS 52 0.212 6.414 -5.390 340 2HB LYS 52 2HB LYS 52 1.613 5.639 -6.118 341 1HG LYS 52 1HG LYS 52 1.026 6.342 -8.276 342 2HG LYS 52 2HG LYS 52 -0.601 6.801 -7.772 343 1HD LYS 52 1HD LYS 52 0.445 8.544 -6.305 344 2HD LYS 52 2HD LYS 52 2.002 8.126 -7.021 345 1HE LYS 52 1HE LYS 52 1.221 8.769 -9.211 346 2HE LYS 52 2HE LYS 52 -0.397 9.078 -8.580 347 1HZ LYS 52 1HZ LYS 52 1.385 10.588 -7.050 348 2HZ LYS 52 2HZ LYS 52 1.828 10.825 -8.673 349 3HZ LYS 52 3HZ LYS 52 0.234 11.151 -8.163 350 H TRP 53 H TRP 53 0.824 2.306 -6.635 351 HA TRP 53 HA TRP 53 0.859 1.775 -3.754 352 1HB TRP 53 1HB TRP 53 0.068 -0.442 -4.195 353 2HB TRP 53 2HB TRP 53 -1.039 0.720 -4.841 354 HD1 TRP 53 HD1 TRP 53 -0.339 1.220 -7.715 355 HE1 TRP 53 1HE TRP 53 -0.025 -0.667 -9.444 356 HE3 TRP 53 3HE TRP 53 0.503 -2.519 -4.476 357 HZ2 TRP 53 2HZ TRP 53 0.499 -3.486 -9.373 358 HZ3 TRP 53 3HZ TRP 53 0.891 -4.815 -5.329 359 HH2 TRP 53 HH2 TRP 53 0.892 -5.283 -7.739 360 H GLY 54 H GLY 54 2.017 -0.200 -3.222 361 1HA GLY 54 1HA GLY 54 4.181 -1.122 -4.843 362 2HA GLY 54 2HA GLY 54 4.724 -0.025 -3.574 363 H PHE 55 H PHE 55 5.048 -3.009 -3.976 364 HA PHE 55 HA PHE 55 3.507 -4.433 -2.141 365 1HB PHE 55 1HB PHE 55 6.273 -4.867 -3.242 366 2HB PHE 55 2HB PHE 55 5.539 -5.985 -2.109 367 HD1 PHE 55 1HD PHE 55 2.853 -4.828 -3.873 368 HD2 PHE 55 2HD PHE 55 6.320 -7.235 -4.412 369 HE1 PHE 55 1HE PHE 55 1.743 -6.014 -5.723 370 HE2 PHE 55 2HE PHE 55 5.207 -8.428 -6.262 371 HZ PHE 55 HZ PHE 55 2.916 -7.809 -6.924 372 H CYS 56 H CYS 56 3.973 -5.197 -0.042 373 HA CYS 56 HA CYS 56 4.977 -3.254 1.743 374 1HB CYS 56 1HB CYS 56 3.316 -5.253 2.139 375 2HB CYS 56 2HB CYS 56 4.784 -6.169 2.459 376 HA PRO 57 HA PRO 57 9.268 -4.152 1.136 377 1HB PRO 57 1HB PRO 57 10.337 -2.616 3.029 378 2HB PRO 57 2HB PRO 57 9.573 -1.924 1.585 379 1HG PRO 57 1HG PRO 57 8.374 -2.449 4.272 380 2HG PRO 57 2HG PRO 57 8.378 -0.913 3.382 381 1HD PRO 57 1HD PRO 57 6.253 -2.509 3.320 382 2HD PRO 57 2HD PRO 57 6.801 -1.707 1.829 383 H ASP 58 H ASP 58 7.524 -5.359 3.424 384 HA ASP 58 HA ASP 58 9.575 -7.183 4.319 385 1HB ASP 58 1HB ASP 58 9.467 -5.115 5.905 386 2HB ASP 58 2HB ASP 58 7.980 -5.854 6.488 387 H GLN 59 H GLN 59 8.661 -9.122 4.033 388 HA GLN 59 HA GLN 59 5.755 -9.360 4.354 389 1HB GLN 59 1HB GLN 59 7.751 -11.198 3.028 390 2HB GLN 59 2HB GLN 59 6.029 -11.520 3.152 391 1HG GLN 59 1HG GLN 59 5.562 -9.525 1.841 392 2HG GLN 59 2HG GLN 59 7.289 -9.193 1.727 393 1HE2 GLN 59 1HE2 GLN 59 5.523 -11.537 -0.936 394 2HE2 GLN 59 2HE2 GLN 59 4.698 -10.535 0.206 395 H GLY 60 H GLY 60 5.043 -10.097 6.226 396 1HA GLY 60 1HA GLY 60 6.460 -12.318 7.510 397 2HA GLY 60 2HA GLY 60 6.182 -10.859 8.451 Start of MODEL 19 1 H SER 1 1H SER 1 9.066 6.777 8.576 2 HA SER 1 HA SER 1 11.087 7.962 7.976 3 1HB SER 1 1HB SER 1 12.520 5.914 8.243 4 2HB SER 1 2HB SER 1 11.191 6.016 9.397 5 HG SER 1 HG SER 1 11.032 3.990 8.663 6 H TRP 2 H TRP 2 13.172 6.485 6.675 7 HA TRP 2 HA TRP 2 12.579 7.278 3.944 8 1HB TRP 2 1HB TRP 2 15.021 7.033 3.559 9 2HB TRP 2 2HB TRP 2 14.619 8.174 4.839 10 HD1 TRP 2 HD1 TRP 2 15.661 4.412 4.633 11 HE1 TRP 2 1HE TRP 2 17.290 3.945 6.579 12 HE3 TRP 2 3HE TRP 2 15.593 9.015 6.878 13 HZ2 TRP 2 2HZ TRP 2 18.371 5.341 8.786 14 HZ3 TRP 2 3HZ TRP 2 16.940 9.359 8.906 15 HH2 TRP 2 HH2 TRP 2 18.299 7.558 9.840 16 H MET 3 H MET 3 11.757 4.618 5.315 17 HA MET 3 HA MET 3 13.089 2.680 3.649 18 1HB MET 3 1HB MET 3 11.585 1.047 4.703 19 2HB MET 3 2HB MET 3 12.429 2.013 5.896 20 1HG MET 3 1HG MET 3 10.455 3.302 6.337 21 2HG MET 3 2HG MET 3 9.603 2.530 5.000 22 1HE MET 3 1HE MET 3 12.055 1.044 7.523 23 2HE MET 3 2HE MET 3 11.063 1.808 8.764 24 3HE MET 3 3HE MET 3 11.061 0.054 8.593 25 H SER 4 H SER 4 12.419 1.972 1.712 26 HA SER 4 HA SER 4 9.978 3.165 0.635 27 1HB SER 4 1HB SER 4 12.013 1.558 -0.904 28 2HB SER 4 2HB SER 4 10.862 2.750 -1.522 29 HG SER 4 HG SER 4 12.052 4.345 -0.302 30 H THR 5 H THR 5 8.764 1.773 -0.977 31 HA THR 5 HA THR 5 8.018 -0.695 0.357 32 HB THR 5 HB THR 5 6.150 -0.656 -1.307 33 HG1 THR 5 1HG THR 5 7.695 1.044 -2.543 34 1HG2 THR 5 1HG2 THR 5 6.068 2.055 -0.175 35 2HG2 THR 5 2HG2 THR 5 4.867 0.764 -0.147 36 3HG2 THR 5 3HG2 THR 5 6.237 0.712 0.962 37 H VAL 6 H VAL 6 7.202 -2.395 -1.241 38 HA VAL 6 HA VAL 6 9.257 -2.981 -3.286 39 HB VAL 6 HB VAL 6 7.650 -5.261 -2.466 40 1HG1 VAL 6 1HG1 VAL 6 9.909 -5.073 -3.731 41 2HG1 VAL 6 2HG1 VAL 6 10.605 -5.085 -2.110 42 3HG1 VAL 6 3HG1 VAL 6 9.615 -6.439 -2.653 43 1HG2 VAL 6 1HG2 VAL 6 8.039 -3.716 -0.312 44 2HG2 VAL 6 2HG2 VAL 6 8.001 -5.479 -0.249 45 3HG2 VAL 6 3HG2 VAL 6 9.547 -4.629 -0.297 46 H GLY 7 H GLY 7 7.855 -4.972 -4.548 47 1HA GLY 7 1HA GLY 7 6.368 -5.052 -6.359 48 2HA GLY 7 2HA GLY 7 5.240 -4.927 -5.050 49 H GLY 8 H GLY 8 3.695 -3.643 -5.535 50 1HA GLY 8 1HA GLY 8 2.469 -1.937 -6.446 51 2HA GLY 8 2HA GLY 8 3.657 -0.975 -5.594 52 H ASN 9 H ASN 9 3.514 0.696 -6.977 53 HA ASN 9 HA ASN 9 5.032 0.386 -9.439 54 1HB ASN 9 1HB ASN 9 3.429 1.788 -10.732 55 2HB ASN 9 2HB ASN 9 2.805 0.210 -10.307 56 1HD2 ASN 9 1HD2 ASN 9 1.083 2.599 -7.684 57 2HD2 ASN 9 2HD2 ASN 9 2.704 2.009 -7.590 58 H SER 10 H SER 10 4.776 1.797 -6.599 59 HA SER 10 HA SER 10 5.325 4.536 -7.319 60 1HB SER 10 1HB SER 10 5.573 3.195 -4.612 61 2HB SER 10 2HB SER 10 5.421 4.921 -4.944 62 HG SER 10 HG SER 10 3.425 3.907 -4.309 63 H GLY 11 H GLY 11 7.075 1.767 -5.948 64 1HA GLY 11 1HA GLY 11 9.311 1.221 -6.387 65 2HA GLY 11 2HA GLY 11 9.550 2.827 -7.056 66 H GLY 12 H GLY 12 10.498 4.342 -5.833 67 1HA GLY 12 1HA GLY 12 11.475 3.535 -3.226 68 2HA GLY 12 2HA GLY 12 11.944 4.972 -4.115 69 H ALA 13 H ALA 13 8.600 4.109 -3.394 70 HA ALA 13 HA ALA 13 8.474 6.522 -1.712 71 1HB ALA 13 1HB ALA 13 6.802 5.553 -3.804 72 2HB ALA 13 2HB ALA 13 5.874 5.550 -2.305 73 3HB ALA 13 3HB ALA 13 6.642 7.035 -2.863 74 HA PRO 14 HA PRO 14 7.610 3.799 1.697 75 1HB PRO 14 1HB PRO 14 7.056 5.646 3.566 76 2HB PRO 14 2HB PRO 14 8.683 5.462 2.902 77 1HG PRO 14 1HG PRO 14 6.644 7.553 2.366 78 2HG PRO 14 2HG PRO 14 8.410 7.677 2.357 79 1HD PRO 14 1HD PRO 14 6.717 7.395 0.111 80 2HD PRO 14 2HD PRO 14 8.481 7.269 0.126 81 H CYS 15 H CYS 15 5.866 3.293 3.293 82 HA CYS 15 HA CYS 15 3.252 3.533 2.041 83 1HB CYS 15 1HB CYS 15 3.699 2.332 4.769 84 2HB CYS 15 2HB CYS 15 2.535 1.860 3.542 85 H VAL 16 H VAL 16 1.699 4.989 2.679 86 HA VAL 16 HA VAL 16 2.314 6.726 4.966 87 HB VAL 16 HB VAL 16 0.272 7.036 2.759 88 1HG1 VAL 16 1HG1 VAL 16 -0.507 8.029 4.862 89 2HG1 VAL 16 2HG1 VAL 16 0.988 8.962 4.969 90 3HG1 VAL 16 3HG1 VAL 16 -0.145 9.259 3.650 91 1HG2 VAL 16 1HG2 VAL 16 3.051 7.702 2.944 92 2HG2 VAL 16 2HG2 VAL 16 1.942 7.909 1.588 93 3HG2 VAL 16 3HG2 VAL 16 2.091 9.176 2.808 94 H PHE 17 H PHE 17 1.484 6.086 6.852 95 HA PHE 17 HA PHE 17 -1.105 4.707 6.865 96 1HB PHE 17 1HB PHE 17 1.142 4.750 8.892 97 2HB PHE 17 2HB PHE 17 -0.414 3.993 9.168 98 HD1 PHE 17 1HD PHE 17 -0.145 3.334 5.915 99 HD2 PHE 17 2HD PHE 17 1.861 2.357 9.532 100 HE1 PHE 17 1HE PHE 17 0.725 1.293 4.874 101 HE2 PHE 17 2HE PHE 17 2.736 0.300 8.501 102 HZ PHE 17 HZ PHE 17 2.180 -0.251 6.146 103 HA PRO 18 HA PRO 18 -2.619 4.242 7.972 104 1HB PRO 18 1HB PRO 18 -5.257 5.142 8.258 105 2HB PRO 18 2HB PRO 18 -4.298 4.317 9.483 106 1HG PRO 18 1HG PRO 18 -5.203 7.001 9.536 107 2HG PRO 18 2HG PRO 18 -4.100 6.218 10.681 108 1HD PRO 18 1HD PRO 18 -3.504 8.033 8.416 109 2HD PRO 18 2HD PRO 18 -2.576 7.727 9.897 110 H PHE 19 H PHE 19 -3.055 3.533 5.953 111 HA PHE 19 HA PHE 19 -4.031 5.559 4.055 112 1HB PHE 19 1HB PHE 19 -3.270 4.147 2.249 113 2HB PHE 19 2HB PHE 19 -1.944 4.436 3.368 114 HD1 PHE 19 1HD PHE 19 -1.517 2.563 5.116 115 HD2 PHE 19 2HD PHE 19 -3.752 2.016 1.545 116 HE1 PHE 19 1HE PHE 19 -1.112 0.135 5.228 117 HE2 PHE 19 2HE PHE 19 -3.345 -0.397 1.641 118 HZ PHE 19 HZ PHE 19 -2.024 -1.343 3.486 119 H THR 20 H THR 20 -6.022 5.449 3.329 120 HA THR 20 HA THR 20 -7.643 3.184 4.175 121 HB THR 20 HB THR 20 -8.434 5.841 2.921 122 HG1 THR 20 1HG THR 20 -8.503 6.591 4.897 123 1HG2 THR 20 1HG2 THR 20 -10.641 5.161 4.178 124 2HG2 THR 20 2HG2 THR 20 -10.333 4.655 2.515 125 3HG2 THR 20 3HG2 THR 20 -10.052 3.533 3.848 126 H PHE 21 H PHE 21 -8.135 1.577 2.894 127 HA PHE 21 HA PHE 21 -7.937 1.995 -0.024 128 1HB PHE 21 1HB PHE 21 -6.301 0.347 0.948 129 2HB PHE 21 2HB PHE 21 -7.669 -0.595 1.493 130 HD1 PHE 21 1HD PHE 21 -5.923 0.609 -1.520 131 HD2 PHE 21 2HD PHE 21 -8.865 -2.049 0.017 132 HE1 PHE 21 1HE PHE 21 -5.904 -0.621 -3.640 133 HE2 PHE 21 2HE PHE 21 -8.851 -3.279 -2.098 134 HZ PHE 21 HZ PHE 21 -7.381 -2.579 -3.935 135 H LEU 22 H LEU 22 -9.652 1.650 -1.157 136 HA LEU 22 HA LEU 22 -11.858 1.527 -1.595 137 1HB LEU 22 1HB LEU 22 -10.619 -1.057 -0.928 138 2HB LEU 22 2HB LEU 22 -12.277 -1.032 -1.496 139 HG LEU 22 HG LEU 22 -10.602 -1.430 -3.282 140 1HD1 LEU 22 1HD1 LEU 22 -12.811 -0.383 -3.617 141 2HD1 LEU 22 2HD1 LEU 22 -11.990 1.180 -3.570 142 3HD1 LEU 22 3HD1 LEU 22 -11.600 0.010 -4.835 143 1HD2 LEU 22 1HD2 LEU 22 -8.819 0.021 -2.462 144 2HD2 LEU 22 2HD2 LEU 22 -9.276 0.383 -4.126 145 3HD2 LEU 22 3HD2 LEU 22 -9.832 1.424 -2.814 146 H GLY 23 H GLY 23 -11.753 2.584 0.886 147 1HA GLY 23 1HA GLY 23 -13.676 3.051 2.240 148 2HA GLY 23 2HA GLY 23 -14.129 1.367 2.117 149 H ASN 24 H ASN 24 -11.173 0.616 2.957 150 HA ASN 24 HA ASN 24 -11.752 1.108 5.803 151 1HB ASN 24 1HB ASN 24 -10.241 -1.145 4.494 152 2HB ASN 24 2HB ASN 24 -10.485 -0.956 6.225 153 1HD2 ASN 24 1HD2 ASN 24 -13.274 -2.636 3.920 154 2HD2 ASN 24 2HD2 ASN 24 -11.717 -2.167 3.348 155 H LYS 25 H LYS 25 -10.308 2.082 7.092 156 HA LYS 25 HA LYS 25 -7.944 3.234 5.988 157 1HB LYS 25 1HB LYS 25 -8.947 3.113 8.830 158 2HB LYS 25 2HB LYS 25 -7.768 4.221 8.179 159 1HG LYS 25 1HG LYS 25 -9.464 5.236 6.753 160 2HG LYS 25 2HG LYS 25 -10.662 4.110 7.399 161 1HD LYS 25 1HD LYS 25 -10.880 6.222 8.537 162 2HD LYS 25 2HD LYS 25 -10.229 5.028 9.661 163 1HE LYS 25 1HE LYS 25 -7.923 5.916 8.992 164 2HE LYS 25 2HE LYS 25 -8.789 7.270 8.269 165 1HZ LYS 25 1HZ LYS 25 -9.853 7.562 10.526 166 2HZ LYS 25 2HZ LYS 25 -8.690 6.476 11.123 167 3HZ LYS 25 3HZ LYS 25 -8.198 7.944 10.423 168 H TYR 26 H TYR 26 -5.937 2.298 6.043 169 HA TYR 26 HA TYR 26 -5.634 -0.023 7.799 170 1HB TYR 26 1HB TYR 26 -4.151 0.636 5.259 171 2HB TYR 26 2HB TYR 26 -3.936 -0.807 6.238 172 HD1 TYR 26 1HD TYR 26 -6.925 -1.251 6.820 173 HD2 TYR 26 2HD TYR 26 -4.796 -0.407 3.242 174 HE1 TYR 26 1HE TYR 26 -8.635 -2.429 5.521 175 HE2 TYR 26 2HE TYR 26 -6.500 -1.580 1.941 176 HH TYR 26 HH TYR 26 -8.544 -3.698 3.079 177 H GLU 27 H GLU 27 -4.453 0.210 9.449 178 HA GLU 27 HA GLU 27 -2.579 2.404 9.742 179 1HB GLU 27 1HB GLU 27 -3.428 0.257 11.673 180 2HB GLU 27 2HB GLU 27 -2.568 1.724 12.061 181 1HG GLU 27 1HG GLU 27 -5.229 1.914 10.763 182 2HG GLU 27 2HG GLU 27 -5.125 1.538 12.478 183 H SER 28 H SER 28 -2.551 -0.814 8.811 184 HA SER 28 HA SER 28 0.350 -0.944 9.086 185 1HB SER 28 1HB SER 28 0.014 -3.422 9.520 186 2HB SER 28 2HB SER 28 -0.432 -2.366 10.854 187 HG SER 28 HG SER 28 -2.115 -3.718 9.019 188 H CYS 29 H CYS 29 0.794 -3.288 7.715 189 HA CYS 29 HA CYS 29 0.109 -2.512 5.058 190 1HB CYS 29 1HB CYS 29 1.318 -5.087 6.060 191 2HB CYS 29 2HB CYS 29 1.219 -4.602 4.383 192 H THR 30 H THR 30 -0.901 -4.104 3.544 193 HA THR 30 HA THR 30 -3.031 -5.692 4.775 194 HB THR 30 HB THR 30 -3.909 -3.360 4.366 195 HG1 THR 30 1HG THR 30 -5.485 -4.828 4.297 196 1HG2 THR 30 1HG2 THR 30 -4.273 -3.601 1.547 197 2HG2 THR 30 2HG2 THR 30 -3.553 -2.282 2.469 198 3HG2 THR 30 3HG2 THR 30 -2.550 -3.625 1.920 199 H SER 31 H SER 31 -4.281 -6.821 3.003 200 HA SER 31 HA SER 31 -2.555 -7.437 0.716 201 1HB SER 31 1HB SER 31 -3.306 -9.809 0.858 202 2HB SER 31 2HB SER 31 -2.378 -9.312 2.279 203 HG SER 31 HG SER 31 -4.601 -10.491 2.413 204 H ALA 32 H ALA 32 -4.835 -5.672 1.384 205 HA ALA 32 HA ALA 32 -7.239 -6.531 0.252 206 1HB ALA 32 1HB ALA 32 -6.205 -4.137 1.369 207 2HB ALA 32 2HB ALA 32 -6.856 -3.719 -0.216 208 3HB ALA 32 3HB ALA 32 -7.886 -4.506 0.980 209 H GLY 33 H GLY 33 -7.970 -6.709 -1.766 210 1HA GLY 33 1HA GLY 33 -8.061 -6.448 -4.067 211 2HA GLY 33 2HA GLY 33 -6.731 -5.298 -3.951 212 H ARG 34 H ARG 34 -5.545 -7.744 -2.278 213 HA ARG 34 HA ARG 34 -4.332 -8.971 -4.649 214 1HB ARG 34 1HB ARG 34 -3.246 -8.795 -1.840 215 2HB ARG 34 2HB ARG 34 -2.452 -9.553 -3.197 216 1HG ARG 34 1HG ARG 34 -2.860 -7.081 -4.196 217 2HG ARG 34 2HG ARG 34 -2.666 -6.732 -2.475 218 1HD ARG 34 1HD ARG 34 -0.525 -6.697 -3.722 219 2HD ARG 34 2HD ARG 34 -0.550 -7.878 -2.409 220 HE ARG 34 HE ARG 34 -0.289 -9.542 -3.940 221 1HH1 ARG 34 1HH1 ARG 34 -1.343 -6.644 -5.599 222 2HH1 ARG 34 2HH1 ARG 34 -1.230 -7.355 -7.179 223 1HH2 ARG 34 1HH2 ARG 34 -0.153 -10.474 -6.011 224 2HH2 ARG 34 2HH2 ARG 34 -0.557 -9.541 -7.418 225 H SER 35 H SER 35 -4.421 -10.026 -1.293 226 HA SER 35 HA SER 35 -4.808 -12.016 -0.319 227 1HB SER 35 1HB SER 35 -6.984 -13.143 -0.895 228 2HB SER 35 2HB SER 35 -7.120 -11.439 -0.467 229 HG SER 35 HG SER 35 -6.758 -11.721 -3.130 230 H ASP 36 H ASP 36 -3.009 -12.004 -2.535 231 HA ASP 36 HA ASP 36 -3.342 -14.682 -3.649 232 1HB ASP 36 1HB ASP 36 -2.006 -14.012 -5.438 233 2HB ASP 36 2HB ASP 36 -2.932 -12.575 -5.077 234 H GLY 37 H GLY 37 -1.245 -12.600 -1.861 235 1HA GLY 37 1HA GLY 37 -0.176 -14.501 -0.202 236 2HA GLY 37 2HA GLY 37 0.909 -14.441 -1.578 237 H LYS 38 H LYS 38 1.510 -12.052 -2.183 238 HA LYS 38 HA LYS 38 2.886 -11.007 0.057 239 1HB LYS 38 1HB LYS 38 2.472 -9.473 -2.473 240 2HB LYS 38 2HB LYS 38 3.889 -9.528 -1.429 241 1HG LYS 38 1HG LYS 38 4.686 -10.829 -3.077 242 2HG LYS 38 2HG LYS 38 3.833 -12.093 -2.208 243 1HD LYS 38 1HD LYS 38 1.898 -11.781 -3.676 244 2HD LYS 38 2HD LYS 38 2.771 -10.524 -4.550 245 1HE LYS 38 1HE LYS 38 4.474 -12.146 -5.201 246 2HE LYS 38 2HE LYS 38 3.608 -13.405 -4.317 247 1HZ LYS 38 1HZ LYS 38 1.666 -12.883 -5.822 248 2HZ LYS 38 2HZ LYS 38 2.739 -11.961 -6.766 249 3HZ LYS 38 3HZ LYS 38 2.997 -13.634 -6.567 250 H MET 39 H MET 39 2.496 -9.327 1.348 251 HA MET 39 HA MET 39 -0.066 -7.963 1.068 252 1HB MET 39 1HB MET 39 1.915 -7.937 3.364 253 2HB MET 39 2HB MET 39 0.331 -7.184 3.355 254 1HG MET 39 1HG MET 39 -0.715 -9.389 3.139 255 2HG MET 39 2HG MET 39 0.885 -10.132 3.197 256 1HE MET 39 1HE MET 39 -0.455 -11.519 4.803 257 2HE MET 39 2HE MET 39 -0.283 -11.281 6.541 258 3HE MET 39 3HE MET 39 -1.706 -10.658 5.703 259 H TRP 40 H TRP 40 -0.120 -5.620 1.167 260 HA TRP 40 HA TRP 40 2.435 -4.330 0.497 261 1HB TRP 40 1HB TRP 40 1.256 -3.016 -1.252 262 2HB TRP 40 2HB TRP 40 1.308 -4.740 -1.618 263 HD1 TRP 40 HD1 TRP 40 -1.131 -6.085 -0.891 264 HE1 TRP 40 1HE TRP 40 -3.538 -5.216 -1.158 265 HE3 TRP 40 3HE TRP 40 -0.143 -1.108 -1.374 266 HZ2 TRP 40 2HZ TRP 40 -4.842 -2.748 -1.496 267 HZ3 TRP 40 3HZ TRP 40 -2.028 0.447 -1.636 268 HH2 TRP 40 HH2 TRP 40 -4.322 -0.356 -1.704 269 H CYS 41 H CYS 41 1.522 -1.812 0.025 270 HA CYS 41 HA CYS 41 -0.176 -0.833 2.142 271 1HB CYS 41 1HB CYS 41 1.675 0.613 3.092 272 2HB CYS 41 2HB CYS 41 1.832 -1.103 3.466 273 H ALA 42 H ALA 42 -0.856 1.315 1.648 274 HA ALA 42 HA ALA 42 -0.264 2.128 -1.055 275 1HB ALA 42 1HB ALA 42 -2.517 2.405 0.225 276 2HB ALA 42 2HB ALA 42 -1.768 3.884 0.832 277 3HB ALA 42 3HB ALA 42 -1.986 3.652 -0.903 278 H THR 43 H THR 43 0.633 4.149 -1.647 279 HA THR 43 HA THR 43 2.576 5.084 0.331 280 HB THR 43 HB THR 43 3.865 5.870 -1.612 281 HG1 THR 43 1HG THR 43 2.202 6.275 -3.086 282 1HG2 THR 43 1HG2 THR 43 3.555 3.319 -2.730 283 2HG2 THR 43 2HG2 THR 43 4.745 3.836 -1.534 284 3HG2 THR 43 3HG2 THR 43 3.206 3.151 -1.010 285 H THR 44 H THR 44 -0.357 5.834 -0.375 286 HA THR 44 HA THR 44 0.037 8.715 -0.020 287 HB THR 44 HB THR 44 -2.058 9.064 -1.397 288 HG1 THR 44 1HG THR 44 -3.047 7.361 -2.070 289 1HG2 THR 44 1HG2 THR 44 0.005 7.800 -3.147 290 2HG2 THR 44 2HG2 THR 44 -0.982 9.233 -3.431 291 3HG2 THR 44 3HG2 THR 44 0.351 9.295 -2.278 292 H ALA 45 H ALA 45 -1.663 9.721 1.218 293 HA ALA 45 HA ALA 45 -2.529 8.245 3.426 294 1HB ALA 45 1HB ALA 45 -2.711 10.944 2.519 295 2HB ALA 45 2HB ALA 45 -4.283 10.441 3.141 296 3HB ALA 45 3HB ALA 45 -2.849 10.315 4.162 297 H ASN 46 H ASN 46 -4.282 9.126 0.478 298 HA ASN 46 HA ASN 46 -6.347 7.187 1.267 299 1HB ASN 46 1HB ASN 46 -7.193 9.560 1.233 300 2HB ASN 46 2HB ASN 46 -6.818 9.609 -0.491 301 1HD2 ASN 46 1HD2 ASN 46 -10.248 8.068 0.799 302 2HD2 ASN 46 2HD2 ASN 46 -9.138 8.909 1.810 303 H TYR 47 H TYR 47 -6.042 5.436 0.114 304 HA TYR 47 HA TYR 47 -4.626 5.461 -2.370 305 1HB TYR 47 1HB TYR 47 -4.430 3.629 -0.710 306 2HB TYR 47 2HB TYR 47 -6.092 3.169 -1.058 307 HD1 TYR 47 1HD TYR 47 -6.649 2.338 -3.404 308 HD2 TYR 47 2HD TYR 47 -2.663 2.911 -2.051 309 HE1 TYR 47 1HE TYR 47 -5.820 0.884 -5.210 310 HE2 TYR 47 2HE TYR 47 -1.837 1.462 -3.841 311 HH TYR 47 HH TYR 47 -3.573 -0.628 -5.469 312 H ASP 48 H ASP 48 -8.016 5.272 -1.462 313 HA ASP 48 HA ASP 48 -9.138 4.235 -3.752 314 1HB ASP 48 1HB ASP 48 -10.088 6.225 -1.739 315 2HB ASP 48 2HB ASP 48 -11.064 5.924 -3.173 316 H ASP 49 H ASP 49 -7.860 7.448 -3.246 317 HA ASP 49 HA ASP 49 -8.870 8.395 -5.787 318 1HB ASP 49 1HB ASP 49 -7.295 9.692 -3.573 319 2HB ASP 49 2HB ASP 49 -7.621 10.505 -5.097 320 H ASP 50 H ASP 50 -5.623 8.670 -4.367 321 HA ASP 50 HA ASP 50 -4.345 8.982 -6.848 322 1HB ASP 50 1HB ASP 50 -3.236 8.302 -4.127 323 2HB ASP 50 2HB ASP 50 -2.234 8.655 -5.531 324 H ARG 51 H ARG 51 -5.058 6.078 -5.054 325 HA ARG 51 HA ARG 51 -4.504 3.919 -5.329 326 1HB ARG 51 1HB ARG 51 -4.873 4.725 -8.184 327 2HB ARG 51 2HB ARG 51 -5.009 3.087 -7.543 328 1HG ARG 51 1HG ARG 51 -6.653 4.377 -5.873 329 2HG ARG 51 2HG ARG 51 -6.860 5.363 -7.326 330 1HD ARG 51 1HD ARG 51 -6.996 2.386 -7.397 331 2HD ARG 51 2HD ARG 51 -8.401 3.360 -6.963 332 HE ARG 51 HE ARG 51 -7.349 2.953 -9.587 333 1HH1 ARG 51 1HH1 ARG 51 -9.022 5.250 -7.555 334 2HH1 ARG 51 2HH1 ARG 51 -9.687 6.154 -8.884 335 1HH2 ARG 51 1HH2 ARG 51 -8.211 4.126 -11.356 336 2HH2 ARG 51 2HH2 ARG 51 -9.205 5.518 -11.052 337 H LYS 52 H LYS 52 -2.208 5.045 -4.774 338 HA LYS 52 HA LYS 52 -0.338 3.767 -6.631 339 1HB LYS 52 1HB LYS 52 0.089 6.215 -4.907 340 2HB LYS 52 2HB LYS 52 1.393 5.364 -5.731 341 1HG LYS 52 1HG LYS 52 0.537 5.888 -7.867 342 2HG LYS 52 2HG LYS 52 -0.996 6.433 -7.197 343 1HD LYS 52 1HD LYS 52 0.234 8.293 -6.071 344 2HD LYS 52 2HD LYS 52 1.696 7.773 -6.919 345 1HE LYS 52 1HE LYS 52 -0.863 8.860 -8.095 346 2HE LYS 52 2HE LYS 52 0.757 9.556 -8.175 347 1HZ LYS 52 1HZ LYS 52 1.353 7.396 -9.412 348 2HZ LYS 52 2HZ LYS 52 -0.329 7.228 -9.645 349 3HZ LYS 52 3HZ LYS 52 0.485 8.590 -10.251 350 H TRP 53 H TRP 53 0.483 1.997 -5.840 351 HA TRP 53 HA TRP 53 0.651 1.689 -2.928 352 1HB TRP 53 1HB TRP 53 -0.104 -0.582 -3.210 353 2HB TRP 53 2HB TRP 53 -1.237 0.503 -3.911 354 HD1 TRP 53 HD1 TRP 53 -0.797 0.774 -6.808 355 HE1 TRP 53 1HE TRP 53 -0.367 -1.189 -8.421 356 HE3 TRP 53 3HE TRP 53 0.673 -2.604 -3.398 357 HZ2 TRP 53 2HZ TRP 53 0.506 -3.912 -8.213 358 HZ3 TRP 53 3HZ TRP 53 1.308 -4.896 -4.124 359 HH2 TRP 53 HH2 TRP 53 1.224 -5.528 -6.494 360 H GLY 54 H GLY 54 1.854 -0.233 -2.288 361 1HA GLY 54 1HA GLY 54 4.074 -1.138 -3.886 362 2HA GLY 54 2HA GLY 54 4.539 -0.046 -2.579 363 H PHE 55 H PHE 55 5.029 -3.011 -2.916 364 HA PHE 55 HA PHE 55 3.390 -4.423 -1.133 365 1HB PHE 55 1HB PHE 55 6.171 -4.870 -2.161 366 2HB PHE 55 2HB PHE 55 5.487 -5.924 -0.939 367 HD1 PHE 55 1HD PHE 55 2.611 -5.566 -2.189 368 HD2 PHE 55 2HD PHE 55 6.406 -6.726 -3.714 369 HE1 PHE 55 1HE PHE 55 1.489 -6.964 -3.878 370 HE2 PHE 55 2HE PHE 55 5.295 -8.123 -5.416 371 HZ PHE 55 HZ PHE 55 2.831 -8.238 -5.499 372 H CYS 56 H CYS 56 3.955 -5.263 0.955 373 HA CYS 56 HA CYS 56 4.593 -3.227 2.794 374 1HB CYS 56 1HB CYS 56 3.116 -5.232 3.197 375 2HB CYS 56 2HB CYS 56 4.575 -6.207 3.300 376 HA PRO 57 HA PRO 57 9.026 -3.674 2.804 377 1HB PRO 57 1HB PRO 57 9.628 -1.838 4.584 378 2HB PRO 57 2HB PRO 57 8.862 -1.358 3.058 379 1HG PRO 57 1HG PRO 57 7.565 -1.952 5.682 380 2HG PRO 57 2HG PRO 57 7.415 -0.458 4.729 381 1HD PRO 57 1HD PRO 57 5.578 -2.405 4.582 382 2HD PRO 57 2HD PRO 57 6.064 -1.504 3.129 383 H ASP 58 H ASP 58 7.043 -4.943 4.745 384 HA ASP 58 HA ASP 58 9.014 -5.886 6.712 385 1HB ASP 58 1HB ASP 58 7.175 -4.469 7.668 386 2HB ASP 58 2HB ASP 58 6.030 -5.688 7.127 387 H GLN 59 H GLN 59 9.201 -7.279 4.573 388 HA GLN 59 HA GLN 59 7.584 -9.700 5.030 389 1HB GLN 59 1HB GLN 59 8.569 -8.706 2.340 390 2HB GLN 59 2HB GLN 59 7.642 -10.173 2.625 391 1HG GLN 59 1HG GLN 59 6.645 -7.388 3.189 392 2HG GLN 59 2HG GLN 59 6.321 -8.286 1.710 393 1HE2 GLN 59 1HE2 GLN 59 4.676 -10.692 4.298 394 2HE2 GLN 59 2HE2 GLN 59 6.311 -10.701 3.739 395 H GLY 60 H GLY 60 9.161 -11.024 2.855 396 1HA GLY 60 1HA GLY 60 11.875 -11.019 3.884 397 2HA GLY 60 2HA GLY 60 10.964 -12.492 4.183 Start of MODEL 20 1 H SER 1 1H SER 1 15.977 7.629 7.583 2 HA SER 1 HA SER 1 16.216 5.306 6.929 3 1HB SER 1 1HB SER 1 13.693 5.088 6.543 4 2HB SER 1 2HB SER 1 14.184 6.001 7.970 5 HG SER 1 HG SER 1 12.963 6.874 5.614 6 H TRP 2 H TRP 2 16.614 3.943 5.315 7 HA TRP 2 HA TRP 2 16.221 4.904 2.563 8 1HB TRP 2 1HB TRP 2 18.526 4.171 3.450 9 2HB TRP 2 2HB TRP 2 17.889 2.534 3.402 10 HD1 TRP 2 HD1 TRP 2 16.820 1.919 0.769 11 HE1 TRP 2 1HE TRP 2 18.040 2.317 -1.465 12 HE3 TRP 2 3HE TRP 2 20.163 5.466 2.304 13 HZ2 TRP 2 2HZ TRP 2 20.157 3.924 -2.437 14 HZ3 TRP 2 3HZ TRP 2 21.756 6.385 0.667 15 HH2 TRP 2 HH2 TRP 2 21.751 5.629 -1.656 16 H MET 3 H MET 3 13.908 4.343 2.765 17 HA MET 3 HA MET 3 13.491 1.526 2.135 18 1HB MET 3 1HB MET 3 11.286 1.770 3.399 19 2HB MET 3 2HB MET 3 12.744 1.570 4.356 20 1HG MET 3 1HG MET 3 12.788 3.937 4.828 21 2HG MET 3 2HG MET 3 11.405 4.204 3.770 22 1HE MET 3 1HE MET 3 9.287 2.950 4.001 23 2HE MET 3 2HE MET 3 9.369 1.499 4.998 24 3HE MET 3 3HE MET 3 8.424 2.887 5.538 25 H SER 4 H SER 4 12.228 1.165 0.465 26 HA SER 4 HA SER 4 10.465 3.270 -0.552 27 1HB SER 4 1HB SER 4 12.696 3.302 -1.756 28 2HB SER 4 2HB SER 4 12.346 1.667 -2.311 29 HG SER 4 HG SER 4 11.559 2.855 -3.921 30 H THR 5 H THR 5 9.454 1.986 -2.725 31 HA THR 5 HA THR 5 8.175 -0.308 -1.453 32 HB THR 5 HB THR 5 6.625 0.067 -3.570 33 HG1 THR 5 1HG THR 5 7.357 2.732 -3.123 34 1HG2 THR 5 1HG2 THR 5 5.993 2.240 -1.816 35 2HG2 THR 5 2HG2 THR 5 5.151 0.710 -2.062 36 3HG2 THR 5 3HG2 THR 5 6.462 0.815 -0.888 37 H VAL 6 H VAL 6 7.403 -2.003 -2.869 38 HA VAL 6 HA VAL 6 9.245 -2.784 -4.994 39 HB VAL 6 HB VAL 6 10.039 -4.334 -3.542 40 1HG1 VAL 6 1HG1 VAL 6 8.355 -3.093 -1.761 41 2HG1 VAL 6 2HG1 VAL 6 7.850 -4.781 -1.685 42 3HG1 VAL 6 3HG1 VAL 6 9.531 -4.349 -1.367 43 1HG2 VAL 6 1HG2 VAL 6 7.591 -5.417 -4.588 44 2HG2 VAL 6 2HG2 VAL 6 9.158 -6.196 -4.361 45 3HG2 VAL 6 3HG2 VAL 6 8.003 -6.131 -3.030 46 H GLY 7 H GLY 7 8.015 -4.472 -6.434 47 1HA GLY 7 1HA GLY 7 6.021 -5.033 -7.541 48 2HA GLY 7 2HA GLY 7 5.232 -4.779 -6.013 49 H GLY 8 H GLY 8 3.471 -3.726 -6.701 50 1HA GLY 8 1HA GLY 8 2.145 -2.073 -7.594 51 2HA GLY 8 2HA GLY 8 3.235 -1.067 -6.672 52 H ASN 9 H ASN 9 3.342 0.679 -7.882 53 HA ASN 9 HA ASN 9 4.865 0.566 -10.309 54 1HB ASN 9 1HB ASN 9 3.242 1.711 -11.745 55 2HB ASN 9 2HB ASN 9 2.659 0.137 -11.252 56 1HD2 ASN 9 1HD2 ASN 9 0.700 2.583 -8.868 57 2HD2 ASN 9 2HD2 ASN 9 2.313 2.004 -8.633 58 H SER 10 H SER 10 4.998 1.698 -7.638 59 HA SER 10 HA SER 10 4.688 4.544 -7.908 60 1HB SER 10 1HB SER 10 6.180 4.195 -5.674 61 2HB SER 10 2HB SER 10 4.428 4.070 -5.690 62 HG SER 10 HG SER 10 6.088 2.220 -4.940 63 H GLY 11 H GLY 11 7.433 2.321 -7.497 64 1HA GLY 11 1HA GLY 11 9.460 2.514 -8.752 65 2HA GLY 11 2HA GLY 11 9.118 4.228 -8.967 66 H GLY 12 H GLY 12 9.038 5.499 -6.859 67 1HA GLY 12 1HA GLY 12 10.952 4.429 -4.899 68 2HA GLY 12 2HA GLY 12 11.290 5.972 -5.667 69 H ALA 13 H ALA 13 8.061 4.917 -4.795 70 HA ALA 13 HA ALA 13 7.989 7.129 -2.860 71 1HB ALA 13 1HB ALA 13 6.379 7.244 -4.743 72 2HB ALA 13 2HB ALA 13 5.642 5.750 -4.158 73 3HB ALA 13 3HB ALA 13 5.605 7.201 -3.160 74 HA PRO 14 HA PRO 14 7.461 4.079 0.319 75 1HB PRO 14 1HB PRO 14 7.028 5.795 2.377 76 2HB PRO 14 2HB PRO 14 8.622 5.538 1.665 77 1HG PRO 14 1HG PRO 14 6.800 7.844 1.424 78 2HG PRO 14 2HG PRO 14 8.555 7.775 1.225 79 1HD PRO 14 1HD PRO 14 6.582 7.842 -0.821 80 2HD PRO 14 2HD PRO 14 8.329 7.634 -1.018 81 H CYS 15 H CYS 15 5.792 3.384 1.927 82 HA CYS 15 HA CYS 15 3.155 3.666 0.840 83 1HB CYS 15 1HB CYS 15 3.711 2.528 3.584 84 2HB CYS 15 2HB CYS 15 2.458 2.079 2.437 85 H VAL 16 H VAL 16 1.445 4.900 1.605 86 HA VAL 16 HA VAL 16 2.101 6.818 3.743 87 HB VAL 16 HB VAL 16 0.018 7.066 1.556 88 1HG1 VAL 16 1HG1 VAL 16 0.624 8.660 3.963 89 2HG1 VAL 16 2HG1 VAL 16 0.363 9.568 2.474 90 3HG1 VAL 16 3HG1 VAL 16 -0.888 8.475 3.071 91 1HG2 VAL 16 1HG2 VAL 16 2.785 7.420 1.401 92 2HG2 VAL 16 2HG2 VAL 16 1.572 7.964 0.243 93 3HG2 VAL 16 3HG2 VAL 16 2.111 9.046 1.530 94 H PHE 17 H PHE 17 1.229 6.284 5.651 95 HA PHE 17 HA PHE 17 -1.413 5.001 5.675 96 1HB PHE 17 1HB PHE 17 0.860 4.780 7.658 97 2HB PHE 17 2HB PHE 17 -0.736 4.100 7.890 98 HD1 PHE 17 1HD PHE 17 -0.727 3.466 4.687 99 HD2 PHE 17 2HD PHE 17 1.641 2.515 8.073 100 HE1 PHE 17 1HE PHE 17 0.033 1.413 3.574 101 HE2 PHE 17 2HE PHE 17 2.417 0.465 6.982 102 HZ PHE 17 HZ PHE 17 1.627 -0.115 4.710 103 HA PRO 18 HA PRO 18 -2.906 4.579 6.835 104 1HB PRO 18 1HB PRO 18 -5.456 5.676 7.377 105 2HB PRO 18 2HB PRO 18 -4.503 4.638 8.440 106 1HG PRO 18 1HG PRO 18 -5.148 7.323 8.909 107 2HG PRO 18 2HG PRO 18 -3.912 6.385 9.759 108 1HD PRO 18 1HD PRO 18 -3.604 8.333 7.518 109 2HD PRO 18 2HD PRO 18 -2.524 8.005 8.891 110 H PHE 19 H PHE 19 -3.533 4.042 4.799 111 HA PHE 19 HA PHE 19 -4.421 6.273 3.105 112 1HB PHE 19 1HB PHE 19 -3.879 4.932 1.167 113 2HB PHE 19 2HB PHE 19 -2.498 5.017 2.244 114 HD1 PHE 19 1HD PHE 19 -1.861 3.022 3.577 115 HD2 PHE 19 2HD PHE 19 -4.867 2.871 0.572 116 HE1 PHE 19 1HE PHE 19 -1.611 0.578 3.455 117 HE2 PHE 19 2HE PHE 19 -4.621 0.429 0.441 118 HZ PHE 19 HZ PHE 19 -2.988 -0.720 1.878 119 H THR 20 H THR 20 -5.867 5.126 1.173 120 HA THR 20 HA THR 20 -7.958 3.582 2.525 121 HB THR 20 HB THR 20 -8.527 6.068 0.874 122 HG1 THR 20 1HG THR 20 -7.541 6.603 2.872 123 1HG2 THR 20 1HG2 THR 20 -10.632 5.545 2.612 124 2HG2 THR 20 2HG2 THR 20 -10.613 5.363 0.857 125 3HG2 THR 20 3HG2 THR 20 -10.220 3.988 1.893 126 H PHE 21 H PHE 21 -8.404 1.883 1.345 127 HA PHE 21 HA PHE 21 -8.157 2.069 -1.589 128 1HB PHE 21 1HB PHE 21 -6.522 0.469 -0.495 129 2HB PHE 21 2HB PHE 21 -7.899 -0.424 0.097 130 HD1 PHE 21 1HD PHE 21 -6.162 0.602 -2.975 131 HD2 PHE 21 2HD PHE 21 -9.064 -1.991 -1.275 132 HE1 PHE 21 1HE PHE 21 -6.123 -0.737 -5.015 133 HE2 PHE 21 2HE PHE 21 -9.032 -3.342 -3.323 134 HZ PHE 21 HZ PHE 21 -7.570 -2.729 -5.204 135 H LEU 22 H LEU 22 -9.859 1.529 -2.714 136 HA LEU 22 HA LEU 22 -12.066 1.379 -3.137 137 1HB LEU 22 1HB LEU 22 -10.807 -1.115 -2.216 138 2HB LEU 22 2HB LEU 22 -12.477 -1.162 -2.746 139 HG LEU 22 HG LEU 22 -10.796 -1.723 -4.505 140 1HD1 LEU 22 1HD1 LEU 22 -13.115 -0.560 -4.713 141 2HD1 LEU 22 2HD1 LEU 22 -12.117 0.765 -5.309 142 3HD1 LEU 22 3HD1 LEU 22 -12.067 -0.805 -6.115 143 1HD2 LEU 22 1HD2 LEU 22 -10.138 1.183 -4.261 144 2HD2 LEU 22 2HD2 LEU 22 -9.043 -0.173 -3.991 145 3HD2 LEU 22 3HD2 LEU 22 -9.673 0.146 -5.610 146 H GLY 23 H GLY 23 -12.041 2.730 -0.858 147 1HA GLY 23 1HA GLY 23 -13.824 3.414 0.504 148 2HA GLY 23 2HA GLY 23 -14.508 1.810 0.398 149 H ASN 24 H ASN 24 -11.437 1.065 1.360 150 HA ASN 24 HA ASN 24 -12.269 1.306 4.180 151 1HB ASN 24 1HB ASN 24 -10.339 -0.659 2.940 152 2HB ASN 24 2HB ASN 24 -10.923 -0.668 4.597 153 1HD2 ASN 24 1HD2 ASN 24 -12.935 -2.533 1.734 154 2HD2 ASN 24 2HD2 ASN 24 -11.347 -1.878 1.548 155 H LYS 25 H LYS 25 -10.744 1.832 5.795 156 HA LYS 25 HA LYS 25 -8.560 3.493 4.875 157 1HB LYS 25 1HB LYS 25 -9.644 2.981 7.653 158 2HB LYS 25 2HB LYS 25 -8.536 4.237 7.182 159 1HG LYS 25 1HG LYS 25 -11.355 4.005 6.197 160 2HG LYS 25 2HG LYS 25 -10.826 5.063 7.505 161 1HD LYS 25 1HD LYS 25 -9.759 5.194 4.683 162 2HD LYS 25 2HD LYS 25 -11.080 6.194 5.285 163 1HE LYS 25 1HE LYS 25 -8.280 6.132 6.407 164 2HE LYS 25 2HE LYS 25 -8.921 7.371 5.322 165 1HZ LYS 25 1HZ LYS 25 -10.722 7.206 7.409 166 2HZ LYS 25 2HZ LYS 25 -9.187 7.143 8.150 167 3HZ LYS 25 3HZ LYS 25 -9.585 8.440 7.132 168 H TYR 26 H TYR 26 -6.469 2.733 4.890 169 HA TYR 26 HA TYR 26 -5.975 0.282 6.419 170 1HB TYR 26 1HB TYR 26 -4.698 1.254 3.871 171 2HB TYR 26 2HB TYR 26 -4.256 -0.216 4.732 172 HD1 TYR 26 1HD TYR 26 -6.803 1.410 2.673 173 HD2 TYR 26 2HD TYR 26 -5.706 -2.158 4.684 174 HE1 TYR 26 1HE TYR 26 -8.548 0.202 1.465 175 HE2 TYR 26 2HE TYR 26 -7.453 -3.378 3.487 176 HH TYR 26 HH TYR 26 -9.228 -3.223 2.123 177 H GLU 27 H GLU 27 -4.839 0.613 8.109 178 HA GLU 27 HA GLU 27 -2.987 2.845 8.322 179 1HB GLU 27 1HB GLU 27 -4.023 0.860 10.332 180 2HB GLU 27 2HB GLU 27 -2.958 2.185 10.715 181 1HG GLU 27 1HG GLU 27 -4.614 3.798 10.166 182 2HG GLU 27 2HG GLU 27 -5.667 2.560 9.486 183 H SER 28 H SER 28 -2.995 -0.413 7.577 184 HA SER 28 HA SER 28 -0.099 -0.572 7.889 185 1HB SER 28 1HB SER 28 -0.556 -3.064 8.325 186 2HB SER 28 2HB SER 28 -0.887 -1.959 9.653 187 HG SER 28 HG SER 28 -2.549 -3.675 8.528 188 H CYS 29 H CYS 29 0.205 -3.059 6.571 189 HA CYS 29 HA CYS 29 -0.383 -2.230 3.885 190 1HB CYS 29 1HB CYS 29 0.899 -4.723 4.978 191 2HB CYS 29 2HB CYS 29 0.668 -4.427 3.270 192 H THR 30 H THR 30 -1.293 -3.929 2.368 193 HA THR 30 HA THR 30 -3.435 -5.507 3.561 194 HB THR 30 HB THR 30 -4.412 -3.234 3.176 195 HG1 THR 30 1HG THR 30 -5.915 -4.754 2.984 196 1HG2 THR 30 1HG2 THR 30 -4.656 -3.416 0.327 197 2HG2 THR 30 2HG2 THR 30 -4.081 -2.078 1.320 198 3HG2 THR 30 3HG2 THR 30 -2.955 -3.323 0.781 199 H SER 31 H SER 31 -4.622 -6.701 1.798 200 HA SER 31 HA SER 31 -2.852 -7.290 -0.468 201 1HB SER 31 1HB SER 31 -3.682 -9.675 -0.310 202 2HB SER 31 2HB SER 31 -2.646 -9.168 1.034 203 HG SER 31 HG SER 31 -5.259 -9.970 1.037 204 H ALA 32 H ALA 32 -5.160 -5.565 0.170 205 HA ALA 32 HA ALA 32 -7.551 -6.420 -0.969 206 1HB ALA 32 1HB ALA 32 -6.871 -4.276 0.417 207 2HB ALA 32 2HB ALA 32 -6.710 -3.565 -1.189 208 3HB ALA 32 3HB ALA 32 -8.256 -4.240 -0.674 209 H GLY 33 H GLY 33 -8.312 -6.586 -2.940 210 1HA GLY 33 1HA GLY 33 -8.489 -6.430 -5.226 211 2HA GLY 33 2HA GLY 33 -7.273 -5.159 -5.185 212 H ARG 34 H ARG 34 -5.948 -7.695 -3.547 213 HA ARG 34 HA ARG 34 -4.596 -8.583 -5.996 214 1HB ARG 34 1HB ARG 34 -3.651 -8.640 -3.135 215 2HB ARG 34 2HB ARG 34 -2.770 -9.301 -4.489 216 1HG ARG 34 1HG ARG 34 -3.120 -6.830 -5.411 217 2HG ARG 34 2HG ARG 34 -3.154 -6.497 -3.680 218 1HD ARG 34 1HD ARG 34 -0.883 -6.334 -4.644 219 2HD ARG 34 2HD ARG 34 -1.003 -7.575 -3.389 220 HE ARG 34 HE ARG 34 -0.503 -9.156 -4.949 221 1HH1 ARG 34 1HH1 ARG 34 -1.584 -6.287 -6.648 222 2HH1 ARG 34 2HH1 ARG 34 -1.117 -6.887 -8.205 223 1HH2 ARG 34 1HH2 ARG 34 0.085 -9.942 -7.008 224 2HH2 ARG 34 2HH2 ARG 34 -0.165 -8.948 -8.415 225 H SER 35 H SER 35 -4.697 -10.146 -2.849 226 HA SER 35 HA SER 35 -5.201 -12.253 -2.183 227 1HB SER 35 1HB SER 35 -7.117 -12.118 -4.521 228 2HB SER 35 2HB SER 35 -7.088 -13.429 -3.343 229 HG SER 35 HG SER 35 -7.564 -10.673 -2.790 230 H ASP 36 H ASP 36 -3.101 -11.667 -4.184 231 HA ASP 36 HA ASP 36 -2.944 -14.161 -5.673 232 1HB ASP 36 1HB ASP 36 -1.418 -13.095 -7.073 233 2HB ASP 36 2HB ASP 36 -2.516 -11.807 -6.629 234 H GLY 37 H GLY 37 -1.415 -12.336 -3.186 235 1HA GLY 37 1HA GLY 37 -0.487 -14.209 -1.550 236 2HA GLY 37 2HA GLY 37 0.702 -14.314 -2.837 237 H LYS 38 H LYS 38 0.923 -11.560 -3.474 238 HA LYS 38 HA LYS 38 2.597 -10.726 -1.273 239 1HB LYS 38 1HB LYS 38 2.011 -9.109 -3.720 240 2HB LYS 38 2HB LYS 38 3.480 -9.160 -2.751 241 1HG LYS 38 1HG LYS 38 2.498 -11.417 -4.463 242 2HG LYS 38 2HG LYS 38 3.681 -10.236 -4.963 243 1HD LYS 38 1HD LYS 38 3.954 -12.154 -2.652 244 2HD LYS 38 2HD LYS 38 4.798 -12.254 -4.198 245 1HE LYS 38 1HE LYS 38 5.888 -10.094 -3.723 246 2HE LYS 38 2HE LYS 38 5.073 -10.047 -2.160 247 1HZ LYS 38 1HZ LYS 38 6.219 -12.145 -1.592 248 2HZ LYS 38 2HZ LYS 38 7.077 -12.050 -3.054 249 3HZ LYS 38 3HZ LYS 38 7.289 -10.849 -1.868 250 H MET 39 H MET 39 2.169 -9.192 0.192 251 HA MET 39 HA MET 39 -0.380 -7.787 0.017 252 1HB MET 39 1HB MET 39 1.687 -7.724 2.227 253 2HB MET 39 2HB MET 39 0.056 -7.092 2.297 254 1HG MET 39 1HG MET 39 -0.058 -9.064 3.501 255 2HG MET 39 2HG MET 39 -0.716 -9.489 1.922 256 1HE MET 39 1HE MET 39 -0.291 -11.422 3.717 257 2HE MET 39 2HE MET 39 0.397 -12.650 2.656 258 3HE MET 39 3HE MET 39 1.293 -12.107 4.076 259 H TRP 40 H TRP 40 -0.448 -5.496 -0.034 260 HA TRP 40 HA TRP 40 2.123 -4.221 -0.678 261 1HB TRP 40 1HB TRP 40 0.939 -2.888 -2.400 262 2HB TRP 40 2HB TRP 40 0.927 -4.613 -2.765 263 HD1 TRP 40 HD1 TRP 40 -1.519 -5.892 -1.999 264 HE1 TRP 40 1HE TRP 40 -3.909 -4.952 -2.197 265 HE3 TRP 40 3HE TRP 40 -0.407 -0.939 -2.440 266 HZ2 TRP 40 2HZ TRP 40 -5.143 -2.442 -2.459 267 HZ3 TRP 40 3HZ TRP 40 -2.245 0.672 -2.632 268 HH2 TRP 40 HH2 TRP 40 -4.562 -0.064 -2.652 269 H CYS 41 H CYS 41 1.339 -1.705 -1.087 270 HA CYS 41 HA CYS 41 -0.313 -0.706 1.081 271 1HB CYS 41 1HB CYS 41 1.524 0.688 2.006 272 2HB CYS 41 2HB CYS 41 1.849 -1.032 2.210 273 H ALA 42 H ALA 42 -1.065 1.402 0.566 274 HA ALA 42 HA ALA 42 -0.605 2.196 -2.164 275 1HB ALA 42 1HB ALA 42 -2.808 2.468 -1.014 276 2HB ALA 42 2HB ALA 42 -2.086 3.765 -0.066 277 3HB ALA 42 3HB ALA 42 -2.209 3.918 -1.819 278 H THR 43 H THR 43 0.479 3.972 -2.888 279 HA THR 43 HA THR 43 2.396 5.061 -0.981 280 HB THR 43 HB THR 43 3.684 5.676 -2.998 281 HG1 THR 43 1HG THR 43 2.626 5.796 -4.809 282 1HG2 THR 43 1HG2 THR 43 3.562 3.120 -3.925 283 2HG2 THR 43 2HG2 THR 43 4.491 3.649 -2.521 284 3HG2 THR 43 3HG2 THR 43 2.883 2.957 -2.305 285 H THR 44 H THR 44 -0.504 5.778 -1.750 286 HA THR 44 HA THR 44 -0.103 8.665 -1.612 287 HB THR 44 HB THR 44 -2.147 8.906 -3.095 288 HG1 THR 44 1HG THR 44 -3.033 7.189 -3.900 289 1HG2 THR 44 1HG2 THR 44 -0.992 8.662 -5.195 290 2HG2 THR 44 2HG2 THR 44 0.100 9.331 -3.984 291 3HG2 THR 44 3HG2 THR 44 0.227 7.632 -4.441 292 H ALA 45 H ALA 45 -1.694 9.730 -0.353 293 HA ALA 45 HA ALA 45 -2.744 8.277 1.781 294 1HB ALA 45 1HB ALA 45 -3.412 11.020 0.744 295 2HB ALA 45 2HB ALA 45 -4.112 10.355 2.222 296 3HB ALA 45 3HB ALA 45 -2.367 10.582 2.096 297 H ASN 46 H ASN 46 -4.430 9.513 -1.106 298 HA ASN 46 HA ASN 46 -6.650 7.729 -0.393 299 1HB ASN 46 1HB ASN 46 -7.224 10.165 -0.628 300 2HB ASN 46 2HB ASN 46 -6.766 10.052 -2.332 301 1HD2 ASN 46 1HD2 ASN 46 -10.330 8.757 -1.025 302 2HD2 ASN 46 2HD2 ASN 46 -9.139 9.402 0.040 303 H TYR 47 H TYR 47 -6.105 5.846 -1.309 304 HA TYR 47 HA TYR 47 -4.794 5.641 -3.829 305 1HB TYR 47 1HB TYR 47 -4.658 3.930 -2.000 306 2HB TYR 47 2HB TYR 47 -6.322 3.486 -2.362 307 HD1 TYR 47 1HD TYR 47 -6.877 2.355 -4.455 308 HD2 TYR 47 2HD TYR 47 -2.852 3.285 -3.465 309 HE1 TYR 47 1HE TYR 47 -6.096 0.773 -6.165 310 HE2 TYR 47 2HE TYR 47 -2.065 1.711 -5.176 311 HH TYR 47 HH TYR 47 -3.253 -0.519 -6.322 312 H ASP 48 H ASP 48 -8.117 5.557 -2.746 313 HA ASP 48 HA ASP 48 -9.515 4.415 -4.778 314 1HB ASP 48 1HB ASP 48 -10.177 6.951 -3.277 315 2HB ASP 48 2HB ASP 48 -11.325 6.072 -4.283 316 H ASP 49 H ASP 49 -8.138 7.651 -4.754 317 HA ASP 49 HA ASP 49 -9.106 8.151 -7.454 318 1HB ASP 49 1HB ASP 49 -7.893 9.865 -5.316 319 2HB ASP 49 2HB ASP 49 -7.930 10.418 -6.988 320 H ASP 50 H ASP 50 -5.962 8.401 -5.757 321 HA ASP 50 HA ASP 50 -4.479 8.800 -8.138 322 1HB ASP 50 1HB ASP 50 -3.677 8.065 -5.334 323 2HB ASP 50 2HB ASP 50 -2.497 8.253 -6.627 324 H ARG 51 H ARG 51 -5.240 5.869 -6.347 325 HA ARG 51 HA ARG 51 -4.793 3.691 -6.679 326 1HB ARG 51 1HB ARG 51 -5.025 4.601 -9.524 327 2HB ARG 51 2HB ARG 51 -5.045 2.921 -9.009 328 1HG ARG 51 1HG ARG 51 -6.849 4.475 -7.455 329 2HG ARG 51 2HG ARG 51 -7.219 4.646 -9.172 330 1HD ARG 51 1HD ARG 51 -7.032 2.139 -7.529 331 2HD ARG 51 2HD ARG 51 -8.471 2.813 -8.293 332 HE ARG 51 HE ARG 51 -6.460 2.239 -10.231 333 1HH1 ARG 51 1HH1 ARG 51 -9.012 0.813 -8.320 334 2HH1 ARG 51 2HH1 ARG 51 -9.153 -0.605 -9.315 335 1HH2 ARG 51 1HH2 ARG 51 -6.651 0.415 -11.568 336 2HH2 ARG 51 2HH2 ARG 51 -7.761 -0.860 -11.155 337 H LYS 52 H LYS 52 -2.444 5.139 -6.198 338 HA LYS 52 HA LYS 52 -0.543 3.671 -7.873 339 1HB LYS 52 1HB LYS 52 -0.139 6.202 -6.265 340 2HB LYS 52 2HB LYS 52 1.182 5.286 -6.988 341 1HG LYS 52 1HG LYS 52 0.136 5.579 -9.197 342 2HG LYS 52 2HG LYS 52 -1.110 6.570 -8.455 343 1HD LYS 52 1HD LYS 52 0.447 8.089 -9.368 344 2HD LYS 52 2HD LYS 52 0.787 8.068 -7.634 345 1HE LYS 52 1HE LYS 52 2.670 6.601 -7.964 346 2HE LYS 52 2HE LYS 52 2.266 6.397 -9.672 347 1HZ LYS 52 1HZ LYS 52 2.540 8.991 -9.657 348 2HZ LYS 52 2HZ LYS 52 3.526 8.664 -8.306 349 3HZ LYS 52 3HZ LYS 52 3.889 7.966 -9.807 350 H TRP 53 H TRP 53 0.244 1.958 -7.021 351 HA TRP 53 HA TRP 53 0.370 1.747 -4.093 352 1HB TRP 53 1HB TRP 53 -0.415 -0.534 -4.331 353 2HB TRP 53 2HB TRP 53 -1.533 0.564 -5.049 354 HD1 TRP 53 HD1 TRP 53 -1.142 0.803 -7.932 355 HE1 TRP 53 1HE TRP 53 -0.693 -1.157 -9.549 356 HE3 TRP 53 3HE TRP 53 0.394 -2.538 -4.527 357 HZ2 TRP 53 2HZ TRP 53 0.200 -3.867 -9.340 358 HZ3 TRP 53 3HZ TRP 53 1.030 -4.833 -5.254 359 HH2 TRP 53 HH2 TRP 53 0.929 -5.469 -7.620 360 H GLY 54 H GLY 54 1.551 -0.233 -3.437 361 1HA GLY 54 1HA GLY 54 3.728 -1.207 -5.023 362 2HA GLY 54 2HA GLY 54 4.249 -0.054 -3.796 363 H PHE 55 H PHE 55 4.555 -3.062 -4.112 364 HA PHE 55 HA PHE 55 3.050 -4.394 -2.192 365 1HB PHE 55 1HB PHE 55 5.787 -4.873 -3.336 366 2HB PHE 55 2HB PHE 55 5.108 -5.931 -2.117 367 HD1 PHE 55 1HD PHE 55 2.204 -5.611 -3.253 368 HD2 PHE 55 2HD PHE 55 5.955 -6.615 -4.994 369 HE1 PHE 55 1HE PHE 55 1.057 -6.994 -4.939 370 HE2 PHE 55 2HE PHE 55 4.812 -7.982 -6.680 371 HZ PHE 55 HZ PHE 55 2.359 -8.163 -6.659 372 H CYS 56 H CYS 56 3.605 -5.124 -0.118 373 HA CYS 56 HA CYS 56 4.574 -3.126 1.648 374 1HB CYS 56 1HB CYS 56 2.854 -5.077 2.019 375 2HB CYS 56 2HB CYS 56 4.282 -6.043 2.357 376 HA PRO 57 HA PRO 57 8.928 -3.957 1.639 377 1HB PRO 57 1HB PRO 57 9.638 -3.620 4.208 378 2HB PRO 57 2HB PRO 57 9.168 -2.272 3.156 379 1HG PRO 57 1HG PRO 57 7.473 -3.873 5.018 380 2HG PRO 57 2HG PRO 57 7.670 -2.108 4.989 381 1HD PRO 57 1HD PRO 57 5.570 -3.184 3.814 382 2HD PRO 57 2HD PRO 57 6.496 -1.939 2.941 383 H ASP 58 H ASP 58 10.253 -4.949 4.028 384 HA ASP 58 HA ASP 58 10.472 -7.642 3.317 385 1HB ASP 58 1HB ASP 58 12.272 -6.468 4.468 386 2HB ASP 58 2HB ASP 58 11.274 -6.318 5.911 387 H GLN 59 H GLN 59 9.067 -9.190 3.560 388 HA GLN 59 HA GLN 59 7.551 -9.400 6.079 389 1HB GLN 59 1HB GLN 59 6.445 -10.232 3.394 390 2HB GLN 59 2HB GLN 59 5.585 -10.138 4.918 391 1HG GLN 59 1HG GLN 59 5.818 -7.692 4.864 392 2HG GLN 59 2HG GLN 59 6.614 -7.834 3.294 393 1HE2 GLN 59 1HE2 GLN 59 3.699 -8.137 1.487 394 2HE2 GLN 59 2HE2 GLN 59 5.423 -8.012 1.514 395 H GLY 60 H GLY 60 8.398 -11.104 3.093 396 1HA GLY 60 1HA GLY 60 9.918 -13.147 4.199 397 2HA GLY 60 2HA GLY 60 8.253 -13.719 4.174 Start of MODEL 21 1 H SER 1 1H SER 1 13.138 6.695 10.508 2 HA SER 1 HA SER 1 13.508 7.609 8.535 3 1HB SER 1 1HB SER 1 15.013 5.099 7.740 4 2HB SER 1 2HB SER 1 14.938 6.607 6.828 5 HG SER 1 HG SER 1 16.725 6.992 7.916 6 H TRP 2 H TRP 2 12.573 7.273 6.325 7 HA TRP 2 HA TRP 2 10.212 5.617 6.537 8 1HB TRP 2 1HB TRP 2 11.148 7.520 4.378 9 2HB TRP 2 2HB TRP 2 9.635 6.626 4.313 10 HD1 TRP 2 HD1 TRP 2 8.225 7.073 6.895 11 HE1 TRP 2 1HE TRP 2 7.591 9.407 7.786 12 HE3 TRP 2 3HE TRP 2 11.583 9.873 4.265 13 HZ2 TRP 2 2HZ TRP 2 8.418 12.080 7.423 14 HZ3 TRP 2 3HZ TRP 2 11.601 12.313 4.590 15 HH2 TRP 2 HH2 TRP 2 10.051 13.388 6.133 16 H MET 3 H MET 3 10.014 3.625 5.750 17 HA MET 3 HA MET 3 12.201 2.469 4.251 18 1HB MET 3 1HB MET 3 9.614 1.257 5.238 19 2HB MET 3 2HB MET 3 10.942 0.361 4.513 20 1HG MET 3 1HG MET 3 12.403 1.004 6.343 21 2HG MET 3 2HG MET 3 11.103 1.949 7.063 22 1HE MET 3 1HE MET 3 8.585 0.287 6.653 23 2HE MET 3 2HE MET 3 8.519 -0.814 8.032 24 3HE MET 3 3HE MET 3 8.964 0.875 8.271 25 H SER 4 H SER 4 12.240 1.960 2.144 26 HA SER 4 HA SER 4 10.260 3.050 0.399 27 1HB SER 4 1HB SER 4 12.487 1.136 -0.325 28 2HB SER 4 2HB SER 4 11.669 2.283 -1.389 29 HG SER 4 HG SER 4 13.227 3.593 -0.848 30 H THR 5 H THR 5 9.130 1.765 -1.277 31 HA THR 5 HA THR 5 8.064 -0.664 -0.070 32 HB THR 5 HB THR 5 6.349 -0.362 -1.957 33 HG1 THR 5 1HG THR 5 7.226 2.310 -1.941 34 1HG2 THR 5 1HG2 THR 5 5.184 1.501 -0.779 35 2HG2 THR 5 2HG2 THR 5 5.666 0.147 0.243 36 3HG2 THR 5 3HG2 THR 5 6.604 1.640 0.256 37 H VAL 6 H VAL 6 7.454 -2.425 -1.456 38 HA VAL 6 HA VAL 6 9.429 -2.985 -3.585 39 HB VAL 6 HB VAL 6 7.909 -5.276 -2.622 40 1HG1 VAL 6 1HG1 VAL 6 10.318 -4.829 -3.847 41 2HG1 VAL 6 2HG1 VAL 6 10.787 -5.338 -2.223 42 3HG1 VAL 6 3HG1 VAL 6 9.750 -6.370 -3.204 43 1HG2 VAL 6 1HG2 VAL 6 9.039 -3.525 -0.595 44 2HG2 VAL 6 2HG2 VAL 6 7.926 -4.880 -0.430 45 3HG2 VAL 6 3HG2 VAL 6 9.662 -5.176 -0.510 46 H GLY 7 H GLY 7 8.043 -5.124 -4.647 47 1HA GLY 7 1HA GLY 7 6.533 -5.385 -6.423 48 2HA GLY 7 2HA GLY 7 5.419 -5.176 -5.105 49 H GLY 8 H GLY 8 3.881 -3.860 -5.540 50 1HA GLY 8 1HA GLY 8 2.646 -2.254 -6.693 51 2HA GLY 8 2HA GLY 8 3.724 -1.275 -5.734 52 H ASN 9 H ASN 9 4.065 0.421 -6.913 53 HA ASN 9 HA ASN 9 5.491 0.104 -9.436 54 1HB ASN 9 1HB ASN 9 4.092 1.667 -10.629 55 2HB ASN 9 2HB ASN 9 3.069 0.388 -10.007 56 1HD2 ASN 9 1HD2 ASN 9 1.170 2.412 -7.988 57 2HD2 ASN 9 2HD2 ASN 9 1.687 0.821 -8.393 58 H SER 10 H SER 10 4.464 2.000 -6.692 59 HA SER 10 HA SER 10 5.867 4.373 -7.121 60 1HB SER 10 1HB SER 10 5.552 3.062 -4.414 61 2HB SER 10 2HB SER 10 5.616 4.780 -4.784 62 HG SER 10 HG SER 10 3.480 4.249 -4.470 63 H GLY 11 H GLY 11 6.926 1.744 -4.949 64 1HA GLY 11 1HA GLY 11 9.004 0.828 -4.602 65 2HA GLY 11 2HA GLY 11 9.556 1.644 -6.058 66 H GLY 12 H GLY 12 9.872 4.064 -5.796 67 1HA GLY 12 1HA GLY 12 11.730 4.474 -3.680 68 2HA GLY 12 2HA GLY 12 11.211 5.678 -4.846 69 H ALA 13 H ALA 13 8.345 4.831 -3.767 70 HA ALA 13 HA ALA 13 8.407 6.893 -1.693 71 1HB ALA 13 1HB ALA 13 6.066 5.648 -3.123 72 2HB ALA 13 2HB ALA 13 5.970 6.947 -1.934 73 3HB ALA 13 3HB ALA 13 6.792 7.220 -3.472 74 HA PRO 14 HA PRO 14 7.810 3.807 1.428 75 1HB PRO 14 1HB PRO 14 7.430 5.509 3.513 76 2HB PRO 14 2HB PRO 14 9.010 5.199 2.786 77 1HG PRO 14 1HG PRO 14 7.291 7.587 2.616 78 2HG PRO 14 2HG PRO 14 9.031 7.430 2.341 79 1HD PRO 14 1HD PRO 14 6.957 7.593 0.382 80 2HD PRO 14 2HD PRO 14 8.694 7.374 0.108 81 H CYS 15 H CYS 15 6.239 3.127 3.093 82 HA CYS 15 HA CYS 15 3.548 3.380 2.139 83 1HB CYS 15 1HB CYS 15 4.290 2.295 4.861 84 2HB CYS 15 2HB CYS 15 2.934 1.845 3.836 85 H VAL 16 H VAL 16 2.053 4.870 2.752 86 HA VAL 16 HA VAL 16 2.779 6.645 4.968 87 HB VAL 16 HB VAL 16 0.694 7.118 2.833 88 1HG1 VAL 16 1HG1 VAL 16 1.747 8.728 5.114 89 2HG1 VAL 16 2HG1 VAL 16 1.207 9.545 3.645 90 3HG1 VAL 16 3HG1 VAL 16 0.088 8.528 4.548 91 1HG2 VAL 16 1HG2 VAL 16 3.393 7.034 2.426 92 2HG2 VAL 16 2HG2 VAL 16 2.255 7.982 1.468 93 3HG2 VAL 16 3HG2 VAL 16 3.132 8.738 2.797 94 H PHE 17 H PHE 17 1.988 5.790 6.817 95 HA PHE 17 HA PHE 17 -0.778 4.844 6.826 96 1HB PHE 17 1HB PHE 17 1.381 4.504 8.909 97 2HB PHE 17 2HB PHE 17 -0.234 3.839 8.993 98 HD1 PHE 17 1HD PHE 17 -0.838 2.460 6.683 99 HD2 PHE 17 2HD PHE 17 2.980 3.048 8.441 100 HE1 PHE 17 1HE PHE 17 -0.004 0.437 5.558 101 HE2 PHE 17 2HE PHE 17 3.836 1.035 7.332 102 HZ PHE 17 HZ PHE 17 2.344 -0.302 5.866 103 HA PRO 18 HA PRO 18 -2.246 4.434 8.113 104 1HB PRO 18 1HB PRO 18 -4.741 5.315 8.609 105 2HB PRO 18 2HB PRO 18 -3.641 4.799 9.886 106 1HG PRO 18 1HG PRO 18 -4.496 7.526 9.119 107 2HG PRO 18 2HG PRO 18 -3.965 6.915 10.692 108 1HD PRO 18 1HD PRO 18 -2.431 8.400 8.830 109 2HD PRO 18 2HD PRO 18 -1.849 7.607 10.308 110 H PHE 19 H PHE 19 -2.979 3.811 6.151 111 HA PHE 19 HA PHE 19 -3.855 5.999 4.394 112 1HB PHE 19 1HB PHE 19 -3.311 4.677 2.455 113 2HB PHE 19 2HB PHE 19 -1.915 4.784 3.508 114 HD1 PHE 19 1HD PHE 19 -1.379 2.754 4.961 115 HD2 PHE 19 2HD PHE 19 -4.086 2.654 1.684 116 HE1 PHE 19 1HE PHE 19 -1.076 0.317 4.782 117 HE2 PHE 19 2HE PHE 19 -3.792 0.225 1.504 118 HZ PHE 19 HZ PHE 19 -2.280 -0.949 3.047 119 H THR 20 H THR 20 -5.308 4.675 2.496 120 HA THR 20 HA THR 20 -7.348 3.215 3.990 121 HB THR 20 HB THR 20 -7.828 5.825 2.535 122 HG1 THR 20 1HG THR 20 -7.248 5.319 5.033 123 1HG2 THR 20 1HG2 THR 20 -10.175 5.379 3.708 124 2HG2 THR 20 2HG2 THR 20 -9.826 4.937 2.036 125 3HG2 THR 20 3HG2 THR 20 -9.732 3.719 3.308 126 H PHE 21 H PHE 21 -8.147 1.616 2.899 127 HA PHE 21 HA PHE 21 -8.224 1.737 -0.040 128 1HB PHE 21 1HB PHE 21 -6.240 0.390 0.943 129 2HB PHE 21 2HB PHE 21 -7.459 -0.759 1.445 130 HD1 PHE 21 1HD PHE 21 -8.115 0.932 -1.701 131 HD2 PHE 21 2HD PHE 21 -6.260 -2.433 0.120 132 HE1 PHE 21 1HE PHE 21 -7.984 -0.198 -3.872 133 HE2 PHE 21 2HE PHE 21 -6.137 -3.561 -2.039 134 HZ PHE 21 HZ PHE 21 -6.990 -2.429 -4.063 135 H LEU 22 H LEU 22 -9.992 0.673 -0.897 136 HA LEU 22 HA LEU 22 -12.172 0.234 -1.002 137 1HB LEU 22 1HB LEU 22 -10.985 -1.842 0.725 138 2HB LEU 22 2HB LEU 22 -12.547 -2.039 -0.054 139 HG LEU 22 HG LEU 22 -11.404 -2.901 -1.772 140 1HD1 LEU 22 1HD1 LEU 22 -11.282 -0.256 -2.260 141 2HD1 LEU 22 2HD1 LEU 22 -9.634 -0.826 -2.527 142 3HD1 LEU 22 3HD1 LEU 22 -10.976 -1.557 -3.409 143 1HD2 LEU 22 1HD2 LEU 22 -9.332 -2.494 0.085 144 2HD2 LEU 22 2HD2 LEU 22 -9.622 -3.841 -1.017 145 3HD2 LEU 22 3HD2 LEU 22 -8.755 -2.412 -1.580 146 H GLY 23 H GLY 23 -11.683 2.188 1.063 147 1HA GLY 23 1HA GLY 23 -13.256 3.264 2.430 148 2HA GLY 23 2HA GLY 23 -14.127 1.755 2.579 149 H ASN 24 H ASN 24 -11.141 0.724 3.338 150 HA ASN 24 HA ASN 24 -11.612 1.303 6.180 151 1HB ASN 24 1HB ASN 24 -10.205 -0.979 4.806 152 2HB ASN 24 2HB ASN 24 -10.271 -0.777 6.548 153 1HD2 ASN 24 1HD2 ASN 24 -13.273 -2.460 4.545 154 2HD2 ASN 24 2HD2 ASN 24 -11.760 -2.033 3.841 155 H LYS 25 H LYS 25 -10.045 2.152 7.472 156 HA LYS 25 HA LYS 25 -7.775 3.380 6.236 157 1HB LYS 25 1HB LYS 25 -8.652 3.178 9.120 158 2HB LYS 25 2HB LYS 25 -7.423 4.239 8.493 159 1HG LYS 25 1HG LYS 25 -9.045 5.489 7.228 160 2HG LYS 25 2HG LYS 25 -10.310 4.346 7.691 161 1HD LYS 25 1HD LYS 25 -10.543 6.257 9.080 162 2HD LYS 25 2HD LYS 25 -9.881 4.955 10.073 163 1HE LYS 25 1HE LYS 25 -7.592 5.936 9.593 164 2HE LYS 25 2HE LYS 25 -8.433 7.335 8.923 165 1HZ LYS 25 1HZ LYS 25 -9.647 7.269 11.227 166 2HZ LYS 25 2HZ LYS 25 -8.259 6.421 11.718 167 3HZ LYS 25 3HZ LYS 25 -8.116 7.996 11.086 168 H TYR 26 H TYR 26 -5.806 2.385 6.050 169 HA TYR 26 HA TYR 26 -5.375 -0.005 7.699 170 1HB TYR 26 1HB TYR 26 -4.094 0.834 5.099 171 2HB TYR 26 2HB TYR 26 -3.716 -0.633 5.988 172 HD1 TYR 26 1HD TYR 26 -7.002 -0.542 6.635 173 HD2 TYR 26 2HD TYR 26 -4.472 -0.915 3.247 174 HE1 TYR 26 1HE TYR 26 -8.783 -1.709 5.434 175 HE2 TYR 26 2HE TYR 26 -6.249 -2.084 2.040 176 HH TYR 26 HH TYR 26 -9.231 -1.965 2.615 177 H GLU 27 H GLU 27 -4.208 0.261 9.348 178 HA GLU 27 HA GLU 27 -2.311 2.431 9.649 179 1HB GLU 27 1HB GLU 27 -3.082 0.199 11.521 180 2HB GLU 27 2HB GLU 27 -2.226 1.661 11.940 181 1HG GLU 27 1HG GLU 27 -4.955 1.785 10.751 182 2HG GLU 27 2HG GLU 27 -4.722 1.514 12.474 183 H SER 28 H SER 28 -2.409 -0.913 8.978 184 HA SER 28 HA SER 28 0.521 -1.029 9.011 185 1HB SER 28 1HB SER 28 0.054 -3.567 9.315 186 2HB SER 28 2HB SER 28 -0.111 -2.525 10.725 187 HG SER 28 HG SER 28 -1.884 -3.978 10.462 188 H CYS 29 H CYS 29 0.927 -3.296 7.554 189 HA CYS 29 HA CYS 29 0.163 -2.415 4.953 190 1HB CYS 29 1HB CYS 29 1.511 -4.969 5.815 191 2HB CYS 29 2HB CYS 29 1.376 -4.400 4.164 192 H THR 30 H THR 30 -0.788 -3.985 3.380 193 HA THR 30 HA THR 30 -2.852 -5.677 4.598 194 HB THR 30 HB THR 30 -3.836 -3.402 4.195 195 HG1 THR 30 1HG THR 30 -5.340 -4.944 4.026 196 1HG2 THR 30 1HG2 THR 30 -3.500 -3.972 1.268 197 2HG2 THR 30 2HG2 THR 30 -4.082 -2.497 2.042 198 3HG2 THR 30 3HG2 THR 30 -2.380 -2.948 2.164 199 H SER 31 H SER 31 -3.966 -6.963 2.920 200 HA SER 31 HA SER 31 -2.256 -7.469 0.592 201 1HB SER 31 1HB SER 31 -3.072 -9.881 0.788 202 2HB SER 31 2HB SER 31 -1.916 -9.354 2.019 203 HG SER 31 HG SER 31 -3.639 -9.086 3.458 204 H ALA 32 H ALA 32 -4.623 -5.829 1.331 205 HA ALA 32 HA ALA 32 -7.002 -6.754 0.199 206 1HB ALA 32 1HB ALA 32 -5.955 -4.266 1.235 207 2HB ALA 32 2HB ALA 32 -6.917 -3.968 -0.212 208 3HB ALA 32 3HB ALA 32 -7.627 -4.820 1.158 209 H GLY 33 H GLY 33 -7.862 -6.715 -1.800 210 1HA GLY 33 1HA GLY 33 -8.012 -6.354 -4.081 211 2HA GLY 33 2HA GLY 33 -6.626 -5.279 -3.963 212 H ARG 34 H ARG 34 -5.684 -8.022 -2.453 213 HA ARG 34 HA ARG 34 -4.572 -9.157 -4.925 214 1HB ARG 34 1HB ARG 34 -3.373 -9.325 -2.162 215 2HB ARG 34 2HB ARG 34 -2.629 -9.765 -3.683 216 1HG ARG 34 1HG ARG 34 -2.962 -7.252 -4.276 217 2HG ARG 34 2HG ARG 34 -3.094 -7.066 -2.531 218 1HD ARG 34 1HD ARG 34 -0.801 -6.722 -3.409 219 2HD ARG 34 2HD ARG 34 -0.919 -7.999 -2.201 220 HE ARG 34 HE ARG 34 -0.206 -9.494 -3.775 221 1HH1 ARG 34 1HH1 ARG 34 -1.299 -6.612 -5.429 222 2HH1 ARG 34 2HH1 ARG 34 -0.822 -7.190 -6.997 223 1HH2 ARG 34 1HH2 ARG 34 0.371 -10.257 -5.833 224 2HH2 ARG 34 2HH2 ARG 34 0.135 -9.252 -7.226 225 H SER 35 H SER 35 -4.443 -11.436 -5.071 226 HA SER 35 HA SER 35 -6.110 -12.866 -3.111 227 1HB SER 35 1HB SER 35 -6.673 -14.413 -5.033 228 2HB SER 35 2HB SER 35 -7.332 -12.781 -5.162 229 HG SER 35 HG SER 35 -6.031 -12.353 -6.805 230 H ASP 36 H ASP 36 -3.049 -12.440 -3.986 231 HA ASP 36 HA ASP 36 -2.180 -15.208 -4.001 232 1HB ASP 36 1HB ASP 36 0.134 -13.952 -4.044 233 2HB ASP 36 2HB ASP 36 -0.866 -14.034 -5.486 234 H GLY 37 H GLY 37 -0.640 -12.565 -2.351 235 1HA GLY 37 1HA GLY 37 -1.277 -13.089 0.260 236 2HA GLY 37 2HA GLY 37 0.047 -14.180 -0.108 237 H LYS 38 H LYS 38 0.865 -11.882 -2.090 238 HA LYS 38 HA LYS 38 2.908 -10.787 -0.486 239 1HB LYS 38 1HB LYS 38 1.789 -9.677 -3.068 240 2HB LYS 38 2HB LYS 38 3.394 -9.399 -2.412 241 1HG LYS 38 1HG LYS 38 4.143 -11.479 -2.986 242 2HG LYS 38 2HG LYS 38 2.526 -12.173 -3.034 243 1HD LYS 38 1HD LYS 38 2.073 -10.799 -5.061 244 2HD LYS 38 2HD LYS 38 3.762 -10.281 -5.039 245 1HE LYS 38 1HE LYS 38 4.494 -12.570 -5.325 246 2HE LYS 38 2HE LYS 38 2.827 -13.143 -5.236 247 1HZ LYS 38 1HZ LYS 38 2.388 -11.721 -7.238 248 2HZ LYS 38 2HZ LYS 38 4.068 -11.506 -7.375 249 3HZ LYS 38 3HZ LYS 38 3.393 -13.060 -7.504 250 H MET 39 H MET 39 2.294 -9.549 1.288 251 HA MET 39 HA MET 39 0.092 -7.729 1.133 252 1HB MET 39 1HB MET 39 2.245 -7.827 3.251 253 2HB MET 39 2HB MET 39 0.630 -7.149 3.396 254 1HG MET 39 1HG MET 39 -0.323 -9.400 3.121 255 2HG MET 39 2HG MET 39 1.312 -10.058 3.066 256 1HE MET 39 1HE MET 39 0.289 -11.614 4.617 257 2HE MET 39 2HE MET 39 0.754 -11.494 6.314 258 3HE MET 39 3HE MET 39 -0.876 -11.042 5.812 259 H TRP 40 H TRP 40 0.105 -5.526 1.005 260 HA TRP 40 HA TRP 40 2.679 -4.249 0.373 261 1HB TRP 40 1HB TRP 40 1.527 -2.964 -1.411 262 2HB TRP 40 2HB TRP 40 1.567 -4.693 -1.748 263 HD1 TRP 40 HD1 TRP 40 -0.910 -6.007 -1.096 264 HE1 TRP 40 1HE TRP 40 -3.294 -5.102 -1.407 265 HE3 TRP 40 3HE TRP 40 0.146 -1.032 -1.526 266 HZ2 TRP 40 2HZ TRP 40 -4.549 -2.619 -1.746 267 HZ3 TRP 40 3HZ TRP 40 -1.708 0.544 -1.820 268 HH2 TRP 40 HH2 TRP 40 -4.016 -0.240 -1.939 269 H CYS 41 H CYS 41 1.796 -1.713 -0.111 270 HA CYS 41 HA CYS 41 0.057 -0.772 1.995 271 1HB CYS 41 1HB CYS 41 1.850 0.700 2.980 272 2HB CYS 41 2HB CYS 41 2.100 -1.021 3.287 273 H ALA 42 H ALA 42 -0.549 1.469 1.659 274 HA ALA 42 HA ALA 42 -0.083 2.343 -1.069 275 1HB ALA 42 1HB ALA 42 -2.309 2.547 0.216 276 2HB ALA 42 2HB ALA 42 -1.567 3.952 0.979 277 3HB ALA 42 3HB ALA 42 -1.783 3.912 -0.771 278 H THR 43 H THR 43 0.801 4.358 -1.639 279 HA THR 43 HA THR 43 2.706 5.377 0.362 280 HB THR 43 HB THR 43 4.231 5.788 -1.473 281 HG1 THR 43 1HG THR 43 3.169 6.288 -3.256 282 1HG2 THR 43 1HG2 THR 43 3.499 3.191 -2.490 283 2HG2 THR 43 2HG2 THR 43 4.906 3.673 -1.540 284 3HG2 THR 43 3HG2 THR 43 3.404 3.235 -0.729 285 H THR 44 H THR 44 -0.135 6.168 -0.786 286 HA THR 44 HA THR 44 0.503 9.022 -1.203 287 HB THR 44 HB THR 44 -1.551 9.040 -2.587 288 HG1 THR 44 1HG THR 44 -2.828 7.375 -2.475 289 1HG2 THR 44 1HG2 THR 44 -0.564 7.099 -4.169 290 2HG2 THR 44 2HG2 THR 44 0.087 8.738 -4.082 291 3HG2 THR 44 3HG2 THR 44 0.832 7.439 -3.146 292 H ALA 45 H ALA 45 -0.534 7.241 1.187 293 HA ALA 45 HA ALA 45 -1.723 7.573 3.081 294 1HB ALA 45 1HB ALA 45 -1.993 10.256 1.823 295 2HB ALA 45 2HB ALA 45 -2.875 9.852 3.298 296 3HB ALA 45 3HB ALA 45 -1.111 9.777 3.275 297 H ASN 46 H ASN 46 -3.320 8.377 0.043 298 HA ASN 46 HA ASN 46 -5.694 6.924 0.998 299 1HB ASN 46 1HB ASN 46 -6.191 9.396 0.897 300 2HB ASN 46 2HB ASN 46 -5.828 9.345 -0.831 301 1HD2 ASN 46 1HD2 ASN 46 -9.436 8.394 0.491 302 2HD2 ASN 46 2HD2 ASN 46 -8.205 9.091 1.477 303 H TYR 47 H TYR 47 -5.644 5.094 -0.126 304 HA TYR 47 HA TYR 47 -4.353 5.037 -2.709 305 1HB TYR 47 1HB TYR 47 -3.991 3.287 -0.956 306 2HB TYR 47 2HB TYR 47 -5.647 2.750 -1.239 307 HD1 TYR 47 1HD TYR 47 -2.327 3.120 -2.794 308 HD2 TYR 47 2HD TYR 47 -6.205 1.424 -3.123 309 HE1 TYR 47 1HE TYR 47 -1.556 1.737 -4.659 310 HE2 TYR 47 2HE TYR 47 -5.441 0.036 -4.996 311 HH TYR 47 HH TYR 47 -3.633 -0.717 -6.109 312 H ASP 48 H ASP 48 -7.607 4.911 -1.466 313 HA ASP 48 HA ASP 48 -8.889 3.737 -3.626 314 1HB ASP 48 1HB ASP 48 -9.778 5.689 -1.539 315 2HB ASP 48 2HB ASP 48 -10.861 5.256 -2.855 316 H ASP 49 H ASP 49 -7.794 7.029 -3.181 317 HA ASP 49 HA ASP 49 -9.025 7.892 -5.669 318 1HB ASP 49 1HB ASP 49 -7.560 9.298 -3.454 319 2HB ASP 49 2HB ASP 49 -7.854 10.096 -4.993 320 H ASP 50 H ASP 50 -5.746 7.868 -4.274 321 HA ASP 50 HA ASP 50 -4.504 8.640 -6.717 322 1HB ASP 50 1HB ASP 50 -3.420 7.617 -4.112 323 2HB ASP 50 2HB ASP 50 -2.380 8.016 -5.475 324 H ARG 51 H ARG 51 -4.726 5.505 -5.057 325 HA ARG 51 HA ARG 51 -4.328 3.415 -5.699 326 1HB ARG 51 1HB ARG 51 -4.801 4.555 -8.431 327 2HB ARG 51 2HB ARG 51 -4.779 2.838 -8.039 328 1HG ARG 51 1HG ARG 51 -6.435 4.137 -6.186 329 2HG ARG 51 2HG ARG 51 -6.918 4.672 -7.799 330 1HD ARG 51 1HD ARG 51 -6.407 1.807 -7.569 331 2HD ARG 51 2HD ARG 51 -7.715 2.391 -6.539 332 HE ARG 51 HE ARG 51 -8.999 2.742 -8.412 333 1HH1 ARG 51 1HH1 ARG 51 -5.700 2.137 -9.445 334 2HH1 ARG 51 2HH1 ARG 51 -6.095 2.214 -11.132 335 1HH2 ARG 51 1HH2 ARG 51 -9.499 2.862 -10.613 336 2HH2 ARG 51 2HH2 ARG 51 -8.245 2.626 -11.794 337 H LYS 52 H LYS 52 -2.042 4.870 -5.196 338 HA LYS 52 HA LYS 52 -0.138 3.589 -7.007 339 1HB LYS 52 1HB LYS 52 0.121 6.165 -5.447 340 2HB LYS 52 2HB LYS 52 1.533 5.310 -6.068 341 1HG LYS 52 1HG LYS 52 1.246 6.437 -7.969 342 2HG LYS 52 2HG LYS 52 -0.178 5.426 -8.226 343 1HD LYS 52 1HD LYS 52 -0.883 7.662 -8.511 344 2HD LYS 52 2HD LYS 52 -1.499 7.128 -6.947 345 1HE LYS 52 1HE LYS 52 0.276 8.301 -5.802 346 2HE LYS 52 2HE LYS 52 1.023 8.742 -7.335 347 1HZ LYS 52 1HZ LYS 52 -1.407 9.757 -7.681 348 2HZ LYS 52 2HZ LYS 52 -1.296 9.891 -5.990 349 3HZ LYS 52 3HZ LYS 52 -0.129 10.631 -6.976 350 H TRP 53 H TRP 53 0.769 1.873 -6.137 351 HA TRP 53 HA TRP 53 0.942 1.687 -3.204 352 1HB TRP 53 1HB TRP 53 0.180 -0.590 -3.384 353 2HB TRP 53 2HB TRP 53 -0.959 0.473 -4.123 354 HD1 TRP 53 HD1 TRP 53 -0.503 0.636 -7.039 355 HE1 TRP 53 1HE TRP 53 -0.111 -1.403 -8.574 356 HE3 TRP 53 3HE TRP 53 0.932 -2.622 -3.508 357 HZ2 TRP 53 2HZ TRP 53 0.720 -4.117 -8.265 358 HZ3 TRP 53 3HZ TRP 53 1.533 -4.946 -4.147 359 HH2 TRP 53 HH2 TRP 53 1.430 -5.672 -6.489 360 H GLY 54 H GLY 54 2.108 -0.282 -2.541 361 1HA GLY 54 1HA GLY 54 4.275 -1.295 -4.107 362 2HA GLY 54 2HA GLY 54 4.806 -0.122 -2.901 363 H PHE 55 H PHE 55 5.245 -3.063 -3.062 364 HA PHE 55 HA PHE 55 3.673 -4.433 -1.211 365 1HB PHE 55 1HB PHE 55 6.426 -4.839 -2.313 366 2HB PHE 55 2HB PHE 55 5.851 -5.863 -1.011 367 HD1 PHE 55 1HD PHE 55 2.956 -5.200 -2.557 368 HD2 PHE 55 2HD PHE 55 6.613 -7.212 -3.350 369 HE1 PHE 55 1HE PHE 55 1.794 -6.665 -4.160 370 HE2 PHE 55 2HE PHE 55 5.462 -8.689 -4.955 371 HZ PHE 55 HZ PHE 55 3.049 -8.391 -5.377 372 H CYS 56 H CYS 56 4.230 -5.214 0.872 373 HA CYS 56 HA CYS 56 4.903 -3.100 2.633 374 1HB CYS 56 1HB CYS 56 3.271 -4.962 3.101 375 2HB CYS 56 2HB CYS 56 4.650 -6.036 3.291 376 HA PRO 57 HA PRO 57 9.269 -3.973 2.831 377 1HB PRO 57 1HB PRO 57 10.035 -1.940 4.305 378 2HB PRO 57 2HB PRO 57 9.389 -1.643 2.679 379 1HG PRO 57 1HG PRO 57 7.968 -1.570 5.305 380 2HG PRO 57 2HG PRO 57 7.990 -0.308 4.059 381 1HD PRO 57 1HD PRO 57 5.963 -2.095 4.280 382 2HD PRO 57 2HD PRO 57 6.505 -1.480 2.698 383 H ASP 58 H ASP 58 7.036 -4.507 4.910 384 HA ASP 58 HA ASP 58 8.811 -5.617 6.968 385 1HB ASP 58 1HB ASP 58 7.661 -3.530 7.785 386 2HB ASP 58 2HB ASP 58 6.123 -4.351 7.539 387 H GLN 59 H GLN 59 8.424 -7.413 5.338 388 HA GLN 59 HA GLN 59 5.827 -8.669 5.386 389 1HB GLN 59 1HB GLN 59 8.481 -9.658 4.316 390 2HB GLN 59 2HB GLN 59 6.930 -10.449 4.065 391 1HG GLN 59 1HG GLN 59 7.512 -7.639 3.166 392 2HG GLN 59 2HG GLN 59 7.784 -9.060 2.154 393 1HE2 GLN 59 1HE2 GLN 59 4.524 -9.096 1.034 394 2HE2 GLN 59 2HE2 GLN 59 6.196 -9.457 0.787 395 H GLY 60 H GLY 60 5.593 -10.969 6.063 396 1HA GLY 60 1HA GLY 60 6.669 -12.763 7.420 397 2HA GLY 60 2HA GLY 60 7.207 -11.472 8.489 Start of MODEL 22 1 H SER 1 1H SER 1 15.953 -5.571 5.840 2 HA SER 1 HA SER 1 13.428 -5.356 4.359 3 1HB SER 1 1HB SER 1 14.101 -4.395 7.155 4 2HB SER 1 2HB SER 1 12.573 -4.143 6.300 5 HG SER 1 HG SER 1 12.581 -6.587 6.197 6 H TRP 2 H TRP 2 13.377 -3.567 3.164 7 HA TRP 2 HA TRP 2 15.358 -1.444 3.697 8 1HB TRP 2 1HB TRP 2 15.853 -2.957 1.686 9 2HB TRP 2 2HB TRP 2 14.421 -2.265 0.940 10 HD1 TRP 2 HD1 TRP 2 14.565 0.603 0.796 11 HE1 TRP 2 1HE TRP 2 16.581 1.982 -0.023 12 HE3 TRP 2 3HE TRP 2 18.239 -2.872 1.465 13 HZ2 TRP 2 2HZ TRP 2 19.360 1.643 -0.335 14 HZ3 TRP 2 3HZ TRP 2 20.553 -2.273 0.879 15 HH2 TRP 2 HH2 TRP 2 21.102 -0.060 -0.005 16 H MET 3 H MET 3 14.618 0.660 3.428 17 HA MET 3 HA MET 3 11.822 1.034 3.720 18 1HB MET 3 1HB MET 3 12.383 3.461 3.700 19 2HB MET 3 2HB MET 3 13.273 2.525 4.880 20 1HG MET 3 1HG MET 3 14.859 3.964 4.022 21 2HG MET 3 2HG MET 3 15.153 2.479 3.127 22 1HE MET 3 1HE MET 3 16.521 4.555 2.341 23 2HE MET 3 2HE MET 3 16.352 4.204 0.620 24 3HE MET 3 3HE MET 3 15.925 5.799 1.240 25 H SER 4 H SER 4 11.033 3.178 2.353 26 HA SER 4 HA SER 4 10.148 3.920 0.402 27 1HB SER 4 1HB SER 4 12.580 3.979 -0.307 28 2HB SER 4 2HB SER 4 12.338 2.387 -1.023 29 HG SER 4 HG SER 4 11.249 4.875 -1.793 30 H THR 5 H THR 5 9.682 2.711 -2.031 31 HA THR 5 HA THR 5 8.095 0.433 -1.126 32 HB THR 5 HB THR 5 7.010 0.865 -3.490 33 HG1 THR 5 1HG THR 5 7.552 3.527 -2.960 34 1HG2 THR 5 1HG2 THR 5 5.410 2.406 -2.532 35 2HG2 THR 5 2HG2 THR 5 5.794 1.113 -1.392 36 3HG2 THR 5 3HG2 THR 5 6.496 2.718 -1.179 37 H VAL 6 H VAL 6 7.717 -1.304 -2.469 38 HA VAL 6 HA VAL 6 9.678 -2.048 -4.479 39 HB VAL 6 HB VAL 6 10.640 -3.262 -2.779 40 1HG1 VAL 6 1HG1 VAL 6 7.971 -3.146 -1.440 41 2HG1 VAL 6 2HG1 VAL 6 9.182 -4.308 -0.894 42 3HG1 VAL 6 3HG1 VAL 6 9.535 -2.580 -0.856 43 1HG2 VAL 6 1HG2 VAL 6 8.346 -4.951 -3.660 44 2HG2 VAL 6 2HG2 VAL 6 10.034 -5.024 -4.169 45 3HG2 VAL 6 3HG2 VAL 6 9.577 -5.559 -2.553 46 H GLY 7 H GLY 7 8.602 -3.897 -5.792 47 1HA GLY 7 1HA GLY 7 6.657 -4.749 -6.798 48 2HA GLY 7 2HA GLY 7 5.893 -4.544 -5.247 49 H GLY 8 H GLY 8 3.963 -3.798 -6.105 50 1HA GLY 8 1HA GLY 8 2.465 -2.255 -6.919 51 2HA GLY 8 2HA GLY 8 3.547 -1.093 -6.177 52 H ASN 9 H ASN 9 3.194 0.487 -7.724 53 HA ASN 9 HA ASN 9 4.589 -0.043 -10.237 54 1HB ASN 9 1HB ASN 9 2.980 1.194 -11.571 55 2HB ASN 9 2HB ASN 9 2.231 -0.190 -10.811 56 1HD2 ASN 9 1HD2 ASN 9 1.027 2.811 -8.569 57 2HD2 ASN 9 2HD2 ASN 9 2.541 1.991 -8.441 58 H SER 10 H SER 10 4.210 1.906 -7.540 59 HA SER 10 HA SER 10 5.028 4.393 -8.683 60 1HB SER 10 1HB SER 10 5.236 3.516 -5.795 61 2HB SER 10 2HB SER 10 5.167 5.162 -6.409 62 HG SER 10 HG SER 10 3.128 4.520 -5.663 63 H GLY 11 H GLY 11 6.682 1.977 -6.632 64 1HA GLY 11 1HA GLY 11 8.898 1.443 -6.383 65 2HA GLY 11 2HA GLY 11 9.043 1.848 -8.082 66 H GLY 12 H GLY 12 8.886 3.415 -4.881 67 1HA GLY 12 1HA GLY 12 11.168 4.636 -4.579 68 2HA GLY 12 2HA GLY 12 10.582 5.572 -5.947 69 H ALA 13 H ALA 13 7.806 5.475 -5.049 70 HA ALA 13 HA ALA 13 7.922 7.734 -3.275 71 1HB ALA 13 1HB ALA 13 6.283 7.536 -5.141 72 2HB ALA 13 2HB ALA 13 5.488 6.243 -4.243 73 3HB ALA 13 3HB ALA 13 5.545 7.875 -3.576 74 HA PRO 14 HA PRO 14 7.362 5.383 0.433 75 1HB PRO 14 1HB PRO 14 6.420 7.568 1.946 76 2HB PRO 14 2HB PRO 14 8.091 7.036 1.778 77 1HG PRO 14 1HG PRO 14 6.961 9.435 0.801 78 2HG PRO 14 2HG PRO 14 8.580 8.803 0.467 79 1HD PRO 14 1HD PRO 14 6.152 8.760 -1.221 80 2HD PRO 14 2HD PRO 14 7.865 8.669 -1.684 81 H CYS 15 H CYS 15 5.744 4.431 1.717 82 HA CYS 15 HA CYS 15 3.073 4.656 0.662 83 1HB CYS 15 1HB CYS 15 4.136 3.029 2.998 84 2HB CYS 15 2HB CYS 15 2.499 2.931 2.363 85 H VAL 16 H VAL 16 1.508 5.947 1.406 86 HA VAL 16 HA VAL 16 2.014 7.538 3.801 87 HB VAL 16 HB VAL 16 -0.145 7.863 1.710 88 1HG1 VAL 16 1HG1 VAL 16 0.735 9.574 4.013 89 2HG1 VAL 16 2HG1 VAL 16 -0.116 10.249 2.623 90 3HG1 VAL 16 3HG1 VAL 16 -0.885 9.005 3.611 91 1HG2 VAL 16 1HG2 VAL 16 2.573 8.242 1.358 92 2HG2 VAL 16 2HG2 VAL 16 1.281 8.922 0.369 93 3HG2 VAL 16 3HG2 VAL 16 1.959 9.860 1.700 94 H PHE 17 H PHE 17 1.095 7.037 5.665 95 HA PHE 17 HA PHE 17 -1.367 5.449 5.635 96 1HB PHE 17 1HB PHE 17 0.887 5.501 7.640 97 2HB PHE 17 2HB PHE 17 -0.640 4.690 7.910 98 HD1 PHE 17 1HD PHE 17 -1.313 3.101 5.780 99 HD2 PHE 17 2HD PHE 17 2.590 4.203 7.039 100 HE1 PHE 17 1HE PHE 17 -0.392 1.125 4.651 101 HE2 PHE 17 2HE PHE 17 3.528 2.232 5.924 102 HZ PHE 17 HZ PHE 17 2.050 0.666 4.705 103 HA PRO 18 HA PRO 18 -2.798 4.857 6.722 104 1HB PRO 18 1HB PRO 18 -5.454 5.375 7.113 105 2HB PRO 18 2HB PRO 18 -4.355 4.828 8.378 106 1HG PRO 18 1HG PRO 18 -5.610 7.431 8.036 107 2HG PRO 18 2HG PRO 18 -4.740 6.789 9.437 108 1HD PRO 18 1HD PRO 18 -3.815 8.634 7.396 109 2HD PRO 18 2HD PRO 18 -3.006 8.143 8.892 110 H PHE 19 H PHE 19 -3.383 4.158 4.736 111 HA PHE 19 HA PHE 19 -4.438 6.210 2.910 112 1HB PHE 19 1HB PHE 19 -3.569 4.959 1.067 113 2HB PHE 19 2HB PHE 19 -2.279 5.132 2.248 114 HD1 PHE 19 1HD PHE 19 -1.461 3.203 3.482 115 HD2 PHE 19 2HD PHE 19 -4.528 2.812 0.559 116 HE1 PHE 19 1HE PHE 19 -1.100 0.771 3.423 117 HE2 PHE 19 2HE PHE 19 -4.166 0.383 0.498 118 HZ PHE 19 HZ PHE 19 -2.448 -0.642 1.933 119 H THR 20 H THR 20 -6.429 6.009 2.128 120 HA THR 20 HA THR 20 -7.978 3.748 3.098 121 HB THR 20 HB THR 20 -9.001 6.165 1.598 122 HG1 THR 20 1HG THR 20 -9.199 7.172 3.595 123 1HG2 THR 20 1HG2 THR 20 -10.602 5.289 3.795 124 2HG2 THR 20 2HG2 THR 20 -11.027 5.464 2.092 125 3HG2 THR 20 3HG2 THR 20 -10.319 3.956 2.674 126 H PHE 21 H PHE 21 -8.657 2.131 1.963 127 HA PHE 21 HA PHE 21 -8.781 2.335 -0.979 128 1HB PHE 21 1HB PHE 21 -6.790 0.974 0.021 129 2HB PHE 21 2HB PHE 21 -8.015 -0.186 0.465 130 HD1 PHE 21 1HD PHE 21 -8.878 1.438 -2.605 131 HD2 PHE 21 2HD PHE 21 -6.525 -1.670 -0.907 132 HE1 PHE 21 1HE PHE 21 -8.713 0.353 -4.790 133 HE2 PHE 21 2HE PHE 21 -6.363 -2.764 -3.085 134 HZ PHE 21 HZ PHE 21 -7.436 -1.739 -5.061 135 H LEU 22 H LEU 22 -10.552 1.182 -1.857 136 HA LEU 22 HA LEU 22 -12.737 0.663 -1.920 137 1HB LEU 22 1HB LEU 22 -11.422 -1.365 -0.221 138 2HB LEU 22 2HB LEU 22 -12.985 -1.636 -0.976 139 HG LEU 22 HG LEU 22 -11.808 -2.463 -2.684 140 1HD1 LEU 22 1HD1 LEU 22 -11.451 0.351 -3.034 141 2HD1 LEU 22 2HD1 LEU 22 -10.269 -0.649 -3.880 142 3HD1 LEU 22 3HD1 LEU 22 -11.993 -0.881 -4.172 143 1HD2 LEU 22 1HD2 LEU 22 -9.767 -1.965 -0.865 144 2HD2 LEU 22 2HD2 LEU 22 -9.891 -3.223 -2.097 145 3HD2 LEU 22 3HD2 LEU 22 -9.191 -1.657 -2.505 146 H GLY 23 H GLY 23 -12.303 2.616 0.137 147 1HA GLY 23 1HA GLY 23 -13.875 3.608 1.557 148 2HA GLY 23 2HA GLY 23 -14.678 2.057 1.711 149 H ASN 24 H ASN 24 -11.639 1.142 2.366 150 HA ASN 24 HA ASN 24 -11.979 1.803 5.212 151 1HB ASN 24 1HB ASN 24 -10.714 -0.594 3.877 152 2HB ASN 24 2HB ASN 24 -10.729 -0.312 5.611 153 1HD2 ASN 24 1HD2 ASN 24 -13.900 -1.875 3.730 154 2HD2 ASN 24 2HD2 ASN 24 -12.412 -1.514 2.941 155 H LYS 25 H LYS 25 -10.428 2.731 6.302 156 HA LYS 25 HA LYS 25 -8.167 3.759 4.904 157 1HB LYS 25 1HB LYS 25 -8.889 4.027 7.825 158 2HB LYS 25 2HB LYS 25 -7.908 5.094 6.852 159 1HG LYS 25 1HG LYS 25 -9.813 6.303 6.810 160 2HG LYS 25 2HG LYS 25 -10.139 5.253 5.432 161 1HD LYS 25 1HD LYS 25 -11.345 3.716 6.985 162 2HD LYS 25 2HD LYS 25 -11.148 4.924 8.257 163 1HE LYS 25 1HE LYS 25 -12.416 6.532 6.973 164 2HE LYS 25 2HE LYS 25 -12.528 5.408 5.619 165 1HZ LYS 25 1HZ LYS 25 -13.566 3.954 7.625 166 2HZ LYS 25 2HZ LYS 25 -14.062 5.520 8.069 167 3HZ LYS 25 3HZ LYS 25 -14.484 4.897 6.549 168 H TYR 26 H TYR 26 -6.238 2.797 4.839 169 HA TYR 26 HA TYR 26 -5.757 0.616 6.724 170 1HB TYR 26 1HB TYR 26 -4.416 1.198 4.091 171 2HB TYR 26 2HB TYR 26 -4.171 -0.223 5.097 172 HD1 TYR 26 1HD TYR 26 -7.194 -0.492 5.816 173 HD2 TYR 26 2HD TYR 26 -5.121 -0.012 2.144 174 HE1 TYR 26 1HE TYR 26 -8.991 -1.673 4.653 175 HE2 TYR 26 2HE TYR 26 -6.911 -1.192 0.975 176 HH TYR 26 HH TYR 26 -9.723 -1.518 1.783 177 H GLU 27 H GLU 27 -4.652 1.148 8.347 178 HA GLU 27 HA GLU 27 -2.766 3.334 8.363 179 1HB GLU 27 1HB GLU 27 -3.642 1.431 10.521 180 2HB GLU 27 2HB GLU 27 -2.631 2.834 10.761 181 1HG GLU 27 1HG GLU 27 -4.471 4.267 9.968 182 2HG GLU 27 2HG GLU 27 -5.486 2.832 9.825 183 H SER 28 H SER 28 -2.715 0.024 7.857 184 HA SER 28 HA SER 28 0.198 -0.020 8.005 185 1HB SER 28 1HB SER 28 -0.165 -2.515 8.579 186 2HB SER 28 2HB SER 28 -0.408 -1.350 9.874 187 HG SER 28 HG SER 28 -2.240 -2.435 10.022 188 H CYS 29 H CYS 29 0.742 -2.326 6.710 189 HA CYS 29 HA CYS 29 -0.101 -1.746 4.067 190 1HB CYS 29 1HB CYS 29 1.229 -4.246 5.102 191 2HB CYS 29 2HB CYS 29 1.096 -3.769 3.425 192 H THR 30 H THR 30 -1.121 -3.324 2.648 193 HA THR 30 HA THR 30 -3.116 -5.049 3.942 194 HB THR 30 HB THR 30 -4.213 -2.822 3.467 195 HG1 THR 30 1HG THR 30 -5.615 -4.485 3.344 196 1HG2 THR 30 1HG2 THR 30 -4.498 -3.045 0.659 197 2HG2 THR 30 2HG2 THR 30 -3.811 -1.719 1.597 198 3HG2 THR 30 3HG2 THR 30 -2.774 -3.029 1.030 199 H SER 31 H SER 31 -4.386 -6.075 1.904 200 HA SER 31 HA SER 31 -2.469 -6.709 -0.201 201 1HB SER 31 1HB SER 31 -3.225 -9.143 0.003 202 2HB SER 31 2HB SER 31 -2.164 -8.540 1.293 203 HG SER 31 HG SER 31 -4.855 -9.282 1.373 204 H ALA 32 H ALA 32 -4.883 -5.084 0.275 205 HA ALA 32 HA ALA 32 -7.162 -6.163 -0.988 206 1HB ALA 32 1HB ALA 32 -6.820 -4.058 0.554 207 2HB ALA 32 2HB ALA 32 -6.562 -3.221 -0.976 208 3HB ALA 32 3HB ALA 32 -8.090 -4.044 -0.672 209 H GLY 33 H GLY 33 -8.083 -5.768 -2.951 210 1HA GLY 33 1HA GLY 33 -8.202 -5.419 -5.204 211 2HA GLY 33 2HA GLY 33 -6.894 -4.268 -5.021 212 H ARG 34 H ARG 34 -5.910 -7.304 -3.864 213 HA ARG 34 HA ARG 34 -4.505 -7.679 -6.413 214 1HB ARG 34 1HB ARG 34 -3.787 -9.075 -3.858 215 2HB ARG 34 2HB ARG 34 -2.836 -8.824 -5.286 216 1HG ARG 34 1HG ARG 34 -2.831 -6.388 -4.774 217 2HG ARG 34 2HG ARG 34 -3.582 -6.793 -3.222 218 1HD ARG 34 1HD ARG 34 -1.038 -6.608 -3.264 219 2HD ARG 34 2HD ARG 34 -1.693 -8.054 -2.531 220 HE ARG 34 HE ARG 34 -0.243 -7.807 -5.003 221 1HH1 ARG 34 1HH1 ARG 34 -2.042 -9.803 -2.870 222 2HH1 ARG 34 2HH1 ARG 34 -1.619 -11.263 -3.698 223 1HH2 ARG 34 1HH2 ARG 34 0.392 -9.575 -6.066 224 2HH2 ARG 34 2HH2 ARG 34 -0.134 -11.145 -5.538 225 H SER 35 H SER 35 -3.669 -10.359 -5.902 226 HA SER 35 HA SER 35 -6.194 -11.824 -6.179 227 1HB SER 35 1HB SER 35 -5.042 -13.129 -8.038 228 2HB SER 35 2HB SER 35 -5.514 -11.466 -8.410 229 HG SER 35 HG SER 35 -3.248 -12.288 -8.924 230 H ASP 36 H ASP 36 -2.666 -12.158 -5.534 231 HA ASP 36 HA ASP 36 -3.209 -14.843 -4.535 232 1HB ASP 36 1HB ASP 36 -0.646 -14.890 -4.317 233 2HB ASP 36 2HB ASP 36 -1.363 -15.000 -5.916 234 H GLY 37 H GLY 37 -0.601 -12.923 -3.292 235 1HA GLY 37 1HA GLY 37 -1.971 -12.364 -0.845 236 2HA GLY 37 2HA GLY 37 -0.864 -13.704 -0.699 237 H LYS 38 H LYS 38 0.094 -11.008 -2.783 238 HA LYS 38 HA LYS 38 2.288 -10.466 -1.003 239 1HB LYS 38 1HB LYS 38 1.377 -9.093 -3.546 240 2HB LYS 38 2HB LYS 38 2.929 -8.862 -2.750 241 1HG LYS 38 1HG LYS 38 3.627 -11.030 -3.245 242 2HG LYS 38 2HG LYS 38 2.027 -11.541 -3.729 243 1HD LYS 38 1HD LYS 38 2.152 -10.164 -5.706 244 2HD LYS 38 2HD LYS 38 3.688 -9.477 -5.170 245 1HE LYS 38 1HE LYS 38 3.896 -11.243 -6.925 246 2HE LYS 38 2HE LYS 38 4.803 -11.570 -5.446 247 1HZ LYS 38 1HZ LYS 38 2.096 -12.649 -5.546 248 2HZ LYS 38 2HZ LYS 38 3.212 -13.355 -6.617 249 3HZ LYS 38 3HZ LYS 38 3.527 -13.341 -4.947 250 H MET 39 H MET 39 2.429 -8.681 0.397 251 HA MET 39 HA MET 39 -0.047 -7.156 0.584 252 1HB MET 39 1HB MET 39 2.213 -7.196 2.594 253 2HB MET 39 2HB MET 39 0.587 -6.583 2.809 254 1HG MET 39 1HG MET 39 0.541 -8.569 3.960 255 2HG MET 39 2HG MET 39 -0.186 -8.982 2.408 256 1HE MET 39 1HE MET 39 0.127 -11.339 3.373 257 2HE MET 39 2HE MET 39 1.631 -12.262 3.298 258 3HE MET 39 3HE MET 39 1.332 -11.164 4.648 259 H TRP 40 H TRP 40 -0.046 -4.920 0.558 260 HA TRP 40 HA TRP 40 2.465 -3.580 -0.175 261 1HB TRP 40 1HB TRP 40 1.287 -2.409 -2.009 262 2HB TRP 40 2HB TRP 40 1.349 -4.149 -2.281 263 HD1 TRP 40 HD1 TRP 40 -1.047 -5.485 -1.540 264 HE1 TRP 40 1HE TRP 40 -3.468 -4.680 -1.851 265 HE3 TRP 40 3HE TRP 40 -0.171 -0.501 -2.154 266 HZ2 TRP 40 2HZ TRP 40 -4.817 -2.263 -2.262 267 HZ3 TRP 40 3HZ TRP 40 -2.091 1.000 -2.470 268 HH2 TRP 40 HH2 TRP 40 -4.368 0.131 -2.531 269 H CYS 41 H CYS 41 1.632 -1.131 -0.688 270 HA CYS 41 HA CYS 41 -0.313 -0.128 1.171 271 1HB CYS 41 1HB CYS 41 1.496 1.459 2.174 272 2HB CYS 41 2HB CYS 41 1.327 -0.162 2.829 273 H ALA 42 H ALA 42 -1.060 1.875 0.507 274 HA ALA 42 HA ALA 42 -0.321 2.671 -2.134 275 1HB ALA 42 1HB ALA 42 -2.197 3.850 -0.112 276 2HB ALA 42 2HB ALA 42 -1.901 4.599 -1.682 277 3HB ALA 42 3HB ALA 42 -2.589 2.975 -1.590 278 H THR 43 H THR 43 0.499 4.671 -2.798 279 HA THR 43 HA THR 43 2.380 5.795 -0.858 280 HB THR 43 HB THR 43 3.584 6.618 -2.829 281 HG1 THR 43 1HG THR 43 2.296 6.952 -4.479 282 1HG2 THR 43 1HG2 THR 43 3.648 4.199 -4.022 283 2HG2 THR 43 2HG2 THR 43 4.503 4.591 -2.529 284 3HG2 THR 43 3HG2 THR 43 2.940 3.777 -2.462 285 H THR 44 H THR 44 -0.581 6.315 -1.342 286 HA THR 44 HA THR 44 -0.396 9.236 -1.268 287 HB THR 44 HB THR 44 -2.516 9.381 -2.557 288 HG1 THR 44 1HG THR 44 -3.607 7.642 -2.924 289 1HG2 THR 44 1HG2 THR 44 -0.558 7.777 -4.156 290 2HG2 THR 44 2HG2 THR 44 -1.676 9.020 -4.718 291 3HG2 THR 44 3HG2 THR 44 -0.289 9.464 -3.721 292 H ALA 45 H ALA 45 -2.136 10.215 -0.002 293 HA ALA 45 HA ALA 45 -2.768 8.784 2.339 294 1HB ALA 45 1HB ALA 45 -3.541 11.429 1.224 295 2HB ALA 45 2HB ALA 45 -4.515 10.768 2.541 296 3HB ALA 45 3HB ALA 45 -2.784 11.026 2.766 297 H ASN 46 H ASN 46 -4.523 9.343 -0.629 298 HA ASN 46 HA ASN 46 -6.562 7.441 0.297 299 1HB ASN 46 1HB ASN 46 -7.432 9.812 0.140 300 2HB ASN 46 2HB ASN 46 -7.098 9.747 -1.589 301 1HD2 ASN 46 1HD2 ASN 46 -10.463 8.265 -0.106 302 2HD2 ASN 46 2HD2 ASN 46 -9.335 9.197 0.804 303 H TYR 47 H TYR 47 -6.149 5.633 -0.771 304 HA TYR 47 HA TYR 47 -4.724 5.623 -3.246 305 1HB TYR 47 1HB TYR 47 -4.466 3.855 -1.524 306 2HB TYR 47 2HB TYR 47 -6.109 3.318 -1.870 307 HD1 TYR 47 1HD TYR 47 -2.885 3.989 -3.627 308 HD2 TYR 47 2HD TYR 47 -6.418 1.639 -3.426 309 HE1 TYR 47 1HE TYR 47 -2.048 2.586 -5.461 310 HE2 TYR 47 2HE TYR 47 -5.583 0.227 -5.245 311 HH TYR 47 HH TYR 47 -3.399 -0.404 -6.245 312 H ASP 48 H ASP 48 -8.107 5.230 -2.357 313 HA ASP 48 HA ASP 48 -9.094 4.064 -4.649 314 1HB ASP 48 1HB ASP 48 -10.323 6.095 -2.801 315 2HB ASP 48 2HB ASP 48 -11.216 5.364 -4.128 316 H ASP 49 H ASP 49 -8.262 7.424 -4.112 317 HA ASP 49 HA ASP 49 -9.349 8.295 -6.630 318 1HB ASP 49 1HB ASP 49 -7.887 9.634 -4.386 319 2HB ASP 49 2HB ASP 49 -8.074 10.461 -5.927 320 H ASP 50 H ASP 50 -6.030 8.520 -5.325 321 HA ASP 50 HA ASP 50 -4.921 9.053 -7.886 322 1HB ASP 50 1HB ASP 50 -3.696 8.437 -5.212 323 2HB ASP 50 2HB ASP 50 -2.711 8.670 -6.655 324 H ARG 51 H ARG 51 -5.147 6.104 -5.976 325 HA ARG 51 HA ARG 51 -4.616 3.967 -6.385 326 1HB ARG 51 1HB ARG 51 -5.211 4.828 -9.189 327 2HB ARG 51 2HB ARG 51 -5.079 3.155 -8.656 328 1HG ARG 51 1HG ARG 51 -6.764 4.592 -6.896 329 2HG ARG 51 2HG ARG 51 -7.340 4.805 -8.552 330 1HD ARG 51 1HD ARG 51 -6.738 2.182 -7.196 331 2HD ARG 51 2HD ARG 51 -8.347 2.885 -7.384 332 HE ARG 51 HE ARG 51 -7.055 2.653 -9.899 333 1HH1 ARG 51 1HH1 ARG 51 -8.642 0.737 -7.443 334 2HH1 ARG 51 2HH1 ARG 51 -9.164 -0.490 -8.554 335 1HH2 ARG 51 1HH2 ARG 51 -7.750 1.059 -11.360 336 2HH2 ARG 51 2HH2 ARG 51 -8.648 -0.309 -10.776 337 H LYS 52 H LYS 52 -2.392 5.224 -5.877 338 HA LYS 52 HA LYS 52 -0.475 3.998 -7.726 339 1HB LYS 52 1HB LYS 52 -0.194 6.606 -6.222 340 2HB LYS 52 2HB LYS 52 1.185 5.749 -6.903 341 1HG LYS 52 1HG LYS 52 0.351 5.998 -9.119 342 2HG LYS 52 2HG LYS 52 -1.196 6.598 -8.533 343 1HD LYS 52 1HD LYS 52 0.035 8.469 -9.326 344 2HD LYS 52 2HD LYS 52 0.046 8.553 -7.559 345 1HE LYS 52 1HE LYS 52 2.279 7.617 -7.501 346 2HE LYS 52 2HE LYS 52 2.267 7.400 -9.254 347 1HZ LYS 52 1HZ LYS 52 1.797 10.106 -8.227 348 2HZ LYS 52 2HZ LYS 52 3.370 9.491 -8.086 349 3HZ LYS 52 3HZ LYS 52 2.640 9.594 -9.613 350 H TRP 53 H TRP 53 0.388 2.297 -6.809 351 HA TRP 53 HA TRP 53 0.625 2.237 -3.879 352 1HB TRP 53 1HB TRP 53 -0.140 -0.037 -3.965 353 2HB TRP 53 2HB TRP 53 -1.288 1.004 -4.729 354 HD1 TRP 53 HD1 TRP 53 -0.821 1.082 -7.670 355 HE1 TRP 53 1HE TRP 53 -0.449 -1.003 -9.141 356 HE3 TRP 53 3HE TRP 53 0.535 -2.114 -4.026 357 HZ2 TRP 53 2HZ TRP 53 0.311 -3.728 -8.747 358 HZ3 TRP 53 3HZ TRP 53 1.073 -4.485 -4.610 359 HH2 TRP 53 HH2 TRP 53 0.961 -5.258 -6.926 360 H GLY 54 H GLY 54 1.838 0.354 -3.106 361 1HA GLY 54 1HA GLY 54 3.979 -0.725 -4.701 362 2HA GLY 54 2HA GLY 54 4.519 0.447 -3.500 363 H PHE 55 H PHE 55 4.928 -2.491 -3.689 364 HA PHE 55 HA PHE 55 3.402 -3.877 -1.813 365 1HB PHE 55 1HB PHE 55 6.104 -4.249 -3.022 366 2HB PHE 55 2HB PHE 55 5.619 -5.270 -1.680 367 HD1 PHE 55 1HD PHE 55 2.610 -4.781 -2.971 368 HD2 PHE 55 2HD PHE 55 6.304 -6.539 -4.141 369 HE1 PHE 55 1HE PHE 55 1.395 -6.306 -4.479 370 HE2 PHE 55 2HE PHE 55 5.091 -8.079 -5.644 371 HZ PHE 55 HZ PHE 55 2.637 -7.926 -5.836 372 H CYS 56 H CYS 56 4.166 -4.793 0.203 373 HA CYS 56 HA CYS 56 5.066 -2.706 1.995 374 1HB CYS 56 1HB CYS 56 3.158 -4.430 2.390 375 2HB CYS 56 2HB CYS 56 4.454 -5.563 2.751 376 HA PRO 57 HA PRO 57 9.297 -4.090 1.898 377 1HB PRO 57 1HB PRO 57 10.290 -2.708 3.926 378 2HB PRO 57 2HB PRO 57 9.728 -1.886 2.459 379 1HG PRO 57 1HG PRO 57 8.204 -2.441 4.969 380 2HG PRO 57 2HG PRO 57 8.469 -0.854 4.210 381 1HD PRO 57 1HD PRO 57 6.215 -2.177 3.784 382 2HD PRO 57 2HD PRO 57 7.034 -1.381 2.416 383 H ASP 58 H ASP 58 7.161 -5.200 3.820 384 HA ASP 58 HA ASP 58 8.848 -6.437 5.829 385 1HB ASP 58 1HB ASP 58 6.505 -5.531 6.315 386 2HB ASP 58 2HB ASP 58 5.900 -6.924 5.427 387 H GLN 59 H GLN 59 8.411 -7.016 2.769 388 HA GLN 59 HA GLN 59 8.180 -9.931 3.021 389 1HB GLN 59 1HB GLN 59 7.895 -8.160 0.588 390 2HB GLN 59 2HB GLN 59 7.847 -9.916 0.536 391 1HG GLN 59 1HG GLN 59 5.903 -9.825 2.099 392 2HG GLN 59 2HG GLN 59 5.913 -8.073 1.907 393 1HE2 GLN 59 1HE2 GLN 59 5.415 -9.095 -1.802 394 2HE2 GLN 59 2HE2 GLN 59 6.909 -8.854 -0.967 395 H GLY 60 H GLY 60 9.458 -9.769 0.157 396 1HA GLY 60 1HA GLY 60 12.236 -9.315 0.912 397 2HA GLY 60 2HA GLY 60 11.796 -10.953 0.454 Start of MODEL 23 1 H SER 1 1H SER 1 8.314 5.932 5.219 2 HA SER 1 HA SER 1 9.332 4.490 7.104 3 1HB SER 1 1HB SER 1 8.710 2.517 5.587 4 2HB SER 1 2HB SER 1 7.478 3.758 5.809 5 HG SER 1 HG SER 1 9.225 3.473 3.574 6 H TRP 2 H TRP 2 11.684 5.768 6.122 7 HA TRP 2 HA TRP 2 13.898 5.384 5.848 8 1HB TRP 2 1HB TRP 2 13.159 2.503 6.401 9 2HB TRP 2 2HB TRP 2 14.804 3.122 6.323 10 HD1 TRP 2 HD1 TRP 2 15.042 5.430 8.150 11 HE1 TRP 2 1HE TRP 2 14.414 5.376 10.652 12 HE3 TRP 2 3HE TRP 2 11.861 1.420 8.105 13 HZ2 TRP 2 2HZ TRP 2 12.787 3.838 12.365 14 HZ3 TRP 2 3HZ TRP 2 10.812 0.725 10.218 15 HH2 TRP 2 HH2 TRP 2 11.268 1.914 12.306 16 H MET 3 H MET 3 13.032 2.217 4.567 17 HA MET 3 HA MET 3 14.391 2.819 2.110 18 1HB MET 3 1HB MET 3 13.864 0.478 1.521 19 2HB MET 3 2HB MET 3 14.700 0.629 3.052 20 1HG MET 3 1HG MET 3 11.715 0.391 2.898 21 2HG MET 3 2HG MET 3 12.769 -1.027 2.894 22 1HE MET 3 1HE MET 3 15.135 -0.129 4.768 23 2HE MET 3 2HE MET 3 14.596 -0.656 6.363 24 3HE MET 3 3HE MET 3 14.368 -1.704 4.962 25 H SER 4 H SER 4 13.248 1.854 0.050 26 HA SER 4 HA SER 4 10.762 3.374 -0.222 27 1HB SER 4 1HB SER 4 12.476 2.039 -2.346 28 2HB SER 4 2HB SER 4 11.125 3.143 -2.638 29 HG SER 4 HG SER 4 13.424 3.848 -1.121 30 H THR 5 H THR 5 9.415 2.143 -2.197 31 HA THR 5 HA THR 5 8.347 -0.167 -0.837 32 HB THR 5 HB THR 5 6.711 0.031 -2.830 33 HG1 THR 5 1HG THR 5 6.822 2.216 -3.714 34 1HG2 THR 5 1HG2 THR 5 5.624 2.069 -1.902 35 2HG2 THR 5 2HG2 THR 5 5.988 0.822 -0.709 36 3HG2 THR 5 3HG2 THR 5 7.014 2.250 -0.829 37 H VAL 6 H VAL 6 7.403 -1.804 -2.467 38 HA VAL 6 HA VAL 6 9.426 -2.747 -4.397 39 HB VAL 6 HB VAL 6 7.845 -4.904 -3.307 40 1HG1 VAL 6 1HG1 VAL 6 10.525 -4.369 -4.175 41 2HG1 VAL 6 2HG1 VAL 6 10.528 -5.332 -2.695 42 3HG1 VAL 6 3HG1 VAL 6 9.642 -5.893 -4.113 43 1HG2 VAL 6 1HG2 VAL 6 9.443 -3.330 -1.306 44 2HG2 VAL 6 2HG2 VAL 6 7.749 -3.812 -1.216 45 3HG2 VAL 6 3HG2 VAL 6 9.016 -5.027 -1.084 46 H GLY 7 H GLY 7 8.001 -4.782 -5.480 47 1HA GLY 7 1HA GLY 7 6.408 -5.019 -7.174 48 2HA GLY 7 2HA GLY 7 5.339 -4.776 -5.827 49 H GLY 8 H GLY 8 3.841 -3.411 -6.172 50 1HA GLY 8 1HA GLY 8 2.588 -1.821 -7.334 51 2HA GLY 8 2HA GLY 8 3.665 -0.848 -6.372 52 H ASN 9 H ASN 9 3.960 0.863 -7.533 53 HA ASN 9 HA ASN 9 5.572 0.734 -9.891 54 1HB ASN 9 1HB ASN 9 4.051 1.998 -11.353 55 2HB ASN 9 2HB ASN 9 3.436 0.408 -10.977 56 1HD2 ASN 9 1HD2 ASN 9 1.334 2.716 -8.580 57 2HD2 ASN 9 2HD2 ASN 9 2.922 2.096 -8.275 58 H SER 10 H SER 10 6.033 1.722 -7.385 59 HA SER 10 HA SER 10 5.856 4.641 -7.676 60 1HB SER 10 1HB SER 10 6.933 4.020 -5.157 61 2HB SER 10 2HB SER 10 5.295 4.570 -5.500 62 HG SER 10 HG SER 10 4.574 2.521 -5.402 63 H GLY 11 H GLY 11 8.095 1.991 -7.014 64 1HA GLY 11 1HA GLY 11 10.319 1.817 -7.666 65 2HA GLY 11 2HA GLY 11 10.255 3.476 -8.241 66 H GLY 12 H GLY 12 10.361 5.193 -6.609 67 1HA GLY 12 1HA GLY 12 11.876 4.302 -4.234 68 2HA GLY 12 2HA GLY 12 12.299 5.740 -5.150 69 H ALA 13 H ALA 13 8.985 4.830 -4.355 70 HA ALA 13 HA ALA 13 8.860 7.232 -2.651 71 1HB ALA 13 1HB ALA 13 7.050 6.116 -4.670 72 2HB ALA 13 2HB ALA 13 6.253 6.619 -3.180 73 3HB ALA 13 3HB ALA 13 7.223 7.773 -4.094 74 HA PRO 14 HA PRO 14 7.883 4.425 0.650 75 1HB PRO 14 1HB PRO 14 7.187 6.236 2.535 76 2HB PRO 14 2HB PRO 14 8.858 5.998 2.011 77 1HG PRO 14 1HG PRO 14 6.997 8.214 1.432 78 2HG PRO 14 2HG PRO 14 8.768 8.202 1.442 79 1HD PRO 14 1HD PRO 14 7.043 8.081 -0.814 80 2HD PRO 14 2HD PRO 14 8.810 7.925 -0.797 81 H CYS 15 H CYS 15 6.088 3.872 2.184 82 HA CYS 15 HA CYS 15 3.535 4.199 0.835 83 1HB CYS 15 1HB CYS 15 4.323 2.509 3.227 84 2HB CYS 15 2HB CYS 15 2.719 2.524 2.504 85 H VAL 16 H VAL 16 1.874 5.414 1.546 86 HA VAL 16 HA VAL 16 2.331 7.088 3.907 87 HB VAL 16 HB VAL 16 0.238 7.313 1.728 88 1HG1 VAL 16 1HG1 VAL 16 0.647 8.796 4.255 89 2HG1 VAL 16 2HG1 VAL 16 0.287 9.755 2.819 90 3HG1 VAL 16 3HG1 VAL 16 -0.830 8.494 3.341 91 1HG2 VAL 16 1HG2 VAL 16 2.882 7.861 1.492 92 2HG2 VAL 16 2HG2 VAL 16 1.607 8.683 0.595 93 3HG2 VAL 16 3HG2 VAL 16 2.261 9.414 2.061 94 H PHE 17 H PHE 17 1.309 6.731 5.763 95 HA PHE 17 HA PHE 17 -1.110 5.080 5.746 96 1HB PHE 17 1HB PHE 17 1.158 5.118 7.741 97 2HB PHE 17 2HB PHE 17 -0.383 4.333 8.027 98 HD1 PHE 17 1HD PHE 17 -1.087 2.745 5.884 99 HD2 PHE 17 2HD PHE 17 2.836 3.759 7.172 100 HE1 PHE 17 1HE PHE 17 -0.202 0.727 4.798 101 HE2 PHE 17 2HE PHE 17 3.731 1.749 6.093 102 HZ PHE 17 HZ PHE 17 2.222 0.210 4.880 103 HA PRO 18 HA PRO 18 -2.602 4.536 6.866 104 1HB PRO 18 1HB PRO 18 -5.258 5.390 7.269 105 2HB PRO 18 2HB PRO 18 -4.262 4.476 8.401 106 1HG PRO 18 1HG PRO 18 -5.182 7.101 8.745 107 2HG PRO 18 2HG PRO 18 -3.931 6.295 9.705 108 1HD PRO 18 1HD PRO 18 -3.646 8.234 7.453 109 2HD PRO 18 2HD PRO 18 -2.618 7.994 8.880 110 H PHE 19 H PHE 19 -3.109 3.883 4.825 111 HA PHE 19 HA PHE 19 -4.178 5.949 3.025 112 1HB PHE 19 1HB PHE 19 -3.410 4.652 1.153 113 2HB PHE 19 2HB PHE 19 -2.078 4.863 2.277 114 HD1 PHE 19 1HD PHE 19 -1.525 2.889 3.829 115 HD2 PHE 19 2HD PHE 19 -4.024 2.559 0.394 116 HE1 PHE 19 1HE PHE 19 -1.140 0.460 3.779 117 HE2 PHE 19 2HE PHE 19 -3.645 0.132 0.349 118 HZ PHE 19 HZ PHE 19 -2.202 -0.920 2.041 119 H THR 20 H THR 20 -6.159 5.793 2.226 120 HA THR 20 HA THR 20 -7.753 3.567 3.207 121 HB THR 20 HB THR 20 -8.707 6.026 1.710 122 HG1 THR 20 1HG THR 20 -7.453 6.159 3.905 123 1HG2 THR 20 1HG2 THR 20 -10.150 4.315 3.720 124 2HG2 THR 20 2HG2 THR 20 -10.796 5.697 2.834 125 3HG2 THR 20 3HG2 THR 20 -10.364 4.222 1.972 126 H PHE 21 H PHE 21 -8.378 1.934 2.071 127 HA PHE 21 HA PHE 21 -8.491 2.126 -0.868 128 1HB PHE 21 1HB PHE 21 -6.457 0.864 0.097 129 2HB PHE 21 2HB PHE 21 -7.614 -0.328 0.636 130 HD1 PHE 21 1HD PHE 21 -8.270 1.287 -2.583 131 HD2 PHE 21 2HD PHE 21 -6.439 -2.003 -0.608 132 HE1 PHE 21 1HE PHE 21 -8.065 0.104 -4.718 133 HE2 PHE 21 2HE PHE 21 -6.241 -3.192 -2.730 134 HZ PHE 21 HZ PHE 21 -7.041 -2.133 -4.812 135 H LEU 22 H LEU 22 -10.231 1.039 -1.751 136 HA LEU 22 HA LEU 22 -12.390 0.478 -1.863 137 1HB LEU 22 1HB LEU 22 -11.038 -1.571 -0.228 138 2HB LEU 22 2HB LEU 22 -12.622 -1.845 -0.931 139 HG LEU 22 HG LEU 22 -11.570 -2.533 -2.773 140 1HD1 LEU 22 1HD1 LEU 22 -10.260 0.090 -2.913 141 2HD1 LEU 22 2HD1 LEU 22 -10.230 -1.132 -4.187 142 3HD1 LEU 22 3HD1 LEU 22 -11.759 -0.394 -3.706 143 1HD2 LEU 22 1HD2 LEU 22 -9.666 -2.656 -0.891 144 2HD2 LEU 22 2HD2 LEU 22 -9.644 -3.452 -2.467 145 3HD2 LEU 22 3HD2 LEU 22 -8.875 -1.875 -2.256 146 H GLY 23 H GLY 23 -12.034 2.397 0.241 147 1HA GLY 23 1HA GLY 23 -13.633 3.321 1.674 148 2HA GLY 23 2HA GLY 23 -14.424 1.760 1.756 149 H ASN 24 H ASN 24 -11.318 0.950 2.437 150 HA ASN 24 HA ASN 24 -11.797 1.375 5.313 151 1HB ASN 24 1HB ASN 24 -10.275 -0.805 3.875 152 2HB ASN 24 2HB ASN 24 -10.417 -0.660 5.616 153 1HD2 ASN 24 1HD2 ASN 24 -13.270 -2.424 3.471 154 2HD2 ASN 24 2HD2 ASN 24 -11.744 -1.941 2.838 155 H LYS 25 H LYS 25 -10.245 2.302 6.571 156 HA LYS 25 HA LYS 25 -8.029 3.587 5.295 157 1HB LYS 25 1HB LYS 25 -8.909 3.434 8.186 158 2HB LYS 25 2HB LYS 25 -7.710 4.522 7.535 159 1HG LYS 25 1HG LYS 25 -9.319 5.711 6.258 160 2HG LYS 25 2HG LYS 25 -10.555 4.493 6.593 161 1HD LYS 25 1HD LYS 25 -10.487 5.084 8.965 162 2HD LYS 25 2HD LYS 25 -9.268 6.316 8.627 163 1HE LYS 25 1HE LYS 25 -10.850 7.489 7.172 164 2HE LYS 25 2HE LYS 25 -12.058 6.241 7.478 165 1HZ LYS 25 1HZ LYS 25 -11.707 6.906 9.938 166 2HZ LYS 25 2HZ LYS 25 -11.060 8.343 9.300 167 3HZ LYS 25 3HZ LYS 25 -12.658 7.898 8.938 168 H TYR 26 H TYR 26 -6.045 2.654 5.079 169 HA TYR 26 HA TYR 26 -5.515 0.291 6.729 170 1HB TYR 26 1HB TYR 26 -4.277 1.180 4.123 171 2HB TYR 26 2HB TYR 26 -3.858 -0.285 5.000 172 HD1 TYR 26 1HD TYR 26 -7.131 -0.303 5.671 173 HD2 TYR 26 2HD TYR 26 -4.612 -0.524 2.265 174 HE1 TYR 26 1HE TYR 26 -8.883 -1.509 4.458 175 HE2 TYR 26 2HE TYR 26 -6.353 -1.731 1.046 176 HH TYR 26 HH TYR 26 -9.308 -1.734 1.589 177 H GLU 27 H GLU 27 -4.397 0.660 8.397 178 HA GLU 27 HA GLU 27 -2.483 2.832 8.577 179 1HB GLU 27 1HB GLU 27 -3.476 0.841 10.613 180 2HB GLU 27 2HB GLU 27 -2.450 2.214 10.953 181 1HG GLU 27 1HG GLU 27 -4.192 3.749 10.311 182 2HG GLU 27 2HG GLU 27 -5.209 2.411 9.786 183 H SER 28 H SER 28 -2.560 -0.507 8.013 184 HA SER 28 HA SER 28 0.359 -0.622 8.175 185 1HB SER 28 1HB SER 28 -0.031 -3.118 8.638 186 2HB SER 28 2HB SER 28 -0.328 -2.010 9.970 187 HG SER 28 HG SER 28 -2.615 -2.104 8.927 188 H CYS 29 H CYS 29 0.942 -2.810 6.791 189 HA CYS 29 HA CYS 29 0.120 -2.162 4.161 190 1HB CYS 29 1HB CYS 29 1.446 -4.712 5.062 191 2HB CYS 29 2HB CYS 29 1.417 -4.060 3.439 192 H THR 30 H THR 30 -0.965 -3.542 2.707 193 HA THR 30 HA THR 30 -2.953 -5.334 3.935 194 HB THR 30 HB THR 30 -3.952 -3.072 3.417 195 HG1 THR 30 1HG THR 30 -5.419 -4.695 3.316 196 1HG2 THR 30 1HG2 THR 30 -3.682 -3.747 0.518 197 2HG2 THR 30 2HG2 THR 30 -4.082 -2.210 1.285 198 3HG2 THR 30 3HG2 THR 30 -2.429 -2.819 1.342 199 H SER 31 H SER 31 -4.117 -6.536 2.115 200 HA SER 31 HA SER 31 -2.278 -7.159 -0.077 201 1HB SER 31 1HB SER 31 -3.026 -9.572 0.150 202 2HB SER 31 2HB SER 31 -1.996 -8.977 1.468 203 HG SER 31 HG SER 31 -4.692 -9.710 1.477 204 H ALA 32 H ALA 32 -4.695 -5.523 0.530 205 HA ALA 32 HA ALA 32 -6.994 -6.527 -0.742 206 1HB ALA 32 1HB ALA 32 -6.067 -3.957 0.314 207 2HB ALA 32 2HB ALA 32 -7.095 -3.781 -1.106 208 3HB ALA 32 3HB ALA 32 -7.691 -4.648 0.309 209 H GLY 33 H GLY 33 -7.871 -6.066 -2.776 210 1HA GLY 33 1HA GLY 33 -7.864 -5.570 -5.030 211 2HA GLY 33 2HA GLY 33 -6.366 -4.688 -4.781 212 H ARG 34 H ARG 34 -5.793 -7.667 -3.506 213 HA ARG 34 HA ARG 34 -4.771 -8.625 -6.092 214 1HB ARG 34 1HB ARG 34 -3.543 -9.576 -3.573 215 2HB ARG 34 2HB ARG 34 -2.852 -9.292 -5.133 216 1HG ARG 34 1HG ARG 34 -2.916 -6.876 -4.694 217 2HG ARG 34 2HG ARG 34 -3.508 -7.239 -3.063 218 1HD ARG 34 1HD ARG 34 -1.031 -6.938 -3.179 219 2HD ARG 34 2HD ARG 34 -1.500 -8.503 -2.562 220 HE ARG 34 HE ARG 34 -0.228 -7.892 -5.051 221 1HH1 ARG 34 1HH1 ARG 34 -1.720 -10.251 -3.066 222 2HH1 ARG 34 2HH1 ARG 34 -1.160 -11.575 -4.035 223 1HH2 ARG 34 1HH2 ARG 34 0.531 -9.497 -6.307 224 2HH2 ARG 34 2HH2 ARG 34 0.158 -11.145 -5.897 225 H SER 35 H SER 35 -4.040 -11.135 -5.560 226 HA SER 35 HA SER 35 -6.437 -12.425 -4.455 227 1HB SER 35 1HB SER 35 -6.534 -12.322 -6.937 228 2HB SER 35 2HB SER 35 -5.044 -13.262 -7.004 229 HG SER 35 HG SER 35 -7.465 -14.122 -5.779 230 H ASP 36 H ASP 36 -2.919 -12.631 -4.960 231 HA ASP 36 HA ASP 36 -2.891 -15.240 -3.697 232 1HB ASP 36 1HB ASP 36 -0.349 -14.973 -4.014 233 2HB ASP 36 2HB ASP 36 -1.348 -15.246 -5.426 234 H GLY 37 H GLY 37 -0.403 -12.891 -3.079 235 1HA GLY 37 1HA GLY 37 -1.372 -12.179 -0.525 236 2HA GLY 37 2HA GLY 37 -0.249 -13.504 -0.386 237 H LYS 38 H LYS 38 0.321 -10.934 -2.786 238 HA LYS 38 HA LYS 38 2.769 -10.296 -1.385 239 1HB LYS 38 1HB LYS 38 1.551 -9.206 -3.925 240 2HB LYS 38 2HB LYS 38 3.184 -8.874 -3.354 241 1HG LYS 38 1HG LYS 38 3.789 -11.159 -3.568 242 2HG LYS 38 2HG LYS 38 2.151 -11.614 -3.986 243 1HD LYS 38 1HD LYS 38 2.304 -10.370 -6.058 244 2HD LYS 38 2HD LYS 38 3.916 -9.793 -5.619 245 1HE LYS 38 1HE LYS 38 3.749 -11.778 -7.237 246 2HE LYS 38 2HE LYS 38 4.875 -11.911 -5.881 247 1HZ LYS 38 1HZ LYS 38 2.103 -12.989 -5.826 248 2HZ LYS 38 2HZ LYS 38 3.463 -13.904 -6.274 249 3HZ LYS 38 3HZ LYS 38 3.344 -13.271 -4.703 250 H MET 39 H MET 39 1.905 -9.341 0.517 251 HA MET 39 HA MET 39 0.011 -7.306 0.526 252 1HB MET 39 1HB MET 39 2.257 -7.607 2.527 253 2HB MET 39 2HB MET 39 0.704 -6.824 2.765 254 1HG MET 39 1HG MET 39 -0.415 -8.997 2.486 255 2HG MET 39 2HG MET 39 1.171 -9.763 2.359 256 1HE MET 39 1HE MET 39 2.982 -9.270 3.952 257 2HE MET 39 2HE MET 39 2.758 -8.009 5.165 258 3HE MET 39 3HE MET 39 2.730 -9.707 5.642 259 H TRP 40 H TRP 40 0.076 -5.179 0.331 260 HA TRP 40 HA TRP 40 2.649 -3.859 -0.220 261 1HB TRP 40 1HB TRP 40 1.496 -2.611 -2.036 262 2HB TRP 40 2HB TRP 40 1.594 -4.339 -2.366 263 HD1 TRP 40 HD1 TRP 40 -0.806 -5.739 -1.725 264 HE1 TRP 40 1HE TRP 40 -3.231 -4.964 -2.083 265 HE3 TRP 40 3HE TRP 40 0.011 -0.729 -2.183 266 HZ2 TRP 40 2HZ TRP 40 -4.602 -2.556 -2.465 267 HZ3 TRP 40 3HZ TRP 40 -1.925 0.747 -2.520 268 HH2 TRP 40 HH2 TRP 40 -4.183 -0.148 -2.668 269 H CYS 41 H CYS 41 1.796 -1.377 -0.710 270 HA CYS 41 HA CYS 41 -0.184 -0.420 1.107 271 1HB CYS 41 1HB CYS 41 1.609 1.118 2.244 272 2HB CYS 41 2HB CYS 41 1.304 -0.498 2.869 273 H ALA 42 H ALA 42 -0.901 1.594 0.463 274 HA ALA 42 HA ALA 42 -0.055 2.453 -2.107 275 1HB ALA 42 1HB ALA 42 -2.224 3.021 -0.343 276 2HB ALA 42 2HB ALA 42 -1.530 4.537 -0.922 277 3HB ALA 42 3HB ALA 42 -2.092 3.325 -2.075 278 H THR 43 H THR 43 0.774 4.501 -2.696 279 HA THR 43 HA THR 43 2.664 5.537 -0.707 280 HB THR 43 HB THR 43 3.949 6.337 -2.636 281 HG1 THR 43 1HG THR 43 2.681 6.757 -4.307 282 1HG2 THR 43 1HG2 THR 43 3.606 3.784 -3.804 283 2HG2 THR 43 2HG2 THR 43 4.874 4.327 -2.703 284 3HG2 THR 43 3HG2 THR 43 3.393 3.617 -2.060 285 H THR 44 H THR 44 -0.275 6.102 -1.343 286 HA THR 44 HA THR 44 -0.078 9.020 -1.170 287 HB THR 44 HB THR 44 -2.171 9.181 -2.523 288 HG1 THR 44 1HG THR 44 -3.206 7.432 -2.994 289 1HG2 THR 44 1HG2 THR 44 -1.132 8.281 -4.734 290 2HG2 THR 44 2HG2 THR 44 -0.409 9.660 -3.906 291 3HG2 THR 44 3HG2 THR 44 0.304 8.056 -3.735 292 H ALA 45 H ALA 45 -1.813 9.975 0.076 293 HA ALA 45 HA ALA 45 -2.527 8.511 2.359 294 1HB ALA 45 1HB ALA 45 -2.398 11.031 2.112 295 2HB ALA 45 2HB ALA 45 -4.014 10.944 1.409 296 3HB ALA 45 3HB ALA 45 -3.742 10.402 3.064 297 H ASN 46 H ASN 46 -4.276 9.133 -0.624 298 HA ASN 46 HA ASN 46 -6.298 7.185 0.246 299 1HB ASN 46 1HB ASN 46 -7.212 9.534 0.085 300 2HB ASN 46 2HB ASN 46 -6.824 9.505 -1.633 301 1HD2 ASN 46 1HD2 ASN 46 -10.242 7.993 -0.321 302 2HD2 ASN 46 2HD2 ASN 46 -9.185 8.980 0.616 303 H TYR 47 H TYR 47 -5.869 5.383 -0.825 304 HA TYR 47 HA TYR 47 -4.405 5.391 -3.278 305 1HB TYR 47 1HB TYR 47 -4.133 3.599 -1.599 306 2HB TYR 47 2HB TYR 47 -5.785 3.067 -1.922 307 HD1 TYR 47 1HD TYR 47 -2.601 3.765 -3.736 308 HD2 TYR 47 2HD TYR 47 -6.113 1.399 -3.468 309 HE1 TYR 47 1HE TYR 47 -1.800 2.378 -5.594 310 HE2 TYR 47 2HE TYR 47 -5.318 0.000 -5.314 311 HH TYR 47 HH TYR 47 -3.448 -0.568 -6.513 312 H ASP 48 H ASP 48 -7.784 5.006 -2.432 313 HA ASP 48 HA ASP 48 -8.748 3.872 -4.766 314 1HB ASP 48 1HB ASP 48 -9.972 5.673 -2.712 315 2HB ASP 48 2HB ASP 48 -10.884 5.219 -4.147 316 H ASP 49 H ASP 49 -7.864 7.183 -4.103 317 HA ASP 49 HA ASP 49 -9.014 8.116 -6.588 318 1HB ASP 49 1HB ASP 49 -7.622 9.467 -4.297 319 2HB ASP 49 2HB ASP 49 -7.907 10.320 -5.815 320 H ASP 50 H ASP 50 -5.736 8.360 -5.190 321 HA ASP 50 HA ASP 50 -4.586 9.034 -7.706 322 1HB ASP 50 1HB ASP 50 -3.296 8.268 -5.088 323 2HB ASP 50 2HB ASP 50 -2.407 8.810 -6.505 324 H ARG 51 H ARG 51 -5.026 5.984 -6.074 325 HA ARG 51 HA ARG 51 -4.372 3.889 -6.501 326 1HB ARG 51 1HB ARG 51 -4.926 4.971 -9.220 327 2HB ARG 51 2HB ARG 51 -4.572 3.272 -8.941 328 1HG ARG 51 1HG ARG 51 -6.502 4.310 -7.090 329 2HG ARG 51 2HG ARG 51 -7.040 4.460 -8.763 330 1HD ARG 51 1HD ARG 51 -6.067 1.958 -7.396 331 2HD ARG 51 2HD ARG 51 -7.747 2.353 -7.735 332 HE ARG 51 HE ARG 51 -7.347 1.988 -10.041 333 1HH1 ARG 51 1HH1 ARG 51 -4.566 1.253 -8.037 334 2HH1 ARG 51 2HH1 ARG 51 -3.790 0.301 -9.261 335 1HH2 ARG 51 1HH2 ARG 51 -6.322 0.741 -11.629 336 2HH2 ARG 51 2HH2 ARG 51 -4.773 0.027 -11.305 337 H LYS 52 H LYS 52 -2.158 5.144 -5.823 338 HA LYS 52 HA LYS 52 -0.180 3.952 -7.626 339 1HB LYS 52 1HB LYS 52 0.022 6.525 -6.069 340 2HB LYS 52 2HB LYS 52 1.454 5.661 -6.608 341 1HG LYS 52 1HG LYS 52 0.786 5.867 -8.909 342 2HG LYS 52 2HG LYS 52 -0.739 6.611 -8.442 343 1HD LYS 52 1HD LYS 52 0.530 8.504 -7.471 344 2HD LYS 52 2HD LYS 52 2.025 7.748 -8.025 345 1HE LYS 52 1HE LYS 52 1.050 7.809 -10.353 346 2HE LYS 52 2HE LYS 52 -0.247 8.814 -9.700 347 1HZ LYS 52 1HZ LYS 52 2.210 9.912 -8.889 348 2HZ LYS 52 2HZ LYS 52 2.301 9.605 -10.562 349 3HZ LYS 52 3HZ LYS 52 1.050 10.574 -9.943 350 H TRP 53 H TRP 53 0.670 2.234 -6.751 351 HA TRP 53 HA TRP 53 0.814 2.061 -3.816 352 1HB TRP 53 1HB TRP 53 0.075 -0.216 -3.997 353 2HB TRP 53 2HB TRP 53 -1.065 0.830 -4.766 354 HD1 TRP 53 HD1 TRP 53 -0.520 0.980 -7.678 355 HE1 TRP 53 1HE TRP 53 -0.100 -1.075 -9.185 356 HE3 TRP 53 3HE TRP 53 0.810 -2.259 -4.078 357 HZ2 TRP 53 2HZ TRP 53 0.702 -3.787 -8.831 358 HZ3 TRP 53 3HZ TRP 53 1.406 -4.599 -4.692 359 HH2 TRP 53 HH2 TRP 53 1.350 -5.337 -7.028 360 H GLY 54 H GLY 54 1.995 0.030 -3.187 361 1HA GLY 54 1HA GLY 54 4.206 -0.885 -4.749 362 2HA GLY 54 2HA GLY 54 4.698 0.274 -3.514 363 H PHE 55 H PHE 55 5.193 -2.687 -3.735 364 HA PHE 55 HA PHE 55 3.617 -4.064 -1.876 365 1HB PHE 55 1HB PHE 55 6.364 -4.498 -2.979 366 2HB PHE 55 2HB PHE 55 5.763 -5.518 -1.691 367 HD1 PHE 55 1HD PHE 55 2.829 -5.053 -3.017 368 HD2 PHE 55 2HD PHE 55 6.581 -6.626 -4.272 369 HE1 PHE 55 1HE PHE 55 1.670 -6.529 -4.616 370 HE2 PHE 55 2HE PHE 55 5.424 -8.092 -5.882 371 HZ PHE 55 HZ PHE 55 2.976 -8.022 -6.070 372 H CYS 56 H CYS 56 4.187 -4.871 0.191 373 HA CYS 56 HA CYS 56 5.045 -2.806 1.980 374 1HB CYS 56 1HB CYS 56 3.244 -4.532 2.438 375 2HB CYS 56 2HB CYS 56 4.527 -5.727 2.582 376 HA PRO 57 HA PRO 57 9.317 -3.999 1.976 377 1HB PRO 57 1HB PRO 57 10.250 -2.490 3.934 378 2HB PRO 57 2HB PRO 57 9.649 -1.762 2.433 379 1HG PRO 57 1HG PRO 57 8.200 -2.228 4.999 380 2HG PRO 57 2HG PRO 57 8.348 -0.697 4.113 381 1HD PRO 57 1HD PRO 57 6.170 -2.250 3.887 382 2HD PRO 57 2HD PRO 57 6.830 -1.394 2.474 383 H ASP 58 H ASP 58 7.193 -5.033 4.007 384 HA ASP 58 HA ASP 58 8.991 -6.912 5.282 385 1HB ASP 58 1HB ASP 58 8.678 -4.858 6.808 386 2HB ASP 58 2HB ASP 58 7.029 -5.435 7.031 387 H GLN 59 H GLN 59 8.022 -8.606 4.232 388 HA GLN 59 HA GLN 59 5.141 -8.963 4.740 389 1HB GLN 59 1HB GLN 59 6.828 -10.022 2.471 390 2HB GLN 59 2HB GLN 59 5.158 -10.481 2.757 391 1HG GLN 59 1HG GLN 59 4.589 -8.035 2.558 392 2HG GLN 59 2HG GLN 59 6.240 -7.793 1.982 393 1HE2 GLN 59 1HE2 GLN 59 5.356 -8.545 -1.254 394 2HE2 GLN 59 2HE2 GLN 59 6.321 -7.650 -0.134 395 H GLY 60 H GLY 60 6.416 -9.667 6.851 396 1HA GLY 60 1HA GLY 60 6.592 -12.607 6.698 397 2HA GLY 60 2HA GLY 60 7.801 -11.683 7.582 Start of MODEL 24 1 H SER 1 1H SER 1 13.682 3.470 11.241 2 HA SER 1 HA SER 1 12.037 2.097 10.015 3 1HB SER 1 1HB SER 1 12.096 3.799 8.090 4 2HB SER 1 2HB SER 1 12.034 4.449 9.730 5 HG SER 1 HG SER 1 13.614 5.547 8.583 6 H TRP 2 H TRP 2 11.732 1.783 7.473 7 HA TRP 2 HA TRP 2 13.956 0.072 6.582 8 1HB TRP 2 1HB TRP 2 11.005 -0.290 6.024 9 2HB TRP 2 2HB TRP 2 12.297 -1.371 5.509 10 HD1 TRP 2 HD1 TRP 2 13.746 -2.456 7.742 11 HE1 TRP 2 1HE TRP 2 12.733 -3.420 9.905 12 HE3 TRP 2 3HE TRP 2 9.149 -0.215 7.546 13 HZ2 TRP 2 2HZ TRP 2 10.311 -3.227 11.349 14 HZ3 TRP 2 3HZ TRP 2 7.545 -0.649 9.362 15 HH2 TRP 2 HH2 TRP 2 8.120 -2.128 11.225 16 H MET 3 H MET 3 13.423 -0.432 4.043 17 HA MET 3 HA MET 3 13.863 2.100 2.759 18 1HB MET 3 1HB MET 3 14.197 0.788 0.734 19 2HB MET 3 2HB MET 3 15.119 0.120 2.067 20 1HG MET 3 1HG MET 3 13.574 -1.696 2.303 21 2HG MET 3 2HG MET 3 12.452 -0.952 1.163 22 1HE MET 3 1HE MET 3 16.072 -1.576 1.596 23 2HE MET 3 2HE MET 3 16.381 -2.992 0.587 24 3HE MET 3 3HE MET 3 16.600 -1.369 -0.071 25 H SER 4 H SER 4 12.725 1.810 0.301 26 HA SER 4 HA SER 4 10.028 2.645 0.823 27 1HB SER 4 1HB SER 4 11.501 2.343 -1.805 28 2HB SER 4 2HB SER 4 9.964 3.177 -1.572 29 HG SER 4 HG SER 4 11.233 4.843 -1.291 30 H THR 5 H THR 5 8.751 1.841 -1.504 31 HA THR 5 HA THR 5 7.646 -0.600 -0.684 32 HB THR 5 HB THR 5 6.334 -0.437 -2.769 33 HG1 THR 5 1HG THR 5 8.412 1.053 -3.561 34 1HG2 THR 5 1HG2 THR 5 6.588 2.271 -1.493 35 2HG2 THR 5 2HG2 THR 5 5.176 1.578 -2.294 36 3HG2 THR 5 3HG2 THR 5 5.734 0.914 -0.759 37 H VAL 6 H VAL 6 7.273 -2.457 -2.252 38 HA VAL 6 HA VAL 6 9.790 -3.197 -3.609 39 HB VAL 6 HB VAL 6 8.135 -5.359 -2.498 40 1HG1 VAL 6 1HG1 VAL 6 11.056 -4.884 -2.874 41 2HG1 VAL 6 2HG1 VAL 6 10.460 -6.221 -1.890 42 3HG1 VAL 6 3HG1 VAL 6 10.020 -6.113 -3.596 43 1HG2 VAL 6 1HG2 VAL 6 9.808 -3.646 -0.686 44 2HG2 VAL 6 2HG2 VAL 6 8.055 -3.850 -0.637 45 3HG2 VAL 6 3HG2 VAL 6 9.114 -5.210 -0.262 46 H GLY 7 H GLY 7 6.873 -2.449 -4.073 47 1HA GLY 7 1HA GLY 7 6.581 -3.969 -6.492 48 2HA GLY 7 2HA GLY 7 5.322 -4.206 -5.308 49 H GLY 8 H GLY 8 3.808 -3.363 -6.799 50 1HA GLY 8 1HA GLY 8 2.398 -1.655 -7.383 51 2HA GLY 8 2HA GLY 8 3.387 -0.575 -6.422 52 H ASN 9 H ASN 9 2.774 0.851 -8.250 53 HA ASN 9 HA ASN 9 4.586 0.464 -10.522 54 1HB ASN 9 1HB ASN 9 3.197 2.280 -11.643 55 2HB ASN 9 2HB ASN 9 2.440 0.719 -11.426 56 1HD2 ASN 9 1HD2 ASN 9 0.965 2.917 -8.505 57 2HD2 ASN 9 2HD2 ASN 9 2.556 2.254 -8.518 58 H SER 10 H SER 10 4.524 1.934 -7.634 59 HA SER 10 HA SER 10 5.763 4.424 -8.452 60 1HB SER 10 1HB SER 10 5.466 3.313 -5.649 61 2HB SER 10 2HB SER 10 5.722 4.987 -6.124 62 HG SER 10 HG SER 10 3.489 4.376 -5.581 63 H GLY 11 H GLY 11 6.659 1.713 -6.288 64 1HA GLY 11 1HA GLY 11 8.629 0.498 -6.232 65 2HA GLY 11 2HA GLY 11 9.243 1.481 -7.544 66 H GLY 12 H GLY 12 9.611 3.885 -6.773 67 1HA GLY 12 1HA GLY 12 11.452 3.606 -4.533 68 2HA GLY 12 2HA GLY 12 11.403 4.938 -5.674 69 H ALA 13 H ALA 13 8.335 4.988 -5.082 70 HA ALA 13 HA ALA 13 8.597 6.985 -3.029 71 1HB ALA 13 1HB ALA 13 7.005 7.046 -5.039 72 2HB ALA 13 2HB ALA 13 5.971 5.993 -4.072 73 3HB ALA 13 3HB ALA 13 6.400 7.597 -3.478 74 HA PRO 14 HA PRO 14 7.666 4.397 0.425 75 1HB PRO 14 1HB PRO 14 7.015 6.711 1.991 76 2HB PRO 14 2HB PRO 14 8.511 5.774 2.002 77 1HG PRO 14 1HG PRO 14 8.259 8.381 1.088 78 2HG PRO 14 2HG PRO 14 9.583 7.277 0.680 79 1HD PRO 14 1HD PRO 14 7.205 8.064 -0.937 80 2HD PRO 14 2HD PRO 14 8.846 7.627 -1.455 81 H CYS 15 H CYS 15 5.913 3.995 1.981 82 HA CYS 15 HA CYS 15 3.340 4.475 0.732 83 1HB CYS 15 1HB CYS 15 4.075 2.781 3.140 84 2HB CYS 15 2HB CYS 15 2.485 2.842 2.386 85 H VAL 16 H VAL 16 1.616 5.578 1.672 86 HA VAL 16 HA VAL 16 2.346 7.305 3.949 87 HB VAL 16 HB VAL 16 0.220 7.748 1.843 88 1HG1 VAL 16 1HG1 VAL 16 0.122 8.749 4.307 89 2HG1 VAL 16 2HG1 VAL 16 1.192 9.941 3.571 90 3HG1 VAL 16 3HG1 VAL 16 -0.410 9.655 2.892 91 1HG2 VAL 16 1HG2 VAL 16 2.961 8.060 1.600 92 2HG2 VAL 16 2HG2 VAL 16 1.721 8.784 0.575 93 3HG2 VAL 16 3HG2 VAL 16 2.366 9.684 1.949 94 H PHE 17 H PHE 17 1.388 6.860 5.841 95 HA PHE 17 HA PHE 17 -1.222 5.518 5.798 96 1HB PHE 17 1HB PHE 17 1.015 5.277 7.809 97 2HB PHE 17 2HB PHE 17 -0.583 4.588 8.008 98 HD1 PHE 17 1HD PHE 17 -1.363 3.085 5.902 99 HD2 PHE 17 2HD PHE 17 2.638 3.928 7.062 100 HE1 PHE 17 1HE PHE 17 -0.592 1.085 4.706 101 HE2 PHE 17 2HE PHE 17 3.429 1.933 5.869 102 HZ PHE 17 HZ PHE 17 1.821 0.487 4.665 103 HA PRO 18 HA PRO 18 -2.627 4.974 7.032 104 1HB PRO 18 1HB PRO 18 -5.205 5.672 7.640 105 2HB PRO 18 2HB PRO 18 -4.043 5.048 8.813 106 1HG PRO 18 1HG PRO 18 -5.154 7.724 8.575 107 2HG PRO 18 2HG PRO 18 -4.204 7.023 9.894 108 1HD PRO 18 1HD PRO 18 -3.340 8.807 7.765 109 2HD PRO 18 2HD PRO 18 -2.450 8.279 9.208 110 H PHE 19 H PHE 19 -3.506 4.319 5.099 111 HA PHE 19 HA PHE 19 -4.518 6.530 3.435 112 1HB PHE 19 1HB PHE 19 -3.985 5.273 1.440 113 2HB PHE 19 2HB PHE 19 -2.558 5.405 2.447 114 HD1 PHE 19 1HD PHE 19 -1.843 3.363 3.780 115 HD2 PHE 19 2HD PHE 19 -4.776 3.229 0.699 116 HE1 PHE 19 1HE PHE 19 -1.471 0.943 3.527 117 HE2 PHE 19 2HE PHE 19 -4.413 0.811 0.450 118 HZ PHE 19 HZ PHE 19 -2.759 -0.338 1.865 119 H THR 20 H THR 20 -6.041 5.232 1.593 120 HA THR 20 HA THR 20 -7.906 3.598 3.143 121 HB THR 20 HB THR 20 -8.690 6.137 1.662 122 HG1 THR 20 1HG THR 20 -7.897 6.669 3.667 123 1HG2 THR 20 1HG2 THR 20 -10.921 5.674 2.841 124 2HG2 THR 20 2HG2 THR 20 -10.551 4.779 1.361 125 3HG2 THR 20 3HG2 THR 20 -10.360 4.006 2.935 126 H PHE 21 H PHE 21 -8.622 1.942 2.044 127 HA PHE 21 HA PHE 21 -8.708 2.063 -0.906 128 1HB PHE 21 1HB PHE 21 -6.727 0.725 0.184 129 2HB PHE 21 2HB PHE 21 -7.977 -0.443 0.563 130 HD1 PHE 21 1HD PHE 21 -8.709 1.238 -2.500 131 HD2 PHE 21 2HD PHE 21 -6.425 -1.909 -0.780 132 HE1 PHE 21 1HE PHE 21 -8.467 0.194 -4.698 133 HE2 PHE 21 2HE PHE 21 -6.182 -2.954 -2.967 134 HZ PHE 21 HZ PHE 21 -7.191 -1.893 -4.960 135 H LEU 22 H LEU 22 -10.430 0.885 -1.780 136 HA LEU 22 HA LEU 22 -12.611 0.365 -1.885 137 1HB LEU 22 1HB LEU 22 -11.284 -1.694 -0.233 138 2HB LEU 22 2HB LEU 22 -12.831 -1.966 -1.019 139 HG LEU 22 HG LEU 22 -11.621 -2.711 -2.752 140 1HD1 LEU 22 1HD1 LEU 22 -12.001 -0.347 -3.494 141 2HD1 LEU 22 2HD1 LEU 22 -10.279 -0.143 -3.174 142 3HD1 LEU 22 3HD1 LEU 22 -10.819 -1.331 -4.359 143 1HD2 LEU 22 1HD2 LEU 22 -9.658 -2.344 -0.861 144 2HD2 LEU 22 2HD2 LEU 22 -9.692 -3.468 -2.221 145 3HD2 LEU 22 3HD2 LEU 22 -9.012 -1.851 -2.423 146 H GLY 23 H GLY 23 -12.239 2.250 0.262 147 1HA GLY 23 1HA GLY 23 -13.850 3.180 1.674 148 2HA GLY 23 2HA GLY 23 -14.666 1.630 1.731 149 H ASN 24 H ASN 24 -11.530 0.854 2.452 150 HA ASN 24 HA ASN 24 -12.068 1.145 5.330 151 1HB ASN 24 1HB ASN 24 -10.321 -0.853 3.888 152 2HB ASN 24 2HB ASN 24 -10.651 -0.829 5.609 153 1HD2 ASN 24 1HD2 ASN 24 -13.074 -2.720 3.094 154 2HD2 ASN 24 2HD2 ASN 24 -11.530 -2.072 2.669 155 H LYS 25 H LYS 25 -10.563 2.043 6.664 156 HA LYS 25 HA LYS 25 -8.465 3.589 5.495 157 1HB LYS 25 1HB LYS 25 -9.339 3.098 8.352 158 2HB LYS 25 2HB LYS 25 -8.185 4.304 7.840 159 1HG LYS 25 1HG LYS 25 -9.810 5.583 6.729 160 2HG LYS 25 2HG LYS 25 -10.969 4.250 6.757 161 1HD LYS 25 1HD LYS 25 -11.518 6.031 8.379 162 2HD LYS 25 2HD LYS 25 -11.223 4.479 9.157 163 1HE LYS 25 1HE LYS 25 -10.187 6.347 10.369 164 2HE LYS 25 2HE LYS 25 -8.995 5.173 9.794 165 1HZ LYS 25 1HZ LYS 25 -9.659 7.646 8.279 166 2HZ LYS 25 2HZ LYS 25 -8.440 7.600 9.466 167 3HZ LYS 25 3HZ LYS 25 -8.318 6.622 8.081 168 H TYR 26 H TYR 26 -6.409 2.830 5.179 169 HA TYR 26 HA TYR 26 -5.649 0.435 6.689 170 1HB TYR 26 1HB TYR 26 -4.666 1.487 4.040 171 2HB TYR 26 2HB TYR 26 -4.008 0.079 4.861 172 HD1 TYR 26 1HD TYR 26 -7.225 -0.249 5.754 173 HD2 TYR 26 2HD TYR 26 -4.909 -0.336 2.201 174 HE1 TYR 26 1HE TYR 26 -8.920 -1.641 4.693 175 HE2 TYR 26 2HE TYR 26 -6.601 -1.736 1.126 176 HH TYR 26 HH TYR 26 -8.670 -3.505 2.502 177 H GLU 27 H GLU 27 -4.580 0.958 8.354 178 HA GLU 27 HA GLU 27 -2.738 3.202 8.429 179 1HB GLU 27 1HB GLU 27 -3.634 1.284 10.573 180 2HB GLU 27 2HB GLU 27 -2.682 2.725 10.822 181 1HG GLU 27 1HG GLU 27 -4.479 4.137 10.172 182 2HG GLU 27 2HG GLU 27 -5.438 2.754 9.643 183 H SER 28 H SER 28 -2.740 -0.112 7.908 184 HA SER 28 HA SER 28 0.174 -0.224 8.151 185 1HB SER 28 1HB SER 28 -0.211 -2.693 8.660 186 2HB SER 28 2HB SER 28 -0.605 -1.575 9.961 187 HG SER 28 HG SER 28 -2.608 -2.221 9.858 188 H CYS 29 H CYS 29 0.759 -2.467 6.839 189 HA CYS 29 HA CYS 29 0.055 -1.872 4.159 190 1HB CYS 29 1HB CYS 29 1.331 -4.363 5.285 191 2HB CYS 29 2HB CYS 29 1.279 -3.928 3.590 192 H THR 30 H THR 30 -0.888 -3.503 2.693 193 HA THR 30 HA THR 30 -2.966 -5.146 3.944 194 HB THR 30 HB THR 30 -3.982 -2.897 3.436 195 HG1 THR 30 1HG THR 30 -5.447 -4.482 3.320 196 1HG2 THR 30 1HG2 THR 30 -4.434 -2.588 0.908 197 2HG2 THR 30 2HG2 THR 30 -2.909 -2.024 1.588 198 3HG2 THR 30 3HG2 THR 30 -2.967 -3.547 0.699 199 H SER 31 H SER 31 -4.176 -6.300 2.078 200 HA SER 31 HA SER 31 -2.302 -6.991 -0.068 201 1HB SER 31 1HB SER 31 -3.113 -9.382 0.177 202 2HB SER 31 2HB SER 31 -2.095 -8.786 1.504 203 HG SER 31 HG SER 31 -4.264 -9.949 1.909 204 H ALA 32 H ALA 32 -4.747 -5.323 0.458 205 HA ALA 32 HA ALA 32 -6.990 -6.356 -0.898 206 1HB ALA 32 1HB ALA 32 -6.272 -3.957 0.453 207 2HB ALA 32 2HB ALA 32 -6.865 -3.503 -1.145 208 3HB ALA 32 3HB ALA 32 -7.878 -4.465 -0.071 209 H GLY 33 H GLY 33 -7.848 -5.799 -2.917 210 1HA GLY 33 1HA GLY 33 -7.817 -5.303 -5.153 211 2HA GLY 33 2HA GLY 33 -6.363 -4.365 -4.866 212 H ARG 34 H ARG 34 -5.687 -7.399 -3.695 213 HA ARG 34 HA ARG 34 -4.558 -8.149 -6.304 214 1HB ARG 34 1HB ARG 34 -3.438 -9.322 -3.823 215 2HB ARG 34 2HB ARG 34 -2.680 -8.901 -5.322 216 1HG ARG 34 1HG ARG 34 -2.822 -6.522 -4.690 217 2HG ARG 34 2HG ARG 34 -3.429 -7.041 -3.110 218 1HD ARG 34 1HD ARG 34 -0.952 -6.641 -3.199 219 2HD ARG 34 2HD ARG 34 -1.380 -8.247 -2.658 220 HE ARG 34 HE ARG 34 -0.160 -7.476 -5.132 221 1HH1 ARG 34 1HH1 ARG 34 -1.599 -9.951 -3.247 222 2HH1 ARG 34 2HH1 ARG 34 -0.904 -11.229 -4.197 223 1HH2 ARG 34 1HH2 ARG 34 0.752 -9.015 -6.385 224 2HH2 ARG 34 2HH2 ARG 34 0.469 -10.689 -6.008 225 H SER 35 H SER 35 -3.859 -10.669 -6.061 226 HA SER 35 HA SER 35 -6.269 -12.106 -5.200 227 1HB SER 35 1HB SER 35 -5.939 -13.546 -7.282 228 2HB SER 35 2HB SER 35 -6.546 -11.907 -7.539 229 HG SER 35 HG SER 35 -4.465 -12.986 -8.671 230 H ASP 36 H ASP 36 -2.809 -12.052 -5.183 231 HA ASP 36 HA ASP 36 -2.771 -14.860 -4.384 232 1HB ASP 36 1HB ASP 36 -0.253 -14.586 -4.712 233 2HB ASP 36 2HB ASP 36 -1.263 -14.663 -6.142 234 H GLY 37 H GLY 37 -0.199 -12.692 -3.540 235 1HA GLY 37 1HA GLY 37 -1.176 -12.106 -0.961 236 2HA GLY 37 2HA GLY 37 -0.141 -13.506 -0.887 237 H LYS 38 H LYS 38 0.313 -10.518 -2.844 238 HA LYS 38 HA LYS 38 2.873 -10.158 -1.474 239 1HB LYS 38 1HB LYS 38 1.755 -8.856 -3.961 240 2HB LYS 38 2HB LYS 38 3.400 -8.693 -3.354 241 1HG LYS 38 1HG LYS 38 3.737 -11.079 -3.677 242 2HG LYS 38 2HG LYS 38 2.130 -11.219 -4.358 243 1HD LYS 38 1HD LYS 38 2.805 -9.666 -6.157 244 2HD LYS 38 2HD LYS 38 4.429 -9.607 -5.470 245 1HE LYS 38 1HE LYS 38 3.028 -12.026 -6.591 246 2HE LYS 38 2HE LYS 38 4.379 -11.167 -7.321 247 1HZ LYS 38 1HZ LYS 38 5.698 -11.774 -5.324 248 2HZ LYS 38 2HZ LYS 38 4.405 -12.755 -4.813 249 3HZ LYS 38 3HZ LYS 38 5.214 -13.104 -6.266 250 H MET 39 H MET 39 1.924 -9.240 0.481 251 HA MET 39 HA MET 39 0.054 -7.194 0.504 252 1HB MET 39 1HB MET 39 2.260 -7.532 2.542 253 2HB MET 39 2HB MET 39 0.712 -6.738 2.767 254 1HG MET 39 1HG MET 39 0.464 -8.789 3.826 255 2HG MET 39 2HG MET 39 -0.355 -8.988 2.280 256 1HE MET 39 1HE MET 39 -0.402 -11.420 2.947 257 2HE MET 39 2HE MET 39 0.936 -12.550 2.742 258 3HE MET 39 3HE MET 39 0.806 -11.600 4.221 259 H TRP 40 H TRP 40 0.091 -5.051 0.386 260 HA TRP 40 HA TRP 40 2.646 -3.684 -0.116 261 1HB TRP 40 1HB TRP 40 1.491 -2.419 -1.926 262 2HB TRP 40 2HB TRP 40 1.611 -4.143 -2.283 263 HD1 TRP 40 HD1 TRP 40 -0.775 -5.571 -1.626 264 HE1 TRP 40 1HE TRP 40 -3.209 -4.825 -1.979 265 HE3 TRP 40 3HE TRP 40 -0.026 -0.561 -2.067 266 HZ2 TRP 40 2HZ TRP 40 -4.621 -2.434 -2.350 267 HZ3 TRP 40 3HZ TRP 40 -1.976 0.901 -2.382 268 HH2 TRP 40 HH2 TRP 40 -4.230 -0.019 -2.531 269 H CYS 41 H CYS 41 1.643 -1.224 -0.651 270 HA CYS 41 HA CYS 41 -0.314 -0.326 1.205 271 1HB CYS 41 1HB CYS 41 1.424 1.253 2.349 272 2HB CYS 41 2HB CYS 41 1.211 -0.388 2.948 273 H ALA 42 H ALA 42 -0.966 1.799 0.723 274 HA ALA 42 HA ALA 42 -0.335 2.643 -1.919 275 1HB ALA 42 1HB ALA 42 -2.394 3.113 -0.114 276 2HB ALA 42 2HB ALA 42 -1.639 4.687 -0.362 277 3HB ALA 42 3HB ALA 42 -2.239 3.768 -1.745 278 H THR 43 H THR 43 0.640 4.551 -2.613 279 HA THR 43 HA THR 43 2.653 5.555 -0.745 280 HB THR 43 HB THR 43 3.792 6.381 -2.783 281 HG1 THR 43 1HG THR 43 2.432 6.705 -4.381 282 1HG2 THR 43 1HG2 THR 43 3.903 4.021 -3.951 283 2HG2 THR 43 2HG2 THR 43 4.637 4.313 -2.372 284 3HG2 THR 43 3HG2 THR 43 3.062 3.526 -2.482 285 H THR 44 H THR 44 -0.344 6.257 -1.379 286 HA THR 44 HA THR 44 0.013 9.162 -1.112 287 HB THR 44 HB THR 44 -2.123 9.447 -2.382 288 HG1 THR 44 1HG THR 44 -3.255 7.765 -2.880 289 1HG2 THR 44 1HG2 THR 44 -1.287 8.764 -4.645 290 2HG2 THR 44 2HG2 THR 44 -0.206 9.796 -3.711 291 3HG2 THR 44 3HG2 THR 44 0.113 8.065 -3.831 292 H ALA 45 H ALA 45 -1.693 10.196 0.162 293 HA ALA 45 HA ALA 45 -2.408 8.743 2.476 294 1HB ALA 45 1HB ALA 45 -2.407 11.402 1.745 295 2HB ALA 45 2HB ALA 45 -4.118 11.039 1.968 296 3HB ALA 45 3HB ALA 45 -2.976 10.745 3.281 297 H ASN 46 H ASN 46 -4.100 9.336 -0.520 298 HA ASN 46 HA ASN 46 -6.209 7.532 0.433 299 1HB ASN 46 1HB ASN 46 -7.085 9.876 0.297 300 2HB ASN 46 2HB ASN 46 -6.681 9.895 -1.415 301 1HD2 ASN 46 1HD2 ASN 46 -10.125 8.381 -0.133 302 2HD2 ASN 46 2HD2 ASN 46 -9.012 9.231 0.875 303 H TYR 47 H TYR 47 -5.916 5.711 -0.637 304 HA TYR 47 HA TYR 47 -4.514 5.649 -3.129 305 1HB TYR 47 1HB TYR 47 -4.266 3.894 -1.391 306 2HB TYR 47 2HB TYR 47 -5.923 3.387 -1.712 307 HD1 TYR 47 1HD TYR 47 -2.551 3.664 -3.176 308 HD2 TYR 47 2HD TYR 47 -6.440 2.005 -3.590 309 HE1 TYR 47 1HE TYR 47 -1.740 2.232 -4.989 310 HE2 TYR 47 2HE TYR 47 -5.634 0.578 -5.418 311 HH TYR 47 HH TYR 47 -3.245 -0.397 -6.059 312 H ASP 48 H ASP 48 -7.878 5.309 -2.155 313 HA ASP 48 HA ASP 48 -8.967 4.212 -4.436 314 1HB ASP 48 1HB ASP 48 -10.017 6.160 -2.418 315 2HB ASP 48 2HB ASP 48 -11.000 5.692 -3.798 316 H ASP 49 H ASP 49 -7.834 7.451 -3.906 317 HA ASP 49 HA ASP 49 -9.036 8.519 -6.305 318 1HB ASP 49 1HB ASP 49 -7.274 9.632 -4.151 319 2HB ASP 49 2HB ASP 49 -7.503 10.519 -5.652 320 H ASP 50 H ASP 50 -5.653 8.636 -5.236 321 HA ASP 50 HA ASP 50 -4.688 8.959 -7.887 322 1HB ASP 50 1HB ASP 50 -3.285 8.469 -5.269 323 2HB ASP 50 2HB ASP 50 -2.422 8.711 -6.785 324 H ARG 51 H ARG 51 -5.046 6.141 -5.854 325 HA ARG 51 HA ARG 51 -4.536 3.978 -6.112 326 1HB ARG 51 1HB ARG 51 -5.097 4.699 -8.971 327 2HB ARG 51 2HB ARG 51 -5.050 3.057 -8.336 328 1HG ARG 51 1HG ARG 51 -6.672 4.562 -6.625 329 2HG ARG 51 2HG ARG 51 -7.196 4.917 -8.276 330 1HD ARG 51 1HD ARG 51 -6.651 2.098 -7.637 331 2HD ARG 51 2HD ARG 51 -8.037 2.819 -6.815 332 HE ARG 51 HE ARG 51 -8.261 3.507 -9.490 333 1HH1 ARG 51 1HH1 ARG 51 -8.161 0.545 -7.647 334 2HH1 ARG 51 2HH1 ARG 51 -9.263 -0.297 -8.690 335 1HH2 ARG 51 1HH2 ARG 51 -9.674 2.424 -10.889 336 2HH2 ARG 51 2HH2 ARG 51 -10.119 0.771 -10.566 337 H LYS 52 H LYS 52 -2.283 5.296 -5.731 338 HA LYS 52 HA LYS 52 -0.376 3.996 -7.550 339 1HB LYS 52 1HB LYS 52 -0.080 6.554 -5.952 340 2HB LYS 52 2HB LYS 52 1.280 5.733 -6.715 341 1HG LYS 52 1HG LYS 52 0.335 6.040 -8.889 342 2HG LYS 52 2HG LYS 52 -1.164 6.657 -8.207 343 1HD LYS 52 1HD LYS 52 -0.020 8.634 -7.397 344 2HD LYS 52 2HD LYS 52 1.524 8.000 -7.975 345 1HE LYS 52 1HE LYS 52 0.818 8.135 -10.250 346 2HE LYS 52 2HE LYS 52 -0.840 8.494 -9.772 347 1HZ LYS 52 1HZ LYS 52 1.117 10.364 -8.758 348 2HZ LYS 52 2HZ LYS 52 0.986 10.341 -10.453 349 3HZ LYS 52 3HZ LYS 52 -0.386 10.647 -9.494 350 H TRP 53 H TRP 53 0.520 2.289 -6.682 351 HA TRP 53 HA TRP 53 0.736 2.121 -3.752 352 1HB TRP 53 1HB TRP 53 0.005 -0.163 -3.923 353 2HB TRP 53 2HB TRP 53 -1.153 0.886 -4.664 354 HD1 TRP 53 HD1 TRP 53 -0.657 1.057 -7.591 355 HE1 TRP 53 1HE TRP 53 -0.258 -0.994 -9.109 356 HE3 TRP 53 3HE TRP 53 0.672 -2.193 -4.012 357 HZ2 TRP 53 2HZ TRP 53 0.533 -3.728 -8.758 358 HZ3 TRP 53 3HZ TRP 53 1.248 -4.531 -4.616 359 HH2 TRP 53 HH2 TRP 53 1.185 -5.275 -6.951 360 H GLY 54 H GLY 54 1.934 0.100 -3.125 361 1HA GLY 54 1HA GLY 54 4.078 -0.916 -4.679 362 2HA GLY 54 2HA GLY 54 4.653 0.331 -3.569 363 H PHE 55 H PHE 55 5.181 -2.577 -3.527 364 HA PHE 55 HA PHE 55 3.665 -3.900 -1.602 365 1HB PHE 55 1HB PHE 55 6.494 -4.255 -2.540 366 2HB PHE 55 2HB PHE 55 5.775 -5.296 -1.327 367 HD1 PHE 55 1HD PHE 55 3.091 -4.500 -3.184 368 HD2 PHE 55 2HD PHE 55 6.730 -6.674 -3.543 369 HE1 PHE 55 1HE PHE 55 2.061 -5.925 -4.917 370 HE2 PHE 55 2HE PHE 55 5.696 -8.113 -5.277 371 HZ PHE 55 HZ PHE 55 3.367 -7.693 -5.976 372 H CYS 56 H CYS 56 4.254 -4.626 0.469 373 HA CYS 56 HA CYS 56 4.896 -2.530 2.287 374 1HB CYS 56 1HB CYS 56 3.371 -4.605 2.610 375 2HB CYS 56 2HB CYS 56 4.860 -5.487 2.912 376 HA PRO 57 HA PRO 57 9.310 -3.026 2.315 377 1HB PRO 57 1HB PRO 57 9.951 -2.011 4.698 378 2HB PRO 57 2HB PRO 57 9.340 -0.994 3.382 379 1HG PRO 57 1HG PRO 57 7.828 -2.284 5.604 380 2HG PRO 57 2HG PRO 57 7.829 -0.563 5.164 381 1HD PRO 57 1HD PRO 57 5.866 -2.150 4.341 382 2HD PRO 57 2HD PRO 57 6.583 -0.977 3.209 383 H ASP 58 H ASP 58 10.712 -3.371 4.793 384 HA ASP 58 HA ASP 58 10.934 -6.184 4.819 385 1HB ASP 58 1HB ASP 58 12.723 -4.489 5.456 386 2HB ASP 58 2HB ASP 58 11.904 -4.346 7.008 387 H GLN 59 H GLN 59 9.276 -7.396 5.447 388 HA GLN 59 HA GLN 59 7.500 -6.617 7.566 389 1HB GLN 59 1HB GLN 59 7.680 -9.224 6.053 390 2HB GLN 59 2HB GLN 59 6.346 -8.717 7.072 391 1HG GLN 59 1HG GLN 59 5.915 -6.847 5.554 392 2HG GLN 59 2HG GLN 59 7.228 -7.401 4.522 393 1HE2 GLN 59 1HE2 GLN 59 5.156 -9.481 2.724 394 2HE2 GLN 59 2HE2 GLN 59 6.560 -8.474 2.812 395 H GLY 60 H GLY 60 6.987 -8.093 9.382 396 1HA GLY 60 1HA GLY 60 9.155 -9.833 10.258 397 2HA GLY 60 2HA GLY 60 8.850 -8.412 11.247 Start of MODEL 25 1 H SER 1 1H SER 1 12.926 2.963 9.843 2 HA SER 1 HA SER 1 11.224 4.202 8.804 3 1HB SER 1 1HB SER 1 13.926 4.824 7.586 4 2HB SER 1 2HB SER 1 12.623 5.972 7.890 5 HG SER 1 HG SER 1 14.040 6.154 9.583 6 H TRP 2 H TRP 2 11.836 1.675 7.072 7 HA TRP 2 HA TRP 2 11.070 0.841 5.110 8 1HB TRP 2 1HB TRP 2 9.997 3.625 4.626 9 2HB TRP 2 2HB TRP 2 9.689 2.234 3.593 10 HD1 TRP 2 HD1 TRP 2 8.674 0.031 5.347 11 HE1 TRP 2 1HE TRP 2 6.589 0.254 6.848 12 HE3 TRP 2 3HE TRP 2 8.497 5.123 5.706 13 HZ2 TRP 2 2HZ TRP 2 5.065 2.338 8.019 14 HZ3 TRP 2 3HZ TRP 2 6.689 6.153 7.020 15 HH2 TRP 2 HH2 TRP 2 5.008 4.787 8.149 16 H MET 3 H MET 3 12.197 0.352 3.359 17 HA MET 3 HA MET 3 14.113 2.338 2.346 18 1HB MET 3 1HB MET 3 14.977 0.152 1.143 19 2HB MET 3 2HB MET 3 15.422 0.498 2.803 20 1HG MET 3 1HG MET 3 14.842 -1.809 2.593 21 2HG MET 3 2HG MET 3 13.634 -0.993 3.578 22 1HE MET 3 1HE MET 3 12.134 -3.163 3.276 23 2HE MET 3 2HE MET 3 11.594 -3.791 1.721 24 3HE MET 3 3HE MET 3 13.292 -3.924 2.186 25 H SER 4 H SER 4 11.690 2.917 1.623 26 HA SER 4 HA SER 4 10.407 3.475 -0.148 27 1HB SER 4 1HB SER 4 12.669 3.499 -1.368 28 2HB SER 4 2HB SER 4 12.233 1.898 -1.963 29 HG SER 4 HG SER 4 11.369 4.342 -2.786 30 H THR 5 H THR 5 9.548 1.978 -2.322 31 HA THR 5 HA THR 5 8.421 -0.352 -0.926 32 HB THR 5 HB THR 5 6.514 -0.082 -2.493 33 HG1 THR 5 1HG THR 5 8.107 1.382 -3.840 34 1HG2 THR 5 1HG2 THR 5 6.314 2.559 -1.530 35 2HG2 THR 5 2HG2 THR 5 5.543 1.095 -0.914 36 3HG2 THR 5 3HG2 THR 5 7.124 1.583 -0.301 37 H VAL 6 H VAL 6 7.702 -2.107 -2.319 38 HA VAL 6 HA VAL 6 9.583 -2.637 -4.542 39 HB VAL 6 HB VAL 6 7.953 -4.894 -3.681 40 1HG1 VAL 6 1HG1 VAL 6 10.188 -4.678 -5.066 41 2HG1 VAL 6 2HG1 VAL 6 10.912 -4.885 -3.471 42 3HG1 VAL 6 3HG1 VAL 6 9.823 -6.117 -4.111 43 1HG2 VAL 6 1HG2 VAL 6 8.872 -3.296 -1.577 44 2HG2 VAL 6 2HG2 VAL 6 8.200 -4.924 -1.488 45 3HG2 VAL 6 3HG2 VAL 6 9.942 -4.697 -1.640 46 H GLY 7 H GLY 7 8.095 -4.584 -5.782 47 1HA GLY 7 1HA GLY 7 6.503 -4.657 -7.485 48 2HA GLY 7 2HA GLY 7 5.434 -4.381 -6.147 49 H GLY 8 H GLY 8 4.013 -2.933 -6.566 50 1HA GLY 8 1HA GLY 8 2.931 -1.154 -7.535 51 2HA GLY 8 2HA GLY 8 4.207 -0.301 -6.701 52 H ASN 9 H ASN 9 4.209 1.359 -8.076 53 HA ASN 9 HA ASN 9 5.658 0.959 -10.557 54 1HB ASN 9 1HB ASN 9 3.954 2.768 -11.517 55 2HB ASN 9 2HB ASN 9 3.672 1.051 -11.692 56 1HD2 ASN 9 1HD2 ASN 9 1.109 3.354 -9.696 57 2HD2 ASN 9 2HD2 ASN 9 2.527 3.945 -10.498 58 H SER 10 H SER 10 4.524 2.973 -7.969 59 HA SER 10 HA SER 10 5.331 5.489 -8.638 60 1HB SER 10 1HB SER 10 5.713 4.194 -5.921 61 2HB SER 10 2HB SER 10 5.564 5.912 -6.241 62 HG SER 10 HG SER 10 3.578 4.930 -5.549 63 H GLY 11 H GLY 11 7.392 3.147 -6.901 64 1HA GLY 11 1HA GLY 11 9.659 2.825 -6.899 65 2HA GLY 11 2HA GLY 11 9.687 3.611 -8.468 66 H GLY 12 H GLY 12 9.817 4.149 -4.985 67 1HA GLY 12 1HA GLY 12 11.741 5.637 -4.376 68 2HA GLY 12 2HA GLY 12 11.080 6.759 -5.555 69 H ALA 13 H ALA 13 8.305 6.013 -4.673 70 HA ALA 13 HA ALA 13 8.209 7.949 -2.500 71 1HB ALA 13 1HB ALA 13 6.649 8.159 -4.390 72 2HB ALA 13 2HB ALA 13 5.952 6.591 -3.978 73 3HB ALA 13 3HB ALA 13 5.804 7.941 -2.856 74 HA PRO 14 HA PRO 14 7.645 4.769 0.532 75 1HB PRO 14 1HB PRO 14 7.068 6.368 2.640 76 2HB PRO 14 2HB PRO 14 8.694 6.234 1.966 77 1HG PRO 14 1HG PRO 14 6.733 8.434 1.751 78 2HG PRO 14 2HG PRO 14 8.498 8.483 1.638 79 1HD PRO 14 1HD PRO 14 6.635 8.523 -0.504 80 2HD PRO 14 2HD PRO 14 8.398 8.413 -0.620 81 H CYS 15 H CYS 15 5.979 3.979 2.085 82 HA CYS 15 HA CYS 15 3.376 4.149 0.888 83 1HB CYS 15 1HB CYS 15 3.829 2.979 3.623 84 2HB CYS 15 2HB CYS 15 2.748 2.433 2.351 85 H VAL 16 H VAL 16 1.893 5.705 1.341 86 HA VAL 16 HA VAL 16 2.272 7.381 3.699 87 HB VAL 16 HB VAL 16 0.274 7.663 1.443 88 1HG1 VAL 16 1HG1 VAL 16 -0.083 8.739 3.830 89 2HG1 VAL 16 2HG1 VAL 16 1.058 9.929 3.205 90 3HG1 VAL 16 3HG1 VAL 16 -0.457 9.624 2.353 91 1HG2 VAL 16 1HG2 VAL 16 2.904 7.940 1.111 92 2HG2 VAL 16 2HG2 VAL 16 1.739 8.986 0.305 93 3HG2 VAL 16 3HG2 VAL 16 2.552 9.542 1.766 94 H PHE 17 H PHE 17 1.458 6.505 5.505 95 HA PHE 17 HA PHE 17 -1.121 5.145 5.392 96 1HB PHE 17 1HB PHE 17 0.980 5.261 7.560 97 2HB PHE 17 2HB PHE 17 -0.546 4.410 7.699 98 HD1 PHE 17 1HD PHE 17 -0.935 2.831 5.452 99 HD2 PHE 17 2HD PHE 17 2.753 3.922 7.250 100 HE1 PHE 17 1HE PHE 17 0.117 0.828 4.502 101 HE2 PHE 17 2HE PHE 17 3.824 1.927 6.307 102 HZ PHE 17 HZ PHE 17 2.514 0.344 4.913 103 HA PRO 18 HA PRO 18 -2.667 4.636 6.430 104 1HB PRO 18 1HB PRO 18 -5.337 5.460 6.681 105 2HB PRO 18 2HB PRO 18 -4.381 4.619 7.897 106 1HG PRO 18 1HG PRO 18 -5.355 7.257 8.068 107 2HG PRO 18 2HG PRO 18 -4.174 6.500 9.149 108 1HD PRO 18 1HD PRO 18 -3.734 8.352 6.855 109 2HD PRO 18 2HD PRO 18 -2.790 8.153 8.347 110 H PHE 19 H PHE 19 -2.914 4.003 4.388 111 HA PHE 19 HA PHE 19 -3.933 5.963 2.468 112 1HB PHE 19 1HB PHE 19 -3.156 4.506 0.695 113 2HB PHE 19 2HB PHE 19 -1.852 4.838 1.826 114 HD1 PHE 19 1HD PHE 19 -1.442 3.013 3.636 115 HD2 PHE 19 2HD PHE 19 -3.573 2.361 0.022 116 HE1 PHE 19 1HE PHE 19 -1.006 0.601 3.818 117 HE2 PHE 19 2HE PHE 19 -3.140 -0.051 0.191 118 HZ PHE 19 HZ PHE 19 -1.852 -0.934 2.091 119 H THR 20 H THR 20 -5.898 5.862 1.684 120 HA THR 20 HA THR 20 -7.588 3.705 2.637 121 HB THR 20 HB THR 20 -8.384 6.195 1.110 122 HG1 THR 20 1HG THR 20 -7.208 6.263 3.337 123 1HG2 THR 20 1HG2 THR 20 -10.458 5.841 2.619 124 2HG2 THR 20 2HG2 THR 20 -10.285 4.917 1.128 125 3HG2 THR 20 3HG2 THR 20 -9.903 4.168 2.678 126 H PHE 21 H PHE 21 -8.122 2.049 1.534 127 HA PHE 21 HA PHE 21 -8.278 2.194 -1.401 128 1HB PHE 21 1HB PHE 21 -6.245 0.935 -0.443 129 2HB PHE 21 2HB PHE 21 -7.398 -0.227 0.154 130 HD1 PHE 21 1HD PHE 21 -8.172 1.282 -3.067 131 HD2 PHE 21 2HD PHE 21 -6.212 -1.922 -1.089 132 HE1 PHE 21 1HE PHE 21 -8.022 0.048 -5.181 133 HE2 PHE 21 2HE PHE 21 -6.064 -3.163 -3.180 134 HZ PHE 21 HZ PHE 21 -6.959 -2.174 -5.260 135 H LEU 22 H LEU 22 -10.041 1.053 -2.240 136 HA LEU 22 HA LEU 22 -12.201 0.497 -2.312 137 1HB LEU 22 1HB LEU 22 -10.882 -1.439 -0.514 138 2HB LEU 22 2HB LEU 22 -12.459 -1.751 -1.222 139 HG LEU 22 HG LEU 22 -11.354 -2.627 -2.957 140 1HD1 LEU 22 1HD1 LEU 22 -11.126 0.074 -3.451 141 2HD1 LEU 22 2HD1 LEU 22 -9.618 -0.702 -3.937 142 3HD1 LEU 22 3HD1 LEU 22 -11.149 -1.263 -4.603 143 1HD2 LEU 22 1HD2 LEU 22 -9.303 -2.208 -1.117 144 2HD2 LEU 22 2HD2 LEU 22 -9.510 -3.512 -2.288 145 3HD2 LEU 22 3HD2 LEU 22 -8.691 -2.021 -2.756 146 H GLY 23 H GLY 23 -11.754 2.538 -0.350 147 1HA GLY 23 1HA GLY 23 -13.285 3.633 1.027 148 2HA GLY 23 2HA GLY 23 -14.160 2.126 1.221 149 H ASN 24 H ASN 24 -11.093 1.197 1.923 150 HA ASN 24 HA ASN 24 -11.522 1.785 4.773 151 1HB ASN 24 1HB ASN 24 -9.990 -0.468 3.474 152 2HB ASN 24 2HB ASN 24 -10.254 -0.254 5.198 153 1HD2 ASN 24 1HD2 ASN 24 -12.905 -2.194 2.991 154 2HD2 ASN 24 2HD2 ASN 24 -11.308 -1.783 2.489 155 H LYS 25 H LYS 25 -9.997 2.827 5.917 156 HA LYS 25 HA LYS 25 -7.705 3.888 4.550 157 1HB LYS 25 1HB LYS 25 -8.654 4.199 7.405 158 2HB LYS 25 2HB LYS 25 -7.493 5.200 6.577 159 1HG LYS 25 1HG LYS 25 -9.159 6.036 5.065 160 2HG LYS 25 2HG LYS 25 -10.347 4.915 5.730 161 1HD LYS 25 1HD LYS 25 -10.750 7.102 6.631 162 2HD LYS 25 2HD LYS 25 -10.131 6.069 7.919 163 1HE LYS 25 1HE LYS 25 -7.964 7.056 7.761 164 2HE LYS 25 2HE LYS 25 -8.412 7.938 6.302 165 1HZ LYS 25 1HZ LYS 25 -10.196 8.533 8.432 166 2HZ LYS 25 2HZ LYS 25 -8.588 8.840 8.899 167 3HZ LYS 25 3HZ LYS 25 -9.233 9.580 7.510 168 H TYR 26 H TYR 26 -5.804 2.770 4.514 169 HA TYR 26 HA TYR 26 -5.448 0.689 6.524 170 1HB TYR 26 1HB TYR 26 -3.885 1.145 3.991 171 2HB TYR 26 2HB TYR 26 -3.817 -0.268 5.034 172 HD1 TYR 26 1HD TYR 26 -6.883 -0.386 5.508 173 HD2 TYR 26 2HD TYR 26 -4.502 0.002 2.013 174 HE1 TYR 26 1HE TYR 26 -8.625 -1.494 4.197 175 HE2 TYR 26 2HE TYR 26 -6.234 -1.099 0.705 176 HH TYR 26 HH TYR 26 -9.064 -1.300 1.217 177 H GLU 27 H GLU 27 -4.407 1.175 8.197 178 HA GLU 27 HA GLU 27 -2.462 3.301 8.319 179 1HB GLU 27 1HB GLU 27 -3.442 1.353 10.393 180 2HB GLU 27 2HB GLU 27 -2.427 2.742 10.705 181 1HG GLU 27 1HG GLU 27 -4.146 4.248 10.299 182 2HG GLU 27 2HG GLU 27 -5.094 3.067 9.393 183 H SER 28 H SER 28 -2.487 -0.039 7.801 184 HA SER 28 HA SER 28 0.422 -0.139 8.012 185 1HB SER 28 1HB SER 28 0.001 -2.609 8.637 186 2HB SER 28 2HB SER 28 -0.258 -1.406 9.896 187 HG SER 28 HG SER 28 -2.376 -1.716 9.802 188 H CYS 29 H CYS 29 0.889 -2.558 6.829 189 HA CYS 29 HA CYS 29 0.306 -2.040 4.116 190 1HB CYS 29 1HB CYS 29 1.258 -4.596 5.405 191 2HB CYS 29 2HB CYS 29 1.243 -4.285 3.686 192 H THR 30 H THR 30 -0.714 -3.644 2.692 193 HA THR 30 HA THR 30 -2.960 -5.083 3.867 194 HB THR 30 HB THR 30 -3.815 -2.772 3.296 195 HG1 THR 30 1HG THR 30 -5.398 -4.224 3.172 196 1HG2 THR 30 1HG2 THR 30 -3.939 -3.210 0.452 197 2HG2 THR 30 2HG2 THR 30 -3.410 -1.787 1.350 198 3HG2 THR 30 3HG2 THR 30 -2.268 -3.085 0.999 199 H SER 31 H SER 31 -4.121 -6.255 2.059 200 HA SER 31 HA SER 31 -2.283 -6.990 -0.098 201 1HB SER 31 1HB SER 31 -3.120 -9.379 0.199 202 2HB SER 31 2HB SER 31 -2.040 -8.776 1.471 203 HG SER 31 HG SER 31 -3.832 -9.830 2.390 204 H ALA 32 H ALA 32 -4.658 -5.276 0.436 205 HA ALA 32 HA ALA 32 -6.981 -6.256 -0.800 206 1HB ALA 32 1HB ALA 32 -6.450 -4.014 0.557 207 2HB ALA 32 2HB ALA 32 -6.270 -3.375 -1.077 208 3HB ALA 32 3HB ALA 32 -7.795 -4.109 -0.587 209 H GLY 33 H GLY 33 -7.678 -6.318 -2.871 210 1HA GLY 33 1HA GLY 33 -7.637 -6.085 -5.167 211 2HA GLY 33 2HA GLY 33 -6.330 -4.921 -4.984 212 H ARG 34 H ARG 34 -5.305 -7.486 -3.267 213 HA ARG 34 HA ARG 34 -3.954 -8.660 -5.598 214 1HB ARG 34 1HB ARG 34 -2.965 -8.383 -2.750 215 2HB ARG 34 2HB ARG 34 -2.131 -9.236 -4.023 216 1HG ARG 34 1HG ARG 34 -2.420 -6.836 -5.196 217 2HG ARG 34 2HG ARG 34 -2.317 -6.363 -3.501 218 1HD ARG 34 1HD ARG 34 -0.099 -6.445 -4.606 219 2HD ARG 34 2HD ARG 34 -0.227 -7.550 -3.233 220 HE ARG 34 HE ARG 34 0.024 -9.319 -4.653 221 1HH1 ARG 34 1HH1 ARG 34 -0.705 -6.467 -6.560 222 2HH1 ARG 34 2HH1 ARG 34 -0.429 -7.260 -8.083 223 1HH2 ARG 34 1HH2 ARG 34 0.365 -10.363 -6.628 224 2HH2 ARG 34 2HH2 ARG 34 0.142 -9.491 -8.115 225 H SER 35 H SER 35 -4.091 -9.729 -2.246 226 HA SER 35 HA SER 35 -4.629 -11.703 -1.279 227 1HB SER 35 1HB SER 35 -6.748 -11.897 -3.441 228 2HB SER 35 2HB SER 35 -6.744 -12.719 -1.882 229 HG SER 35 HG SER 35 -7.279 -10.897 -0.884 230 H ASP 36 H ASP 36 -2.615 -11.653 -3.323 231 HA ASP 36 HA ASP 36 -2.830 -14.346 -4.461 232 1HB ASP 36 1HB ASP 36 -1.660 -13.601 -6.293 233 2HB ASP 36 2HB ASP 36 -2.481 -12.133 -5.822 234 H GLY 37 H GLY 37 -1.040 -12.224 -2.468 235 1HA GLY 37 1HA GLY 37 0.153 -13.964 -0.807 236 2HA GLY 37 2HA GLY 37 1.233 -14.006 -2.190 237 H LYS 38 H LYS 38 1.880 -11.706 -2.962 238 HA LYS 38 HA LYS 38 3.311 -10.509 -0.867 239 1HB LYS 38 1HB LYS 38 2.713 -9.201 -3.512 240 2HB LYS 38 2HB LYS 38 4.141 -9.009 -2.502 241 1HG LYS 38 1HG LYS 38 4.967 -10.377 -4.114 242 2HG LYS 38 2HG LYS 38 4.426 -11.579 -2.958 243 1HD LYS 38 1HD LYS 38 2.310 -11.777 -4.251 244 2HD LYS 38 2HD LYS 38 2.984 -10.661 -5.442 245 1HE LYS 38 1HE LYS 38 4.747 -12.194 -5.969 246 2HE LYS 38 2HE LYS 38 4.279 -13.262 -4.647 247 1HZ LYS 38 1HZ LYS 38 2.069 -12.825 -6.347 248 2HZ LYS 38 2HZ LYS 38 3.401 -13.350 -7.268 249 3HZ LYS 38 3HZ LYS 38 2.846 -14.282 -5.960 250 H MET 39 H MET 39 2.947 -8.765 0.380 251 HA MET 39 HA MET 39 0.334 -7.476 0.140 252 1HB MET 39 1HB MET 39 2.353 -7.494 2.393 253 2HB MET 39 2HB MET 39 0.831 -6.631 2.413 254 1HG MET 39 1HG MET 39 -0.296 -8.867 2.042 255 2HG MET 39 2HG MET 39 1.270 -9.590 2.406 256 1HE MET 39 1HE MET 39 0.171 -10.982 4.330 257 2HE MET 39 2HE MET 39 -0.735 -10.289 5.673 258 3HE MET 39 3HE MET 39 -1.412 -10.257 4.044 259 H TRP 40 H TRP 40 0.235 -5.129 0.258 260 HA TRP 40 HA TRP 40 2.759 -3.808 -0.447 261 1HB TRP 40 1HB TRP 40 1.592 -2.570 -2.244 262 2HB TRP 40 2HB TRP 40 1.632 -4.306 -2.550 263 HD1 TRP 40 HD1 TRP 40 -0.809 -5.621 -1.843 264 HE1 TRP 40 1HE TRP 40 -3.204 -4.741 -2.149 265 HE3 TRP 40 3HE TRP 40 0.211 -0.646 -2.334 266 HZ2 TRP 40 2HZ TRP 40 -4.484 -2.276 -2.500 267 HZ3 TRP 40 3HZ TRP 40 -1.666 0.913 -2.617 268 HH2 TRP 40 HH2 TRP 40 -3.967 0.111 -2.709 269 H CYS 41 H CYS 41 2.016 -1.345 -0.913 270 HA CYS 41 HA CYS 41 0.208 -0.267 1.080 271 1HB CYS 41 1HB CYS 41 2.030 1.197 2.023 272 2HB CYS 41 2HB CYS 41 2.204 -0.508 2.437 273 H ALA 42 H ALA 42 -0.468 1.851 0.455 274 HA ALA 42 HA ALA 42 0.238 2.537 -2.271 275 1HB ALA 42 1HB ALA 42 -2.100 2.743 -1.374 276 2HB ALA 42 2HB ALA 42 -1.538 4.124 -0.429 277 3HB ALA 42 3HB ALA 42 -1.478 4.177 -2.191 278 H THR 43 H THR 43 0.921 4.683 -2.887 279 HA THR 43 HA THR 43 2.762 5.798 -0.890 280 HB THR 43 HB THR 43 4.088 6.582 -2.786 281 HG1 THR 43 1HG THR 43 2.524 6.902 -4.348 282 1HG2 THR 43 1HG2 THR 43 4.287 4.172 -3.930 283 2HG2 THR 43 2HG2 THR 43 4.952 4.548 -2.339 284 3HG2 THR 43 3HG2 THR 43 3.391 3.738 -2.473 285 H THR 44 H THR 44 -0.155 6.311 -1.547 286 HA THR 44 HA THR 44 0.018 9.221 -1.443 287 HB THR 44 HB THR 44 -2.128 9.274 -2.839 288 HG1 THR 44 1HG THR 44 -2.850 7.478 -3.613 289 1HG2 THR 44 1HG2 THR 44 -0.887 8.845 -5.042 290 2HG2 THR 44 2HG2 THR 44 -0.303 10.128 -3.980 291 3HG2 THR 44 3HG2 THR 44 0.527 8.571 -4.023 292 H ALA 45 H ALA 45 -1.650 10.163 -0.174 293 HA ALA 45 HA ALA 45 -2.469 8.692 2.047 294 1HB ALA 45 1HB ALA 45 -3.127 11.350 0.947 295 2HB ALA 45 2HB ALA 45 -4.277 10.672 2.099 296 3HB ALA 45 3HB ALA 45 -2.590 10.891 2.564 297 H ASN 46 H ASN 46 -4.220 9.459 -0.916 298 HA ASN 46 HA ASN 46 -6.275 7.516 -0.114 299 1HB ASN 46 1HB ASN 46 -7.091 9.886 -0.366 300 2HB ASN 46 2HB ASN 46 -6.652 9.795 -2.073 301 1HD2 ASN 46 1HD2 ASN 46 -10.103 8.325 -0.742 302 2HD2 ASN 46 2HD2 ASN 46 -8.991 9.192 0.252 303 H TYR 47 H TYR 47 -5.698 5.674 -1.060 304 HA TYR 47 HA TYR 47 -4.308 5.587 -3.558 305 1HB TYR 47 1HB TYR 47 -3.980 3.892 -1.766 306 2HB TYR 47 2HB TYR 47 -5.617 3.308 -2.061 307 HD1 TYR 47 1HD TYR 47 -2.374 3.882 -3.831 308 HD2 TYR 47 2HD TYR 47 -5.964 1.605 -3.618 309 HE1 TYR 47 1HE TYR 47 -1.539 2.409 -5.610 310 HE2 TYR 47 2HE TYR 47 -5.119 0.126 -5.388 311 HH TYR 47 HH TYR 47 -2.299 -0.337 -6.221 312 H ASP 48 H ASP 48 -7.645 5.310 -2.581 313 HA ASP 48 HA ASP 48 -8.689 3.953 -4.749 314 1HB ASP 48 1HB ASP 48 -9.835 5.940 -2.842 315 2HB ASP 48 2HB ASP 48 -10.789 5.427 -4.228 316 H ASP 49 H ASP 49 -7.841 7.352 -4.490 317 HA ASP 49 HA ASP 49 -8.993 7.908 -7.102 318 1HB ASP 49 1HB ASP 49 -7.794 9.669 -4.973 319 2HB ASP 49 2HB ASP 49 -8.270 10.272 -6.553 320 H ASP 50 H ASP 50 -5.827 8.390 -5.515 321 HA ASP 50 HA ASP 50 -4.593 9.055 -8.020 322 1HB ASP 50 1HB ASP 50 -3.500 8.703 -5.244 323 2HB ASP 50 2HB ASP 50 -2.490 9.111 -6.630 324 H ARG 51 H ARG 51 -5.072 6.133 -6.336 325 HA ARG 51 HA ARG 51 -4.151 4.076 -6.424 326 1HB ARG 51 1HB ARG 51 -4.535 4.726 -9.317 327 2HB ARG 51 2HB ARG 51 -4.476 3.107 -8.624 328 1HG ARG 51 1HG ARG 51 -6.319 4.093 -7.044 329 2HG ARG 51 2HG ARG 51 -6.572 5.197 -8.393 330 1HD ARG 51 1HD ARG 51 -6.319 2.362 -9.065 331 2HD ARG 51 2HD ARG 51 -7.756 2.818 -8.149 332 HE ARG 51 HE ARG 51 -7.521 4.653 -10.214 333 1HH1 ARG 51 1HH1 ARG 51 -7.892 1.170 -9.981 334 2HH1 ARG 51 2HH1 ARG 51 -8.889 1.061 -11.398 335 1HH2 ARG 51 1HH2 ARG 51 -8.795 4.498 -12.094 336 2HH2 ARG 51 2HH2 ARG 51 -9.386 2.948 -12.607 337 H LYS 52 H LYS 52 -1.977 5.305 -5.776 338 HA LYS 52 HA LYS 52 0.057 4.211 -7.593 339 1HB LYS 52 1HB LYS 52 0.236 6.655 -5.808 340 2HB LYS 52 2HB LYS 52 1.643 5.898 -6.541 341 1HG LYS 52 1HG LYS 52 0.806 6.367 -8.754 342 2HG LYS 52 2HG LYS 52 -0.692 7.000 -8.084 343 1HD LYS 52 1HD LYS 52 0.479 8.945 -8.526 344 2HD LYS 52 2HD LYS 52 0.883 8.669 -6.834 345 1HE LYS 52 1HE LYS 52 2.608 7.739 -9.127 346 2HE LYS 52 2HE LYS 52 2.804 9.304 -8.336 347 1HZ LYS 52 1HZ LYS 52 3.096 8.041 -6.211 348 2HZ LYS 52 2HZ LYS 52 3.153 6.612 -7.125 349 3HZ LYS 52 3HZ LYS 52 4.334 7.810 -7.350 350 H TRP 53 H TRP 53 1.024 2.499 -6.783 351 HA TRP 53 HA TRP 53 1.091 2.202 -3.855 352 1HB TRP 53 1HB TRP 53 0.384 -0.096 -4.132 353 2HB TRP 53 2HB TRP 53 -0.771 0.986 -4.832 354 HD1 TRP 53 HD1 TRP 53 -0.430 1.275 -7.687 355 HE1 TRP 53 1HE TRP 53 0.078 -0.629 -9.346 356 HE3 TRP 53 3HE TRP 53 1.299 -2.060 -4.383 357 HZ2 TRP 53 2HZ TRP 53 1.102 -3.295 -9.219 358 HZ3 TRP 53 3HZ TRP 53 2.055 -4.303 -5.172 359 HH2 TRP 53 HH2 TRP 53 1.953 -4.888 -7.546 360 H GLY 54 H GLY 54 2.278 0.162 -3.258 361 1HA GLY 54 1HA GLY 54 4.531 -0.679 -4.812 362 2HA GLY 54 2HA GLY 54 4.987 0.410 -3.499 363 H PHE 55 H PHE 55 5.493 -2.525 -3.874 364 HA PHE 55 HA PHE 55 3.863 -3.934 -2.037 365 1HB PHE 55 1HB PHE 55 6.511 -4.484 -3.327 366 2HB PHE 55 2HB PHE 55 5.913 -5.531 -2.054 367 HD1 PHE 55 1HD PHE 55 2.967 -5.186 -2.933 368 HD2 PHE 55 2HD PHE 55 6.540 -6.203 -4.997 369 HE1 PHE 55 1HE PHE 55 1.650 -6.510 -4.540 370 HE2 PHE 55 2HE PHE 55 5.232 -7.523 -6.615 371 HZ PHE 55 HZ PHE 55 2.788 -7.675 -6.393 372 H CYS 56 H CYS 56 4.582 -4.910 -0.035 373 HA CYS 56 HA CYS 56 6.120 -3.033 1.596 374 1HB CYS 56 1HB CYS 56 4.113 -5.206 2.225 375 2HB CYS 56 2HB CYS 56 5.189 -4.579 3.481 376 HA PRO 57 HA PRO 57 9.643 -5.606 2.119 377 1HB PRO 57 1HB PRO 57 10.006 -6.087 4.739 378 2HB PRO 57 2HB PRO 57 10.298 -4.506 3.997 379 1HG PRO 57 1HG PRO 57 7.826 -5.523 5.319 380 2HG PRO 57 2HG PRO 57 8.702 -4.020 5.685 381 1HD PRO 57 1HD PRO 57 6.547 -3.944 4.151 382 2HD PRO 57 2HD PRO 57 7.994 -3.036 3.643 383 H ASP 58 H ASP 58 6.828 -6.869 2.653 384 HA ASP 58 HA ASP 58 5.879 -8.923 2.614 385 1HB ASP 58 1HB ASP 58 7.291 -9.317 0.733 386 2HB ASP 58 2HB ASP 58 8.671 -9.653 1.765 387 H GLN 59 H GLN 59 5.512 -10.783 3.832 388 HA GLN 59 HA GLN 59 6.464 -10.629 6.517 389 1HB GLN 59 1HB GLN 59 4.682 -12.661 5.155 390 2HB GLN 59 2HB GLN 59 5.014 -12.626 6.881 391 1HG GLN 59 1HG GLN 59 2.894 -11.618 6.481 392 2HG GLN 59 2HG GLN 59 4.028 -10.368 6.968 393 1HE2 GLN 59 1HE2 GLN 59 3.292 -8.405 4.252 394 2HE2 GLN 59 2HE2 GLN 59 3.782 -8.556 5.899 395 H GLY 60 H GLY 60 6.984 -12.889 3.828 396 1HA GLY 60 1HA GLY 60 9.525 -13.598 4.209 397 2HA GLY 60 2HA GLY 60 8.740 -14.525 5.480 Start of MODEL 26 1 H SER 1 1H SER 1 12.413 7.320 0.696 2 HA SER 1 HA SER 1 13.492 7.847 3.380 3 1HB SER 1 1HB SER 1 11.674 6.325 4.112 4 2HB SER 1 2HB SER 1 11.052 7.812 3.402 5 HG SER 1 HG SER 1 10.009 5.819 2.693 6 H TRP 2 H TRP 2 13.763 5.562 4.420 7 HA TRP 2 HA TRP 2 15.583 4.113 2.696 8 1HB TRP 2 1HB TRP 2 16.173 4.579 5.056 9 2HB TRP 2 2HB TRP 2 14.807 3.599 5.582 10 HD1 TRP 2 HD1 TRP 2 17.914 2.981 3.296 11 HE1 TRP 2 1HE TRP 2 18.865 0.663 3.904 12 HE3 TRP 2 3HE TRP 2 14.537 1.646 6.891 13 HZ2 TRP 2 2HZ TRP 2 18.250 -1.448 5.674 14 HZ3 TRP 2 3HZ TRP 2 14.784 -0.543 7.992 15 HH2 TRP 2 HH2 TRP 2 16.605 -2.056 7.394 16 H MET 3 H MET 3 12.563 3.448 4.430 17 HA MET 3 HA MET 3 12.379 0.812 3.257 18 1HB MET 3 1HB MET 3 10.211 0.718 4.538 19 2HB MET 3 2HB MET 3 11.651 0.928 5.513 20 1HG MET 3 1HG MET 3 11.139 3.177 5.966 21 2HG MET 3 2HG MET 3 9.932 3.246 4.680 22 1HE MET 3 1HE MET 3 8.790 4.527 6.331 23 2HE MET 3 2HE MET 3 7.414 3.792 7.154 24 3HE MET 3 3HE MET 3 8.908 4.099 8.038 25 H SER 4 H SER 4 12.265 1.438 1.037 26 HA SER 4 HA SER 4 9.914 2.926 0.176 27 1HB SER 4 1HB SER 4 12.155 1.688 -1.456 28 2HB SER 4 2HB SER 4 10.911 2.779 -2.066 29 HG SER 4 HG SER 4 13.182 3.539 -1.237 30 H THR 5 H THR 5 8.766 1.957 -1.836 31 HA THR 5 HA THR 5 7.715 -0.580 -0.996 32 HB THR 5 HB THR 5 6.167 -0.188 -2.965 33 HG1 THR 5 1HG THR 5 7.724 1.285 -3.976 34 1HG2 THR 5 1HG2 THR 5 6.081 2.237 -1.268 35 2HG2 THR 5 2HG2 THR 5 4.774 1.178 -1.806 36 3HG2 THR 5 3HG2 THR 5 5.857 0.656 -0.516 37 H VAL 6 H VAL 6 6.959 -1.996 -2.859 38 HA VAL 6 HA VAL 6 9.043 -2.573 -4.865 39 HB VAL 6 HB VAL 6 7.734 -4.958 -3.799 40 1HG1 VAL 6 1HG1 VAL 6 10.549 -4.142 -4.410 41 2HG1 VAL 6 2HG1 VAL 6 10.161 -5.704 -3.690 42 3HG1 VAL 6 3HG1 VAL 6 9.511 -5.277 -5.274 43 1HG2 VAL 6 1HG2 VAL 6 8.192 -3.367 -1.746 44 2HG2 VAL 6 2HG2 VAL 6 8.495 -5.103 -1.659 45 3HG2 VAL 6 3HG2 VAL 6 9.832 -3.989 -1.943 46 H GLY 7 H GLY 7 7.746 -4.811 -5.839 47 1HA GLY 7 1HA GLY 7 6.100 -5.337 -7.384 48 2HA GLY 7 2HA GLY 7 5.055 -4.923 -6.061 49 H GLY 8 H GLY 8 4.109 -2.975 -5.950 50 1HA GLY 8 1HA GLY 8 2.718 -1.951 -7.952 51 2HA GLY 8 2HA GLY 8 3.196 -0.968 -6.595 52 H ASN 9 H ASN 9 2.580 0.061 -9.036 53 HA ASN 9 HA ASN 9 4.897 0.529 -10.634 54 1HB ASN 9 1HB ASN 9 3.483 2.160 -11.841 55 2HB ASN 9 2HB ASN 9 2.760 0.572 -11.705 56 1HD2 ASN 9 1HD2 ASN 9 0.908 2.607 -8.895 57 2HD2 ASN 9 2HD2 ASN 9 2.471 1.886 -8.765 58 H SER 10 H SER 10 4.075 1.881 -7.658 59 HA SER 10 HA SER 10 4.892 4.556 -8.152 60 1HB SER 10 1HB SER 10 4.930 3.074 -5.519 61 2HB SER 10 2HB SER 10 4.836 4.815 -5.772 62 HG SER 10 HG SER 10 2.774 4.064 -5.379 63 H GLY 11 H GLY 11 6.605 1.612 -7.762 64 1HA GLY 11 1HA GLY 11 8.866 1.204 -7.972 65 2HA GLY 11 2HA GLY 11 9.111 2.932 -8.184 66 H GLY 12 H GLY 12 9.975 4.077 -6.545 67 1HA GLY 12 1HA GLY 12 10.343 2.622 -4.005 68 2HA GLY 12 2HA GLY 12 11.471 3.809 -4.647 69 H ALA 13 H ALA 13 7.928 3.930 -4.241 70 HA ALA 13 HA ALA 13 8.274 6.508 -2.911 71 1HB ALA 13 1HB ALA 13 6.563 5.925 -4.819 72 2HB ALA 13 2HB ALA 13 5.593 5.339 -3.468 73 3HB ALA 13 3HB ALA 13 6.119 7.021 -3.509 74 HA PRO 14 HA PRO 14 7.468 4.761 1.068 75 1HB PRO 14 1HB PRO 14 6.429 7.258 2.061 76 2HB PRO 14 2HB PRO 14 8.025 6.562 2.323 77 1HG PRO 14 1HG PRO 14 7.537 8.839 0.841 78 2HG PRO 14 2HG PRO 14 8.976 7.817 0.675 79 1HD PRO 14 1HD PRO 14 6.530 7.945 -1.040 80 2HD PRO 14 2HD PRO 14 8.220 7.644 -1.497 81 H CYS 15 H CYS 15 5.763 3.866 2.206 82 HA CYS 15 HA CYS 15 3.149 4.029 1.036 83 1HB CYS 15 1HB CYS 15 3.717 2.889 3.773 84 2HB CYS 15 2HB CYS 15 2.476 2.406 2.629 85 H VAL 16 H VAL 16 1.743 5.665 1.417 86 HA VAL 16 HA VAL 16 2.134 7.425 3.680 87 HB VAL 16 HB VAL 16 0.018 7.492 1.519 88 1HG1 VAL 16 1HG1 VAL 16 0.764 9.536 3.607 89 2HG1 VAL 16 2HG1 VAL 16 -0.322 9.831 2.251 90 3HG1 VAL 16 3HG1 VAL 16 -0.761 8.656 3.490 91 1HG2 VAL 16 1HG2 VAL 16 2.770 8.133 1.440 92 2HG2 VAL 16 2HG2 VAL 16 1.550 8.410 0.197 93 3HG2 VAL 16 3HG2 VAL 16 1.877 9.652 1.407 94 H PHE 17 H PHE 17 1.410 6.747 5.622 95 HA PHE 17 HA PHE 17 -1.145 5.318 5.722 96 1HB PHE 17 1HB PHE 17 1.156 5.422 7.674 97 2HB PHE 17 2HB PHE 17 -0.392 4.692 8.045 98 HD1 PHE 17 1HD PHE 17 -1.180 2.994 6.039 99 HD2 PHE 17 2HD PHE 17 2.800 3.988 7.144 100 HE1 PHE 17 1HE PHE 17 -0.386 0.880 5.077 101 HE2 PHE 17 2HE PHE 17 3.615 1.878 6.182 102 HZ PHE 17 HZ PHE 17 2.027 0.294 5.136 103 HA PRO 18 HA PRO 18 -2.663 4.851 6.902 104 1HB PRO 18 1HB PRO 18 -5.301 5.880 7.188 105 2HB PRO 18 2HB PRO 18 -4.399 4.909 8.353 106 1HG PRO 18 1HG PRO 18 -5.151 7.565 8.702 107 2HG PRO 18 2HG PRO 18 -3.891 6.730 9.623 108 1HD PRO 18 1HD PRO 18 -3.622 8.598 7.301 109 2HD PRO 18 2HD PRO 18 -2.577 8.407 8.728 110 H PHE 19 H PHE 19 -3.168 4.085 4.901 111 HA PHE 19 HA PHE 19 -4.123 6.066 2.944 112 1HB PHE 19 1HB PHE 19 -3.210 4.688 1.195 113 2HB PHE 19 2HB PHE 19 -1.970 4.912 2.416 114 HD1 PHE 19 1HD PHE 19 -4.454 2.492 1.108 115 HD2 PHE 19 2HD PHE 19 -0.942 3.072 3.434 116 HE1 PHE 19 1HE PHE 19 -4.095 0.062 1.171 117 HE2 PHE 19 2HE PHE 19 -0.588 0.639 3.512 118 HZ PHE 19 HZ PHE 19 -2.169 -0.868 2.372 119 H THR 20 H THR 20 -6.032 5.765 1.900 120 HA THR 20 HA THR 20 -7.632 3.547 2.945 121 HB THR 20 HB THR 20 -8.456 6.099 1.516 122 HG1 THR 20 1HG THR 20 -8.911 6.885 3.480 123 1HG2 THR 20 1HG2 THR 20 -10.721 5.503 2.546 124 2HG2 THR 20 2HG2 THR 20 -10.226 4.677 1.067 125 3HG2 THR 20 3HG2 THR 20 -10.089 3.858 2.623 126 H PHE 21 H PHE 21 -8.005 1.842 1.760 127 HA PHE 21 HA PHE 21 -7.742 2.066 -1.171 128 1HB PHE 21 1HB PHE 21 -6.125 0.459 -0.095 129 2HB PHE 21 2HB PHE 21 -7.496 -0.428 0.524 130 HD1 PHE 21 1HD PHE 21 -5.799 0.567 -2.596 131 HD2 PHE 21 2HD PHE 21 -8.675 -2.014 -0.828 132 HE1 PHE 21 1HE PHE 21 -5.795 -0.801 -4.622 133 HE2 PHE 21 2HE PHE 21 -8.679 -3.377 -2.860 134 HZ PHE 21 HZ PHE 21 -7.249 -2.790 -4.765 135 H LEU 22 H LEU 22 -9.424 1.591 -2.337 136 HA LEU 22 HA LEU 22 -11.621 1.452 -2.807 137 1HB LEU 22 1HB LEU 22 -10.390 -1.073 -1.945 138 2HB LEU 22 2HB LEU 22 -12.040 -1.096 -2.528 139 HG LEU 22 HG LEU 22 -10.326 -1.606 -4.259 140 1HD1 LEU 22 1HD1 LEU 22 -12.541 0.089 -4.305 141 2HD1 LEU 22 2HD1 LEU 22 -11.332 0.730 -5.420 142 3HD1 LEU 22 3HD1 LEU 22 -11.907 -0.929 -5.596 143 1HD2 LEU 22 1HD2 LEU 22 -8.645 0.041 -3.488 144 2HD2 LEU 22 2HD2 LEU 22 -9.010 0.109 -5.211 145 3HD2 LEU 22 3HD2 LEU 22 -9.700 1.311 -4.117 146 H GLY 23 H GLY 23 -11.576 2.674 -0.409 147 1HA GLY 23 1HA GLY 23 -13.510 3.272 0.843 148 2HA GLY 23 2HA GLY 23 -14.032 1.606 0.787 149 H ASN 24 H ASN 24 -11.071 0.911 1.822 150 HA ASN 24 HA ASN 24 -11.835 1.455 4.619 151 1HB ASN 24 1HB ASN 24 -9.974 -0.670 3.555 152 2HB ASN 24 2HB ASN 24 -10.568 -0.523 5.199 153 1HD2 ASN 24 1HD2 ASN 24 -12.570 -2.645 2.544 154 2HD2 ASN 24 2HD2 ASN 24 -10.946 -2.086 2.364 155 H LYS 25 H LYS 25 -10.298 2.208 6.113 156 HA LYS 25 HA LYS 25 -8.041 3.612 4.986 157 1HB LYS 25 1HB LYS 25 -9.041 3.450 7.829 158 2HB LYS 25 2HB LYS 25 -8.010 4.669 7.129 159 1HG LYS 25 1HG LYS 25 -9.715 5.699 5.975 160 2HG LYS 25 2HG LYS 25 -10.722 4.248 6.001 161 1HD LYS 25 1HD LYS 25 -10.052 5.965 8.382 162 2HD LYS 25 2HD LYS 25 -11.572 5.993 7.483 163 1HE LYS 25 1HE LYS 25 -11.978 3.664 8.082 164 2HE LYS 25 2HE LYS 25 -10.453 3.619 8.971 165 1HZ LYS 25 1HZ LYS 25 -11.334 5.398 10.413 166 2HZ LYS 25 2HZ LYS 25 -12.830 5.293 9.610 167 3HZ LYS 25 3HZ LYS 25 -12.246 3.971 10.498 168 H TYR 26 H TYR 26 -6.003 2.769 5.054 169 HA TYR 26 HA TYR 26 -5.562 0.470 6.823 170 1HB TYR 26 1HB TYR 26 -4.163 1.162 4.236 171 2HB TYR 26 2HB TYR 26 -3.854 -0.251 5.231 172 HD1 TYR 26 1HD TYR 26 -6.503 1.422 3.236 173 HD2 TYR 26 2HD TYR 26 -5.076 -2.205 4.908 174 HE1 TYR 26 1HE TYR 26 -8.218 0.192 2.011 175 HE2 TYR 26 2HE TYR 26 -6.793 -3.452 3.678 176 HH TYR 26 HH TYR 26 -8.610 -3.320 2.401 177 H GLU 27 H GLU 27 -4.393 0.856 8.461 178 HA GLU 27 HA GLU 27 -2.556 3.105 8.574 179 1HB GLU 27 1HB GLU 27 -3.246 1.109 10.714 180 2HB GLU 27 2HB GLU 27 -2.533 2.683 10.924 181 1HG GLU 27 1HG GLU 27 -4.556 3.787 10.336 182 2HG GLU 27 2HG GLU 27 -5.297 2.261 9.852 183 H SER 28 H SER 28 -2.608 -0.275 8.194 184 HA SER 28 HA SER 28 0.318 -0.387 8.339 185 1HB SER 28 1HB SER 28 -0.182 -2.898 8.829 186 2HB SER 28 2HB SER 28 -0.365 -1.743 10.147 187 HG SER 28 HG SER 28 -2.488 -1.997 10.100 188 H CYS 29 H CYS 29 0.861 -2.673 7.049 189 HA CYS 29 HA CYS 29 0.279 -2.065 4.361 190 1HB CYS 29 1HB CYS 29 1.371 -4.606 5.571 191 2HB CYS 29 2HB CYS 29 1.294 -4.276 3.855 192 H THR 30 H THR 30 -0.602 -3.766 2.856 193 HA THR 30 HA THR 30 -2.801 -5.310 3.973 194 HB THR 30 HB THR 30 -3.794 -3.046 3.488 195 HG1 THR 30 1HG THR 30 -5.217 -4.696 3.234 196 1HG2 THR 30 1HG2 THR 30 -3.446 -3.543 0.569 197 2HG2 THR 30 2HG2 THR 30 -3.787 -2.044 1.430 198 3HG2 THR 30 3HG2 THR 30 -2.164 -2.733 1.467 199 H SER 31 H SER 31 -3.960 -6.357 2.021 200 HA SER 31 HA SER 31 -2.148 -6.941 -0.178 201 1HB SER 31 1HB SER 31 -2.665 -9.402 0.091 202 2HB SER 31 2HB SER 31 -1.635 -8.724 1.366 203 HG SER 31 HG SER 31 -3.692 -10.109 1.836 204 H ALA 32 H ALA 32 -4.487 -5.392 0.444 205 HA ALA 32 HA ALA 32 -6.883 -6.489 -0.490 206 1HB ALA 32 1HB ALA 32 -5.980 -4.031 0.558 207 2HB ALA 32 2HB ALA 32 -6.726 -3.653 -0.997 208 3HB ALA 32 3HB ALA 32 -7.647 -4.512 0.239 209 H GLY 33 H GLY 33 -7.869 -6.577 -2.417 210 1HA GLY 33 1HA GLY 33 -8.199 -6.354 -4.685 211 2HA GLY 33 2HA GLY 33 -6.879 -5.196 -4.723 212 H ARG 34 H ARG 34 -5.516 -7.718 -3.217 213 HA ARG 34 HA ARG 34 -4.386 -8.667 -5.732 214 1HB ARG 34 1HB ARG 34 -3.418 -9.255 -2.939 215 2HB ARG 34 2HB ARG 34 -2.559 -9.502 -4.439 216 1HG ARG 34 1HG ARG 34 -2.975 -6.877 -4.644 217 2HG ARG 34 2HG ARG 34 -2.985 -7.027 -2.889 218 1HD ARG 34 1HD ARG 34 -0.737 -6.544 -3.863 219 2HD ARG 34 2HD ARG 34 -0.803 -8.019 -2.887 220 HE ARG 34 HE ARG 34 -0.259 -9.209 -4.759 221 1HH1 ARG 34 1HH1 ARG 34 -1.496 -6.090 -5.798 222 2HH1 ARG 34 2HH1 ARG 34 -1.179 -6.393 -7.482 223 1HH2 ARG 34 1HH2 ARG 34 0.189 -9.587 -6.944 224 2HH2 ARG 34 2HH2 ARG 34 -0.152 -8.350 -8.122 225 H SER 35 H SER 35 -4.135 -10.842 -6.229 226 HA SER 35 HA SER 35 -5.936 -12.661 -4.779 227 1HB SER 35 1HB SER 35 -6.077 -13.789 -7.127 228 2HB SER 35 2HB SER 35 -7.036 -12.340 -6.809 229 HG SER 35 HG SER 35 -5.793 -11.199 -8.119 230 H ASP 36 H ASP 36 -2.801 -12.009 -5.255 231 HA ASP 36 HA ASP 36 -1.961 -14.768 -5.635 232 1HB ASP 36 1HB ASP 36 0.362 -13.697 -5.606 233 2HB ASP 36 2HB ASP 36 -0.656 -13.393 -6.991 234 H GLY 37 H GLY 37 -0.587 -12.265 -3.637 235 1HA GLY 37 1HA GLY 37 -1.296 -13.080 -1.139 236 2HA GLY 37 2HA GLY 37 0.039 -14.137 -1.558 237 H LYS 38 H LYS 38 0.865 -11.476 -3.197 238 HA LYS 38 HA LYS 38 2.853 -10.704 -1.325 239 1HB LYS 38 1HB LYS 38 2.055 -8.796 -3.451 240 2HB LYS 38 2HB LYS 38 3.659 -9.318 -2.962 241 1HG LYS 38 1HG LYS 38 1.737 -10.993 -4.542 242 2HG LYS 38 2HG LYS 38 2.996 -10.010 -5.237 243 1HD LYS 38 1HD LYS 38 4.697 -11.295 -4.058 244 2HD LYS 38 2HD LYS 38 3.431 -12.282 -3.313 245 1HE LYS 38 1HE LYS 38 2.751 -13.121 -5.475 246 2HE LYS 38 2HE LYS 38 3.870 -12.029 -6.291 247 1HZ LYS 38 1HZ LYS 38 5.668 -13.257 -4.995 248 2HZ LYS 38 2HZ LYS 38 4.484 -14.440 -4.685 249 3HZ LYS 38 3HZ LYS 38 4.939 -14.078 -6.287 250 H MET 39 H MET 39 2.944 -8.946 0.059 251 HA MET 39 HA MET 39 0.404 -7.560 0.455 252 1HB MET 39 1HB MET 39 2.850 -7.679 2.232 253 2HB MET 39 2HB MET 39 1.339 -6.875 2.611 254 1HG MET 39 1HG MET 39 0.178 -9.033 2.550 255 2HG MET 39 2HG MET 39 1.713 -9.831 2.206 256 1HE MET 39 1HE MET 39 3.722 -9.959 3.889 257 2HE MET 39 2HE MET 39 3.748 -8.204 4.059 258 3HE MET 39 3HE MET 39 3.727 -9.232 5.494 259 H TRP 40 H TRP 40 0.281 -5.329 0.404 260 HA TRP 40 HA TRP 40 2.680 -3.886 -0.471 261 1HB TRP 40 1HB TRP 40 1.372 -2.772 -2.241 262 2HB TRP 40 2HB TRP 40 1.460 -4.512 -2.505 263 HD1 TRP 40 HD1 TRP 40 -0.874 -5.882 -1.556 264 HE1 TRP 40 1HE TRP 40 -3.321 -5.118 -1.775 265 HE3 TRP 40 3HE TRP 40 -0.097 -0.918 -2.441 266 HZ2 TRP 40 2HZ TRP 40 -4.722 -2.723 -2.217 267 HZ3 TRP 40 3HZ TRP 40 -2.042 0.544 -2.717 268 HH2 TRP 40 HH2 TRP 40 -4.303 -0.342 -2.617 269 H CYS 41 H CYS 41 1.564 -1.472 -0.987 270 HA CYS 41 HA CYS 41 -0.153 -0.557 1.143 271 1HB CYS 41 1HB CYS 41 1.544 1.037 2.051 272 2HB CYS 41 2HB CYS 41 1.961 -0.646 2.373 273 H ALA 42 H ALA 42 -0.912 1.598 0.699 274 HA ALA 42 HA ALA 42 -0.519 2.365 -2.066 275 1HB ALA 42 1HB ALA 42 -2.681 2.581 -0.436 276 2HB ALA 42 2HB ALA 42 -2.014 4.211 -0.337 277 3HB ALA 42 3HB ALA 42 -2.440 3.531 -1.906 278 H THR 43 H THR 43 0.470 4.251 -2.757 279 HA THR 43 HA THR 43 2.277 5.404 -0.764 280 HB THR 43 HB THR 43 3.664 6.033 -2.697 281 HG1 THR 43 1HG THR 43 2.602 6.241 -4.513 282 1HG2 THR 43 1HG2 THR 43 3.889 3.606 -3.652 283 2HG2 THR 43 2HG2 THR 43 4.300 3.933 -1.968 284 3HG2 THR 43 3HG2 THR 43 2.745 3.210 -2.371 285 H THR 44 H THR 44 -0.589 6.051 -1.430 286 HA THR 44 HA THR 44 -0.257 8.956 -1.447 287 HB THR 44 HB THR 44 -2.351 9.140 -2.823 288 HG1 THR 44 1HG THR 44 -3.408 7.399 -3.258 289 1HG2 THR 44 1HG2 THR 44 -0.886 7.684 -4.786 290 2HG2 THR 44 2HG2 THR 44 -1.073 9.426 -4.598 291 3HG2 THR 44 3HG2 THR 44 0.239 8.585 -3.771 292 H ALA 45 H ALA 45 -1.959 10.059 -0.266 293 HA ALA 45 HA ALA 45 -2.788 8.740 2.067 294 1HB ALA 45 1HB ALA 45 -2.516 11.203 1.801 295 2HB ALA 45 2HB ALA 45 -4.039 11.225 0.911 296 3HB ALA 45 3HB ALA 45 -4.013 10.722 2.601 297 H ASN 46 H ASN 46 -4.482 9.378 -0.957 298 HA ASN 46 HA ASN 46 -6.597 7.542 -0.054 299 1HB ASN 46 1HB ASN 46 -7.456 9.871 -0.240 300 2HB ASN 46 2HB ASN 46 -6.966 9.894 -1.935 301 1HD2 ASN 46 1HD2 ASN 46 -10.474 8.349 -0.838 302 2HD2 ASN 46 2HD2 ASN 46 -9.414 9.165 0.250 303 H TYR 47 H TYR 47 -6.243 5.698 -1.066 304 HA TYR 47 HA TYR 47 -4.807 5.561 -3.534 305 1HB TYR 47 1HB TYR 47 -4.725 3.796 -1.745 306 2HB TYR 47 2HB TYR 47 -6.366 3.345 -2.201 307 HD1 TYR 47 1HD TYR 47 -6.809 2.217 -4.309 308 HD2 TYR 47 2HD TYR 47 -2.851 3.269 -3.186 309 HE1 TYR 47 1HE TYR 47 -5.918 0.721 -6.045 310 HE2 TYR 47 2HE TYR 47 -1.957 1.780 -4.914 311 HH TYR 47 HH TYR 47 -3.163 -0.505 -6.169 312 H ASP 48 H ASP 48 -8.202 5.352 -2.614 313 HA ASP 48 HA ASP 48 -9.344 4.233 -4.828 314 1HB ASP 48 1HB ASP 48 -10.326 6.491 -3.102 315 2HB ASP 48 2HB ASP 48 -11.316 5.784 -4.370 316 H ASP 49 H ASP 49 -8.209 7.547 -4.506 317 HA ASP 49 HA ASP 49 -9.212 8.273 -7.113 318 1HB ASP 49 1HB ASP 49 -7.798 9.743 -4.929 319 2HB ASP 49 2HB ASP 49 -7.886 10.437 -6.543 320 H ASP 50 H ASP 50 -5.923 8.482 -5.706 321 HA ASP 50 HA ASP 50 -4.752 8.743 -8.305 322 1HB ASP 50 1HB ASP 50 -3.705 8.664 -5.514 323 2HB ASP 50 2HB ASP 50 -2.583 8.461 -6.860 324 H ARG 51 H ARG 51 -5.335 6.020 -6.250 325 HA ARG 51 HA ARG 51 -4.679 3.862 -6.299 326 1HB ARG 51 1HB ARG 51 -5.016 4.306 -9.244 327 2HB ARG 51 2HB ARG 51 -5.212 2.785 -8.377 328 1HG ARG 51 1HG ARG 51 -6.861 4.326 -6.956 329 2HG ARG 51 2HG ARG 51 -6.996 5.127 -8.520 330 1HD ARG 51 1HD ARG 51 -7.243 2.171 -8.301 331 2HD ARG 51 2HD ARG 51 -8.602 3.209 -7.874 332 HE ARG 51 HE ARG 51 -7.565 3.923 -10.415 333 1HH1 ARG 51 1HH1 ARG 51 -9.501 1.532 -8.775 334 2HH1 ARG 51 2HH1 ARG 51 -10.431 1.126 -10.179 335 1HH2 ARG 51 1HH2 ARG 51 -8.757 3.377 -12.279 336 2HH2 ARG 51 2HH2 ARG 51 -9.993 2.168 -12.182 337 H LYS 52 H LYS 52 -2.436 5.158 -5.855 338 HA LYS 52 HA LYS 52 -0.481 3.915 -7.648 339 1HB LYS 52 1HB LYS 52 -0.249 6.336 -5.853 340 2HB LYS 52 2HB LYS 52 1.155 5.552 -6.569 341 1HG LYS 52 1HG LYS 52 0.681 6.284 -8.665 342 2HG LYS 52 2HG LYS 52 -1.061 6.319 -8.389 343 1HD LYS 52 1HD LYS 52 -0.749 8.326 -6.966 344 2HD LYS 52 2HD LYS 52 0.973 8.303 -7.360 345 1HE LYS 52 1HE LYS 52 0.517 8.700 -9.676 346 2HE LYS 52 2HE LYS 52 -1.214 8.475 -9.439 347 1HZ LYS 52 1HZ LYS 52 -1.154 10.468 -7.969 348 2HZ LYS 52 2HZ LYS 52 0.458 10.726 -8.445 349 3HZ LYS 52 3HZ LYS 52 -0.791 10.789 -9.598 350 H TRP 53 H TRP 53 0.402 2.146 -6.886 351 HA TRP 53 HA TRP 53 0.537 1.802 -3.966 352 1HB TRP 53 1HB TRP 53 -0.243 -0.457 -4.247 353 2HB TRP 53 2HB TRP 53 -1.364 0.632 -4.964 354 HD1 TRP 53 HD1 TRP 53 -1.031 0.848 -7.841 355 HE1 TRP 53 1HE TRP 53 -0.525 -1.113 -9.456 356 HE3 TRP 53 3HE TRP 53 0.687 -2.416 -4.438 357 HZ2 TRP 53 2HZ TRP 53 0.491 -3.772 -9.241 358 HZ3 TRP 53 3HZ TRP 53 1.412 -4.676 -5.169 359 HH2 TRP 53 HH2 TRP 53 1.314 -5.330 -7.525 360 H GLY 54 H GLY 54 1.768 -0.163 -3.363 361 1HA GLY 54 1HA GLY 54 3.841 -1.170 -5.021 362 2HA GLY 54 2HA GLY 54 4.460 0.071 -3.937 363 H PHE 55 H PHE 55 4.918 -2.899 -4.024 364 HA PHE 55 HA PHE 55 3.613 -4.176 -1.899 365 1HB PHE 55 1HB PHE 55 6.291 -4.594 -3.201 366 2HB PHE 55 2HB PHE 55 5.706 -5.629 -1.917 367 HD1 PHE 55 1HD PHE 55 2.824 -4.811 -3.537 368 HD2 PHE 55 2HD PHE 55 6.397 -7.033 -4.186 369 HE1 PHE 55 1HE PHE 55 1.650 -6.223 -5.184 370 HE2 PHE 55 2HE PHE 55 5.229 -8.438 -5.833 371 HZ PHE 55 HZ PHE 55 2.849 -8.027 -6.337 372 H CYS 56 H CYS 56 4.513 -4.805 0.165 373 HA CYS 56 HA CYS 56 5.841 -2.559 1.448 374 1HB CYS 56 1HB CYS 56 4.326 -4.959 2.452 375 2HB CYS 56 2HB CYS 56 5.398 -4.067 3.542 376 HA PRO 57 HA PRO 57 9.813 -4.381 1.584 377 1HB PRO 57 1HB PRO 57 10.883 -3.339 3.787 378 2HB PRO 57 2HB PRO 57 10.496 -2.341 2.376 379 1HG PRO 57 1HG PRO 57 8.837 -2.880 4.792 380 2HG PRO 57 2HG PRO 57 9.300 -1.294 4.139 381 1HD PRO 57 1HD PRO 57 6.912 -2.344 3.598 382 2HD PRO 57 2HD PRO 57 7.840 -1.533 2.310 383 H ASP 58 H ASP 58 7.539 -5.399 3.450 384 HA ASP 58 HA ASP 58 9.129 -7.177 5.146 385 1HB ASP 58 1HB ASP 58 7.195 -5.887 6.116 386 2HB ASP 58 2HB ASP 58 6.128 -6.840 5.092 387 H GLN 59 H GLN 59 9.814 -8.889 3.959 388 HA GLN 59 HA GLN 59 7.790 -10.296 2.332 389 1HB GLN 59 1HB GLN 59 10.794 -10.235 1.974 390 2HB GLN 59 2HB GLN 59 9.675 -11.173 0.998 391 1HG GLN 59 1HG GLN 59 9.655 -8.174 1.213 392 2HG GLN 59 2HG GLN 59 10.434 -9.080 -0.080 393 1HE2 GLN 59 1HE2 GLN 59 6.618 -8.118 -0.367 394 2HE2 GLN 59 2HE2 GLN 59 7.746 -7.423 0.740 395 H GLY 60 H GLY 60 8.003 -10.756 5.104 396 1HA GLY 60 1HA GLY 60 8.651 -13.596 5.032 397 2HA GLY 60 2HA GLY 60 9.564 -12.629 6.181 Start of MODEL 27 1 H SER 1 1H SER 1 10.167 2.114 12.122 2 HA SER 1 HA SER 1 11.551 1.899 10.501 3 1HB SER 1 1HB SER 1 9.522 -0.052 9.382 4 2HB SER 1 2HB SER 1 11.214 0.052 8.901 5 HG SER 1 HG SER 1 10.618 -1.585 10.557 6 H TRP 2 H TRP 2 12.130 2.849 8.576 7 HA TRP 2 HA TRP 2 9.966 3.965 6.911 8 1HB TRP 2 1HB TRP 2 11.076 5.603 8.571 9 2HB TRP 2 2HB TRP 2 12.495 5.492 7.535 10 HD1 TRP 2 HD1 TRP 2 11.615 5.953 4.713 11 HE1 TRP 2 1HE TRP 2 10.293 8.024 3.939 12 HE3 TRP 2 3HE TRP 2 9.655 7.403 9.220 13 HZ2 TRP 2 2HZ TRP 2 8.626 10.000 5.090 14 HZ3 TRP 2 3HZ TRP 2 8.208 9.394 9.294 15 HH2 TRP 2 HH2 TRP 2 7.708 10.663 7.268 16 H MET 3 H MET 3 10.403 2.213 5.463 17 HA MET 3 HA MET 3 12.964 2.430 4.061 18 1HB MET 3 1HB MET 3 12.569 0.124 3.335 19 2HB MET 3 2HB MET 3 12.618 0.252 5.083 20 1HG MET 3 1HG MET 3 10.081 0.147 3.461 21 2HG MET 3 2HG MET 3 10.859 -1.267 4.165 22 1HE MET 3 1HE MET 3 8.024 -0.755 4.492 23 2HE MET 3 2HE MET 3 8.494 -1.901 5.748 24 3HE MET 3 3HE MET 3 7.523 -0.486 6.162 25 H SER 4 H SER 4 12.789 1.717 1.704 26 HA SER 4 HA SER 4 10.715 3.319 0.460 27 1HB SER 4 1HB SER 4 12.972 1.768 -0.849 28 2HB SER 4 2HB SER 4 11.978 3.017 -1.603 29 HG SER 4 HG SER 4 13.622 4.222 -0.974 30 H THR 5 H THR 5 9.983 2.152 -1.825 31 HA THR 5 HA THR 5 8.684 -0.291 -0.892 32 HB THR 5 HB THR 5 7.278 0.207 -3.054 33 HG1 THR 5 1HG THR 5 7.624 2.862 -2.493 34 1HG2 THR 5 1HG2 THR 5 6.340 2.207 -1.324 35 2HG2 THR 5 2HG2 THR 5 5.761 0.549 -1.502 36 3HG2 THR 5 3HG2 THR 5 7.016 0.923 -0.321 37 H VAL 6 H VAL 6 8.030 -1.794 -2.603 38 HA VAL 6 HA VAL 6 9.993 -2.325 -4.684 39 HB VAL 6 HB VAL 6 10.868 -3.870 -3.244 40 1HG1 VAL 6 1HG1 VAL 6 8.313 -3.566 -1.747 41 2HG1 VAL 6 2HG1 VAL 6 9.321 -4.975 -1.427 42 3HG1 VAL 6 3HG1 VAL 6 9.974 -3.355 -1.190 43 1HG2 VAL 6 1HG2 VAL 6 8.352 -5.298 -4.029 44 2HG2 VAL 6 2HG2 VAL 6 9.919 -5.360 -4.837 45 3HG2 VAL 6 3HG2 VAL 6 9.721 -6.078 -3.236 46 H GLY 7 H GLY 7 8.861 -3.995 -6.240 47 1HA GLY 7 1HA GLY 7 6.898 -4.655 -7.353 48 2HA GLY 7 2HA GLY 7 6.076 -4.440 -5.835 49 H GLY 8 H GLY 8 4.275 -3.525 -6.796 50 1HA GLY 8 1HA GLY 8 2.945 -1.836 -7.591 51 2HA GLY 8 2HA GLY 8 4.061 -0.798 -6.735 52 H ASN 9 H ASN 9 3.937 0.859 -8.134 53 HA ASN 9 HA ASN 9 5.351 0.499 -10.679 54 1HB ASN 9 1HB ASN 9 3.706 2.450 -11.455 55 2HB ASN 9 2HB ASN 9 3.307 0.766 -11.678 56 1HD2 ASN 9 1HD2 ASN 9 1.007 3.112 -9.472 57 2HD2 ASN 9 2HD2 ASN 9 2.361 3.661 -10.396 58 H SER 10 H SER 10 4.462 2.490 -7.968 59 HA SER 10 HA SER 10 5.566 4.932 -8.631 60 1HB SER 10 1HB SER 10 5.626 3.595 -5.911 61 2HB SER 10 2HB SER 10 5.727 5.324 -6.224 62 HG SER 10 HG SER 10 3.601 4.730 -5.665 63 H GLY 11 H GLY 11 7.162 2.009 -7.455 64 1HA GLY 11 1HA GLY 11 9.410 1.563 -8.242 65 2HA GLY 11 2HA GLY 11 9.735 3.286 -8.119 66 H GLY 12 H GLY 12 10.035 4.217 -6.040 67 1HA GLY 12 1HA GLY 12 10.389 2.294 -3.847 68 2HA GLY 12 2HA GLY 12 11.750 3.298 -4.327 69 H ALA 13 H ALA 13 8.427 4.414 -4.341 70 HA ALA 13 HA ALA 13 9.134 6.598 -2.599 71 1HB ALA 13 1HB ALA 13 7.642 6.923 -4.527 72 2HB ALA 13 2HB ALA 13 6.450 5.871 -3.766 73 3HB ALA 13 3HB ALA 13 6.879 7.406 -3.012 74 HA PRO 14 HA PRO 14 7.993 4.759 1.252 75 1HB PRO 14 1HB PRO 14 7.050 7.439 2.065 76 2HB PRO 14 2HB PRO 14 8.325 6.442 2.764 77 1HG PRO 14 1HG PRO 14 8.871 8.654 1.334 78 2HG PRO 14 2HG PRO 14 9.936 7.233 1.328 79 1HD PRO 14 1HD PRO 14 7.991 8.158 -0.753 80 2HD PRO 14 2HD PRO 14 9.565 7.364 -0.946 81 H CYS 15 H CYS 15 6.178 3.813 2.036 82 HA CYS 15 HA CYS 15 3.664 4.318 0.742 83 1HB CYS 15 1HB CYS 15 4.509 2.450 2.962 84 2HB CYS 15 2HB CYS 15 2.839 2.566 2.414 85 H VAL 16 H VAL 16 2.078 5.649 1.403 86 HA VAL 16 HA VAL 16 2.418 7.145 3.866 87 HB VAL 16 HB VAL 16 0.338 7.402 1.683 88 1HG1 VAL 16 1HG1 VAL 16 -0.280 8.280 4.001 89 2HG1 VAL 16 2HG1 VAL 16 0.985 9.484 3.748 90 3HG1 VAL 16 3HG1 VAL 16 -0.390 9.408 2.649 91 1HG2 VAL 16 1HG2 VAL 16 2.903 7.906 1.333 92 2HG2 VAL 16 2HG2 VAL 16 1.654 8.954 0.659 93 3HG2 VAL 16 3HG2 VAL 16 2.475 9.408 2.153 94 H PHE 17 H PHE 17 1.468 6.582 5.728 95 HA PHE 17 HA PHE 17 -0.947 4.922 5.632 96 1HB PHE 17 1HB PHE 17 1.274 5.007 7.671 97 2HB PHE 17 2HB PHE 17 -0.235 4.151 7.911 98 HD1 PHE 17 1HD PHE 17 -0.828 2.587 5.741 99 HD2 PHE 17 2HD PHE 17 3.032 3.725 7.101 100 HE1 PHE 17 1HE PHE 17 0.143 0.628 4.621 101 HE2 PHE 17 2HE PHE 17 4.017 1.775 5.989 102 HZ PHE 17 HZ PHE 17 2.578 0.197 4.724 103 HA PRO 18 HA PRO 18 -2.479 4.330 6.741 104 1HB PRO 18 1HB PRO 18 -5.150 5.195 7.100 105 2HB PRO 18 2HB PRO 18 -4.190 4.222 8.214 106 1HG PRO 18 1HG PRO 18 -5.087 6.824 8.691 107 2HG PRO 18 2HG PRO 18 -3.795 5.997 9.580 108 1HD PRO 18 1HD PRO 18 -3.600 7.993 7.358 109 2HD PRO 18 2HD PRO 18 -2.553 7.775 8.781 110 H PHE 19 H PHE 19 -2.833 3.743 4.683 111 HA PHE 19 HA PHE 19 -3.912 5.775 2.867 112 1HB PHE 19 1HB PHE 19 -3.158 4.425 1.013 113 2HB PHE 19 2HB PHE 19 -1.825 4.678 2.129 114 HD1 PHE 19 1HD PHE 19 -1.345 2.764 3.791 115 HD2 PHE 19 2HD PHE 19 -3.662 2.307 0.259 116 HE1 PHE 19 1HE PHE 19 -0.923 0.336 3.820 117 HE2 PHE 19 2HE PHE 19 -3.247 -0.107 0.279 118 HZ PHE 19 HZ PHE 19 -1.870 -1.099 2.063 119 H THR 20 H THR 20 -5.902 5.650 2.106 120 HA THR 20 HA THR 20 -7.500 3.419 3.065 121 HB THR 20 HB THR 20 -8.380 5.978 1.704 122 HG1 THR 20 1HG THR 20 -7.676 6.747 3.542 123 1HG2 THR 20 1HG2 THR 20 -10.490 5.501 3.039 124 2HG2 THR 20 2HG2 THR 20 -10.224 4.568 1.567 125 3HG2 THR 20 3HG2 THR 20 -9.902 3.843 3.143 126 H PHE 21 H PHE 21 -8.105 1.816 1.939 127 HA PHE 21 HA PHE 21 -8.350 2.035 -0.997 128 1HB PHE 21 1HB PHE 21 -6.319 0.689 -0.071 129 2HB PHE 21 2HB PHE 21 -7.517 -0.483 0.421 130 HD1 PHE 21 1HD PHE 21 -8.451 1.157 -2.638 131 HD2 PHE 21 2HD PHE 21 -6.110 -1.980 -0.982 132 HE1 PHE 21 1HE PHE 21 -8.351 0.056 -4.824 133 HE2 PHE 21 2HE PHE 21 -6.004 -3.078 -3.152 134 HZ PHE 21 HZ PHE 21 -7.110 -2.059 -5.105 135 H LEU 22 H LEU 22 -10.141 0.915 -1.814 136 HA LEU 22 HA LEU 22 -12.307 0.388 -1.833 137 1HB LEU 22 1HB LEU 22 -10.950 -1.635 -0.165 138 2HB LEU 22 2HB LEU 22 -12.538 -1.911 -0.864 139 HG LEU 22 HG LEU 22 -11.430 -2.731 -2.630 140 1HD1 LEU 22 1HD1 LEU 22 -11.132 0.056 -3.002 141 2HD1 LEU 22 2HD1 LEU 22 -9.849 -0.869 -3.779 142 3HD1 LEU 22 3HD1 LEU 22 -11.536 -1.211 -4.164 143 1HD2 LEU 22 1HD2 LEU 22 -9.443 -2.533 -0.834 144 2HD2 LEU 22 2HD2 LEU 22 -9.424 -3.455 -2.335 145 3HD2 LEU 22 3HD2 LEU 22 -8.783 -1.813 -2.306 146 H GLY 23 H GLY 23 -11.718 2.315 0.306 147 1HA GLY 23 1HA GLY 23 -13.254 3.358 1.739 148 2HA GLY 23 2HA GLY 23 -14.151 1.855 1.834 149 H ASN 24 H ASN 24 -11.005 0.983 2.475 150 HA ASN 24 HA ASN 24 -11.470 1.328 5.366 151 1HB ASN 24 1HB ASN 24 -9.918 -0.816 3.900 152 2HB ASN 24 2HB ASN 24 -10.154 -0.725 5.638 153 1HD2 ASN 24 1HD2 ASN 24 -12.875 -2.444 3.292 154 2HD2 ASN 24 2HD2 ASN 24 -11.313 -1.940 2.764 155 H LYS 25 H LYS 25 -9.923 2.243 6.615 156 HA LYS 25 HA LYS 25 -7.723 3.585 5.377 157 1HB LYS 25 1HB LYS 25 -8.189 3.236 8.333 158 2HB LYS 25 2HB LYS 25 -7.431 4.557 7.495 159 1HG LYS 25 1HG LYS 25 -10.353 3.929 7.345 160 2HG LYS 25 2HG LYS 25 -9.635 5.145 8.403 161 1HD LYS 25 1HD LYS 25 -8.811 6.363 6.449 162 2HD LYS 25 2HD LYS 25 -9.496 5.133 5.382 163 1HE LYS 25 1HE LYS 25 -10.970 7.031 7.201 164 2HE LYS 25 2HE LYS 25 -10.995 6.991 5.440 165 1HZ LYS 25 1HZ LYS 25 -11.781 4.471 6.237 166 2HZ LYS 25 2HZ LYS 25 -12.581 5.518 7.292 167 3HZ LYS 25 3HZ LYS 25 -12.782 5.695 5.611 168 H TYR 26 H TYR 26 -5.765 2.569 5.011 169 HA TYR 26 HA TYR 26 -5.215 0.215 6.663 170 1HB TYR 26 1HB TYR 26 -3.989 1.035 4.031 171 2HB TYR 26 2HB TYR 26 -3.613 -0.430 4.927 172 HD1 TYR 26 1HD TYR 26 -6.672 -0.742 5.759 173 HD2 TYR 26 2HD TYR 26 -4.599 -0.268 2.086 174 HE1 TYR 26 1HE TYR 26 -8.458 -1.947 4.597 175 HE2 TYR 26 2HE TYR 26 -6.375 -1.467 0.918 176 HH TYR 26 HH TYR 26 -9.132 -1.812 1.647 177 H GLU 27 H GLU 27 -4.171 0.712 8.338 178 HA GLU 27 HA GLU 27 -2.232 2.844 8.460 179 1HB GLU 27 1HB GLU 27 -3.207 0.862 10.504 180 2HB GLU 27 2HB GLU 27 -2.142 2.204 10.843 181 1HG GLU 27 1HG GLU 27 -3.839 3.794 10.295 182 2HG GLU 27 2HG GLU 27 -4.898 2.523 9.689 183 H SER 28 H SER 28 -2.247 -0.446 7.780 184 HA SER 28 HA SER 28 0.665 -0.542 7.922 185 1HB SER 28 1HB SER 28 0.352 -3.014 8.466 186 2HB SER 28 2HB SER 28 -0.002 -1.896 9.778 187 HG SER 28 HG SER 28 -1.585 -3.735 8.724 188 H CYS 29 H CYS 29 1.156 -2.830 6.586 189 HA CYS 29 HA CYS 29 0.348 -2.186 3.950 190 1HB CYS 29 1HB CYS 29 1.604 -4.728 4.988 191 2HB CYS 29 2HB CYS 29 1.447 -4.294 3.303 192 H THR 30 H THR 30 -0.703 -3.738 2.506 193 HA THR 30 HA THR 30 -2.777 -5.355 3.799 194 HB THR 30 HB THR 30 -3.715 -3.063 3.309 195 HG1 THR 30 1HG THR 30 -5.233 -4.616 3.277 196 1HG2 THR 30 1HG2 THR 30 -4.193 -3.144 0.599 197 2HG2 THR 30 2HG2 THR 30 -3.062 -2.072 1.430 198 3HG2 THR 30 3HG2 THR 30 -2.491 -3.585 0.730 199 H SER 31 H SER 31 -4.078 -6.445 1.950 200 HA SER 31 HA SER 31 -2.287 -7.212 -0.238 201 1HB SER 31 1HB SER 31 -3.267 -9.556 0.026 202 2HB SER 31 2HB SER 31 -2.124 -9.044 1.276 203 HG SER 31 HG SER 31 -4.705 -8.367 1.895 204 H ALA 32 H ALA 32 -4.662 -5.437 0.377 205 HA ALA 32 HA ALA 32 -6.967 -6.372 -0.925 206 1HB ALA 32 1HB ALA 32 -6.074 -3.940 0.301 207 2HB ALA 32 2HB ALA 32 -6.818 -3.559 -1.251 208 3HB ALA 32 3HB ALA 32 -7.727 -4.458 -0.037 209 H GLY 33 H GLY 33 -7.689 -6.248 -2.989 210 1HA GLY 33 1HA GLY 33 -7.653 -5.803 -5.263 211 2HA GLY 33 2HA GLY 33 -6.264 -4.757 -5.001 212 H ARG 34 H ARG 34 -5.195 -7.342 -3.495 213 HA ARG 34 HA ARG 34 -4.026 -8.498 -5.934 214 1HB ARG 34 1HB ARG 34 -3.024 -8.595 -3.085 215 2HB ARG 34 2HB ARG 34 -2.228 -9.297 -4.478 216 1HG ARG 34 1HG ARG 34 -2.456 -6.734 -5.292 217 2HG ARG 34 2HG ARG 34 -2.306 -6.512 -3.546 218 1HD ARG 34 1HD ARG 34 -0.120 -6.496 -4.718 219 2HD ARG 34 2HD ARG 34 -0.244 -7.785 -3.514 220 HE ARG 34 HE ARG 34 -0.096 -9.341 -5.191 221 1HH1 ARG 34 1HH1 ARG 34 -0.783 -6.211 -6.601 222 2HH1 ARG 34 2HH1 ARG 34 -0.651 -6.754 -8.241 223 1HH2 ARG 34 1HH2 ARG 34 0.015 -10.089 -7.382 224 2HH2 ARG 34 2HH2 ARG 34 -0.185 -8.951 -8.687 225 H SER 35 H SER 35 -4.524 -9.678 -2.627 226 HA SER 35 HA SER 35 -5.377 -11.602 -1.776 227 1HB SER 35 1HB SER 35 -7.415 -10.716 -3.004 228 2HB SER 35 2HB SER 35 -6.997 -11.806 -4.323 229 HG SER 35 HG SER 35 -7.379 -12.687 -1.645 230 H ASP 36 H ASP 36 -2.978 -11.665 -3.383 231 HA ASP 36 HA ASP 36 -3.104 -14.383 -4.435 232 1HB ASP 36 1HB ASP 36 -1.022 -13.777 -5.682 233 2HB ASP 36 2HB ASP 36 -2.456 -12.930 -6.189 234 H GLY 37 H GLY 37 -0.754 -12.219 -3.028 235 1HA GLY 37 1HA GLY 37 -0.201 -13.805 -0.790 236 2HA GLY 37 2HA GLY 37 0.971 -14.179 -2.038 237 H LYS 38 H LYS 38 1.626 -11.830 -3.154 238 HA LYS 38 HA LYS 38 3.282 -10.651 -1.208 239 1HB LYS 38 1HB LYS 38 2.584 -9.631 -3.961 240 2HB LYS 38 2HB LYS 38 4.000 -9.199 -3.008 241 1HG LYS 38 1HG LYS 38 4.848 -10.739 -4.476 242 2HG LYS 38 2HG LYS 38 4.536 -11.731 -3.065 243 1HD LYS 38 1HD LYS 38 3.777 -12.976 -4.905 244 2HD LYS 38 2HD LYS 38 2.315 -12.303 -4.183 245 1HE LYS 38 1HE LYS 38 2.348 -10.488 -5.834 246 2HE LYS 38 2HE LYS 38 3.791 -11.183 -6.566 247 1HZ LYS 38 1HZ LYS 38 2.212 -13.289 -6.696 248 2HZ LYS 38 2HZ LYS 38 1.012 -12.082 -6.702 249 3HZ LYS 38 3HZ LYS 38 2.212 -12.088 -7.903 250 H MET 39 H MET 39 2.557 -9.336 0.358 251 HA MET 39 HA MET 39 0.224 -7.714 -0.034 252 1HB MET 39 1HB MET 39 2.216 -7.709 2.238 253 2HB MET 39 2HB MET 39 0.655 -6.909 2.234 254 1HG MET 39 1HG MET 39 -0.356 -9.212 1.874 255 2HG MET 39 2HG MET 39 1.236 -9.847 2.282 256 1HE MET 39 1HE MET 39 2.438 -8.211 4.098 257 2HE MET 39 2HE MET 39 1.691 -7.796 5.638 258 3HE MET 39 3HE MET 39 2.164 -9.462 5.310 259 H TRP 40 H TRP 40 0.249 -5.367 0.233 260 HA TRP 40 HA TRP 40 2.786 -4.076 -0.511 261 1HB TRP 40 1HB TRP 40 1.626 -2.803 -2.285 262 2HB TRP 40 2HB TRP 40 1.630 -4.534 -2.625 263 HD1 TRP 40 HD1 TRP 40 -0.818 -5.816 -1.918 264 HE1 TRP 40 1HE TRP 40 -3.207 -4.909 -2.160 265 HE3 TRP 40 3HE TRP 40 0.241 -0.844 -2.335 266 HZ2 TRP 40 2HZ TRP 40 -4.469 -2.428 -2.445 267 HZ3 TRP 40 3HZ TRP 40 -1.631 0.733 -2.564 268 HH2 TRP 40 HH2 TRP 40 -3.937 -0.040 -2.625 269 H CYS 41 H CYS 41 1.935 -1.571 -0.944 270 HA CYS 41 HA CYS 41 0.002 -0.613 0.923 271 1HB CYS 41 1HB CYS 41 1.705 0.869 2.133 272 2HB CYS 41 2HB CYS 41 1.629 -0.819 2.617 273 H ALA 42 H ALA 42 -0.597 1.535 0.431 274 HA ALA 42 HA ALA 42 0.209 2.369 -2.193 275 1HB ALA 42 1HB ALA 42 -1.798 3.295 -0.219 276 2HB ALA 42 2HB ALA 42 -1.268 4.428 -1.466 277 3HB ALA 42 3HB ALA 42 -1.985 2.884 -1.924 278 H THR 43 H THR 43 1.057 4.395 -2.774 279 HA THR 43 HA THR 43 2.936 5.434 -0.780 280 HB THR 43 HB THR 43 4.216 6.245 -2.696 281 HG1 THR 43 1HG THR 43 2.907 6.721 -4.314 282 1HG2 THR 43 1HG2 THR 43 4.444 3.987 -3.951 283 2HG2 THR 43 2HG2 THR 43 4.892 4.082 -2.247 284 3HG2 THR 43 3HG2 THR 43 3.338 3.392 -2.716 285 H THR 44 H THR 44 -0.025 5.999 -1.561 286 HA THR 44 HA THR 44 0.177 8.913 -1.299 287 HB THR 44 HB THR 44 -1.936 9.044 -2.687 288 HG1 THR 44 1HG THR 44 -2.759 7.292 -3.484 289 1HG2 THR 44 1HG2 THR 44 -0.867 8.815 -4.863 290 2HG2 THR 44 2HG2 THR 44 0.183 9.639 -3.710 291 3HG2 THR 44 3HG2 THR 44 0.475 7.947 -4.116 292 H ALA 45 H ALA 45 -1.611 9.860 -0.111 293 HA ALA 45 HA ALA 45 -2.390 8.398 2.146 294 1HB ALA 45 1HB ALA 45 -3.303 10.995 0.972 295 2HB ALA 45 2HB ALA 45 -4.086 10.322 2.399 296 3HB ALA 45 3HB ALA 45 -2.363 10.699 2.435 297 H ASN 46 H ASN 46 -4.305 9.287 -0.724 298 HA ASN 46 HA ASN 46 -6.255 7.252 0.104 299 1HB ASN 46 1HB ASN 46 -7.208 9.554 -0.076 300 2HB ASN 46 2HB ASN 46 -6.742 9.576 -1.780 301 1HD2 ASN 46 1HD2 ASN 46 -10.189 7.980 -0.669 302 2HD2 ASN 46 2HD2 ASN 46 -9.185 8.930 0.361 303 H TYR 47 H TYR 47 -5.807 5.452 -0.906 304 HA TYR 47 HA TYR 47 -4.434 5.401 -3.414 305 1HB TYR 47 1HB TYR 47 -4.023 3.719 -1.647 306 2HB TYR 47 2HB TYR 47 -5.658 3.099 -1.885 307 HD1 TYR 47 1HD TYR 47 -2.391 3.593 -3.567 308 HD2 TYR 47 2HD TYR 47 -6.127 1.564 -3.608 309 HE1 TYR 47 1HE TYR 47 -1.571 2.142 -5.366 310 HE2 TYR 47 2HE TYR 47 -5.308 0.111 -5.409 311 HH TYR 47 HH TYR 47 -2.129 -0.180 -6.250 312 H ASP 48 H ASP 48 -7.769 5.051 -2.418 313 HA ASP 48 HA ASP 48 -8.814 3.755 -4.637 314 1HB ASP 48 1HB ASP 48 -9.969 5.749 -2.723 315 2HB ASP 48 2HB ASP 48 -10.912 5.187 -4.097 316 H ASP 49 H ASP 49 -7.890 7.092 -4.244 317 HA ASP 49 HA ASP 49 -9.064 7.870 -6.776 318 1HB ASP 49 1HB ASP 49 -7.594 9.364 -4.615 319 2HB ASP 49 2HB ASP 49 -8.034 10.114 -6.141 320 H ASP 50 H ASP 50 -5.787 8.084 -5.368 321 HA ASP 50 HA ASP 50 -4.597 8.678 -7.898 322 1HB ASP 50 1HB ASP 50 -3.517 8.180 -5.146 323 2HB ASP 50 2HB ASP 50 -2.434 8.350 -6.525 324 H ARG 51 H ARG 51 -4.964 5.735 -6.044 325 HA ARG 51 HA ARG 51 -4.281 3.616 -6.339 326 1HB ARG 51 1HB ARG 51 -4.826 4.460 -9.155 327 2HB ARG 51 2HB ARG 51 -4.520 2.796 -8.684 328 1HG ARG 51 1HG ARG 51 -6.475 4.165 -7.059 329 2HG ARG 51 2HG ARG 51 -6.968 3.945 -8.730 330 1HD ARG 51 1HD ARG 51 -6.185 1.885 -6.684 331 2HD ARG 51 2HD ARG 51 -7.733 2.052 -7.513 332 HE ARG 51 HE ARG 51 -5.797 1.606 -9.467 333 1HH1 ARG 51 1HH1 ARG 51 -7.289 -0.072 -6.797 334 2HH1 ARG 51 2HH1 ARG 51 -6.914 -1.651 -7.409 335 1HH2 ARG 51 1HH2 ARG 51 -5.361 -0.448 -10.314 336 2HH2 ARG 51 2HH2 ARG 51 -5.880 -1.867 -9.455 337 H LYS 52 H LYS 52 -2.094 5.123 -5.859 338 HA LYS 52 HA LYS 52 -0.086 3.951 -7.642 339 1HB LYS 52 1HB LYS 52 0.094 6.417 -5.889 340 2HB LYS 52 2HB LYS 52 1.474 5.711 -6.724 341 1HG LYS 52 1HG LYS 52 0.527 6.194 -8.854 342 2HG LYS 52 2HG LYS 52 -1.011 6.670 -8.131 343 1HD LYS 52 1HD LYS 52 0.061 8.589 -7.079 344 2HD LYS 52 2HD LYS 52 1.623 8.096 -7.738 345 1HE LYS 52 1HE LYS 52 0.886 8.476 -9.968 346 2HE LYS 52 2HE LYS 52 -0.785 8.710 -9.446 347 1HZ LYS 52 1HZ LYS 52 1.043 10.516 -8.162 348 2HZ LYS 52 2HZ LYS 52 1.061 10.669 -9.857 349 3HZ LYS 52 3HZ LYS 52 -0.399 10.837 -9.005 350 H TRP 53 H TRP 53 0.846 2.243 -6.828 351 HA TRP 53 HA TRP 53 1.037 1.992 -3.899 352 1HB TRP 53 1HB TRP 53 0.283 -0.301 -4.140 353 2HB TRP 53 2HB TRP 53 -0.880 0.804 -4.784 354 HD1 TRP 53 HD1 TRP 53 -0.600 1.108 -7.672 355 HE1 TRP 53 1HE TRP 53 -0.246 -0.826 -9.335 356 HE3 TRP 53 3HE TRP 53 1.073 -2.296 -4.399 357 HZ2 TRP 53 2HZ TRP 53 0.660 -3.538 -9.219 358 HZ3 TRP 53 3HZ TRP 53 1.691 -4.575 -5.197 359 HH2 TRP 53 HH2 TRP 53 1.485 -5.170 -7.566 360 H GLY 54 H GLY 54 2.203 0.011 -3.267 361 1HA GLY 54 1HA GLY 54 4.358 -0.957 -4.898 362 2HA GLY 54 2HA GLY 54 4.898 0.137 -3.626 363 H PHE 55 H PHE 55 5.216 -2.808 -4.036 364 HA PHE 55 HA PHE 55 3.699 -4.299 -2.247 365 1HB PHE 55 1HB PHE 55 6.414 -4.592 -3.456 366 2HB PHE 55 2HB PHE 55 5.876 -5.731 -2.238 367 HD1 PHE 55 1HD PHE 55 2.878 -5.167 -3.462 368 HD2 PHE 55 2HD PHE 55 6.603 -6.640 -4.888 369 HE1 PHE 55 1HE PHE 55 1.695 -6.505 -5.164 370 HE2 PHE 55 2HE PHE 55 5.427 -7.982 -6.586 371 HZ PHE 55 HZ PHE 55 2.972 -7.903 -6.730 372 H CYS 56 H CYS 56 4.333 -5.268 -0.250 373 HA CYS 56 HA CYS 56 5.497 -3.346 1.587 374 1HB CYS 56 1HB CYS 56 3.342 -4.699 2.008 375 2HB CYS 56 2HB CYS 56 4.408 -6.074 2.258 376 HA PRO 57 HA PRO 57 9.311 -5.700 1.208 377 1HB PRO 57 1HB PRO 57 10.992 -3.950 2.223 378 2HB PRO 57 2HB PRO 57 10.210 -3.636 0.664 379 1HG PRO 57 1HG PRO 57 9.390 -2.727 3.388 380 2HG PRO 57 2HG PRO 57 9.634 -1.725 1.943 381 1HD PRO 57 1HD PRO 57 7.189 -2.576 2.723 382 2HD PRO 57 2HD PRO 57 7.621 -2.424 1.003 383 H ASP 58 H ASP 58 7.533 -5.158 3.727 384 HA ASP 58 HA ASP 58 9.100 -6.894 5.461 385 1HB ASP 58 1HB ASP 58 9.348 -4.312 6.006 386 2HB ASP 58 2HB ASP 58 7.783 -4.556 6.779 387 H GLN 59 H GLN 59 7.405 -8.299 4.579 388 HA GLN 59 HA GLN 59 4.681 -7.813 5.324 389 1HB GLN 59 1HB GLN 59 5.916 -10.407 4.401 390 2HB GLN 59 2HB GLN 59 4.214 -9.974 4.357 391 1HG GLN 59 1HG GLN 59 4.864 -8.115 2.779 392 2HG GLN 59 2HG GLN 59 6.449 -8.877 2.689 393 1HE2 GLN 59 1HE2 GLN 59 5.481 -11.199 0.343 394 2HE2 GLN 59 2HE2 GLN 59 6.736 -10.358 1.183 395 H GLY 60 H GLY 60 7.350 -9.742 6.578 396 1HA GLY 60 1HA GLY 60 6.635 -9.684 9.212 397 2HA GLY 60 2HA GLY 60 5.733 -11.047 8.559 Start of MODEL 28 1 H SER 1 1H SER 1 13.801 3.524 9.573 2 HA SER 1 HA SER 1 15.877 1.894 8.423 3 1HB SER 1 1HB SER 1 13.917 0.275 8.570 4 2HB SER 1 2HB SER 1 14.475 0.942 10.104 5 HG SER 1 HG SER 1 12.083 0.923 9.577 6 H TRP 2 H TRP 2 15.722 0.936 6.404 7 HA TRP 2 HA TRP 2 14.501 2.555 4.373 8 1HB TRP 2 1HB TRP 2 16.714 1.368 4.130 9 2HB TRP 2 2HB TRP 2 15.826 -0.146 4.067 10 HD1 TRP 2 HD1 TRP 2 14.161 -0.461 1.876 11 HE1 TRP 2 1HE TRP 2 14.453 0.402 -0.535 12 HE3 TRP 2 3HE TRP 2 17.641 3.187 2.736 13 HZ2 TRP 2 2HZ TRP 2 15.965 2.353 -1.885 14 HZ3 TRP 2 3HZ TRP 2 18.479 4.486 0.823 15 HH2 TRP 2 HH2 TRP 2 17.655 4.076 -1.443 16 H MET 3 H MET 3 12.314 2.415 4.885 17 HA MET 3 HA MET 3 11.046 -0.189 4.490 18 1HB MET 3 1HB MET 3 9.047 0.945 5.538 19 2HB MET 3 2HB MET 3 10.417 0.684 6.600 20 1HG MET 3 1HG MET 3 11.037 3.006 6.440 21 2HG MET 3 2HG MET 3 9.782 3.293 5.234 22 1HE MET 3 1HE MET 3 7.525 2.085 5.755 23 2HE MET 3 2HE MET 3 6.739 2.065 7.334 24 3HE MET 3 3HE MET 3 6.787 3.554 6.393 25 H SER 4 H SER 4 11.934 0.977 2.221 26 HA SER 4 HA SER 4 9.947 2.598 0.951 27 1HB SER 4 1HB SER 4 12.119 0.969 -0.390 28 2HB SER 4 2HB SER 4 11.317 2.417 -1.006 29 HG SER 4 HG SER 4 13.531 2.326 0.399 30 H THR 5 H THR 5 9.321 1.578 -1.435 31 HA THR 5 HA THR 5 7.790 -0.798 -0.708 32 HB THR 5 HB THR 5 6.419 -0.123 -2.728 33 HG1 THR 5 1HG THR 5 7.657 1.282 -3.807 34 1HG2 THR 5 1HG2 THR 5 6.088 2.216 -1.112 35 2HG2 THR 5 2HG2 THR 5 5.017 0.829 -1.332 36 3HG2 THR 5 3HG2 THR 5 6.298 0.774 -0.120 37 H VAL 6 H VAL 6 7.124 -2.130 -2.500 38 HA VAL 6 HA VAL 6 9.216 -2.699 -4.502 39 HB VAL 6 HB VAL 6 7.658 -5.025 -3.700 40 1HG1 VAL 6 1HG1 VAL 6 10.366 -4.358 -4.504 41 2HG1 VAL 6 2HG1 VAL 6 10.307 -5.615 -3.267 42 3HG1 VAL 6 3HG1 VAL 6 9.424 -5.823 -4.779 43 1HG2 VAL 6 1HG2 VAL 6 8.546 -3.431 -1.528 44 2HG2 VAL 6 2HG2 VAL 6 7.791 -5.025 -1.492 45 3HG2 VAL 6 3HG2 VAL 6 9.546 -4.884 -1.587 46 H GLY 7 H GLY 7 7.801 -4.662 -5.797 47 1HA GLY 7 1HA GLY 7 6.240 -4.723 -7.543 48 2HA GLY 7 2HA GLY 7 5.158 -4.645 -6.187 49 H GLY 8 H GLY 8 3.574 -3.370 -6.637 50 1HA GLY 8 1HA GLY 8 2.332 -1.615 -7.435 51 2HA GLY 8 2HA GLY 8 3.546 -0.693 -6.585 52 H ASN 9 H ASN 9 3.393 1.035 -7.912 53 HA ASN 9 HA ASN 9 4.631 0.729 -10.559 54 1HB ASN 9 1HB ASN 9 3.070 2.238 -11.565 55 2HB ASN 9 2HB ASN 9 2.121 1.040 -10.717 56 1HD2 ASN 9 1HD2 ASN 9 0.575 3.260 -8.624 57 2HD2 ASN 9 2HD2 ASN 9 0.898 1.632 -9.085 58 H SER 10 H SER 10 3.955 2.596 -7.719 59 HA SER 10 HA SER 10 5.264 4.987 -8.315 60 1HB SER 10 1HB SER 10 5.160 3.677 -5.593 61 2HB SER 10 2HB SER 10 5.237 5.397 -5.959 62 HG SER 10 HG SER 10 3.115 4.845 -5.462 63 H GLY 11 H GLY 11 6.533 1.876 -7.383 64 1HA GLY 11 1HA GLY 11 8.774 1.255 -7.914 65 2HA GLY 11 2HA GLY 11 9.248 2.939 -7.751 66 H GLY 12 H GLY 12 10.007 3.656 -5.827 67 1HA GLY 12 1HA GLY 12 9.771 1.791 -3.546 68 2HA GLY 12 2HA GLY 12 11.297 2.565 -3.952 69 H ALA 13 H ALA 13 8.060 4.006 -3.976 70 HA ALA 13 HA ALA 13 9.054 6.150 -2.291 71 1HB ALA 13 1HB ALA 13 6.627 5.764 -3.975 72 2HB ALA 13 2HB ALA 13 6.595 6.963 -2.685 73 3HB ALA 13 3HB ALA 13 7.799 7.082 -3.970 74 HA PRO 14 HA PRO 14 7.598 4.570 1.559 75 1HB PRO 14 1HB PRO 14 6.984 7.414 2.160 76 2HB PRO 14 2HB PRO 14 7.994 6.267 3.049 77 1HG PRO 14 1HG PRO 14 9.083 8.234 1.594 78 2HG PRO 14 2HG PRO 14 9.832 6.628 1.680 79 1HD PRO 14 1HD PRO 14 8.222 7.858 -0.525 80 2HD PRO 14 2HD PRO 14 9.630 6.779 -0.620 81 H CYS 15 H CYS 15 5.660 3.779 2.155 82 HA CYS 15 HA CYS 15 3.288 4.654 0.808 83 1HB CYS 15 1HB CYS 15 3.841 2.574 2.910 84 2HB CYS 15 2HB CYS 15 2.195 2.963 2.416 85 H VAL 16 H VAL 16 1.768 6.035 1.480 86 HA VAL 16 HA VAL 16 2.189 7.517 3.926 87 HB VAL 16 HB VAL 16 0.053 7.795 1.796 88 1HG1 VAL 16 1HG1 VAL 16 0.335 9.046 4.392 89 2HG1 VAL 16 2HG1 VAL 16 0.385 10.235 3.089 90 3HG1 VAL 16 3HG1 VAL 16 -0.990 9.141 3.233 91 1HG2 VAL 16 1HG2 VAL 16 2.803 8.501 1.815 92 2HG2 VAL 16 2HG2 VAL 16 1.592 8.824 0.574 93 3HG2 VAL 16 3HG2 VAL 16 1.851 9.984 1.876 94 H PHE 17 H PHE 17 1.353 6.892 5.818 95 HA PHE 17 HA PHE 17 -1.161 5.369 5.804 96 1HB PHE 17 1HB PHE 17 1.228 5.209 7.637 97 2HB PHE 17 2HB PHE 17 -0.317 4.475 8.015 98 HD1 PHE 17 1HD PHE 17 -0.529 3.956 4.774 99 HD2 PHE 17 2HD PHE 17 2.056 2.888 7.970 100 HE1 PHE 17 1HE PHE 17 0.181 1.959 3.534 101 HE2 PHE 17 2HE PHE 17 2.778 0.891 6.751 102 HZ PHE 17 HZ PHE 17 1.848 0.399 4.501 103 HA PRO 18 HA PRO 18 -2.543 4.698 7.034 104 1HB PRO 18 1HB PRO 18 -5.182 5.567 7.649 105 2HB PRO 18 2HB PRO 18 -4.149 4.518 8.622 106 1HG PRO 18 1HG PRO 18 -4.975 7.080 9.332 107 2HG PRO 18 2HG PRO 18 -3.608 6.203 10.045 108 1HD PRO 18 1HD PRO 18 -3.607 8.323 7.937 109 2HD PRO 18 2HD PRO 18 -2.446 8.037 9.253 110 H PHE 19 H PHE 19 -3.357 4.105 5.051 111 HA PHE 19 HA PHE 19 -4.402 6.319 3.424 112 1HB PHE 19 1HB PHE 19 -3.900 5.035 1.432 113 2HB PHE 19 2HB PHE 19 -2.462 5.189 2.419 114 HD1 PHE 19 1HD PHE 19 -1.882 3.144 3.923 115 HD2 PHE 19 2HD PHE 19 -4.526 2.988 0.594 116 HE1 PHE 19 1HE PHE 19 -1.499 0.723 3.736 117 HE2 PHE 19 2HE PHE 19 -4.147 0.568 0.403 118 HZ PHE 19 HZ PHE 19 -2.630 -0.568 1.966 119 H THR 20 H THR 20 -5.804 4.832 1.536 120 HA THR 20 HA THR 20 -7.769 3.312 3.055 121 HB THR 20 HB THR 20 -8.407 5.907 1.613 122 HG1 THR 20 1HG THR 20 -7.756 5.499 4.088 123 1HG2 THR 20 1HG2 THR 20 -10.726 5.552 2.460 124 2HG2 THR 20 2HG2 THR 20 -10.237 4.518 1.117 125 3HG2 THR 20 3HG2 THR 20 -10.281 3.870 2.757 126 H PHE 21 H PHE 21 -8.455 1.660 1.937 127 HA PHE 21 HA PHE 21 -8.437 1.842 -1.012 128 1HB PHE 21 1HB PHE 21 -6.561 0.413 0.046 129 2HB PHE 21 2HB PHE 21 -7.843 -0.668 0.541 130 HD1 PHE 21 1HD PHE 21 -6.729 1.045 -2.587 131 HD2 PHE 21 2HD PHE 21 -8.285 -2.477 -0.796 132 HE1 PHE 21 1HE PHE 21 -6.528 -0.129 -4.727 133 HE2 PHE 21 2HE PHE 21 -8.082 -3.656 -2.932 134 HZ PHE 21 HZ PHE 21 -7.211 -2.488 -4.917 135 H LEU 22 H LEU 22 -10.153 0.963 -1.969 136 HA LEU 22 HA LEU 22 -12.362 0.521 -2.165 137 1HB LEU 22 1HB LEU 22 -10.723 -1.708 -1.182 138 2HB LEU 22 2HB LEU 22 -12.407 -2.003 -1.556 139 HG LEU 22 HG LEU 22 -10.815 -2.513 -3.409 140 1HD1 LEU 22 1HD1 LEU 22 -13.273 -1.651 -3.492 141 2HD1 LEU 22 2HD1 LEU 22 -12.494 -0.302 -4.321 142 3HD1 LEU 22 3HD1 LEU 22 -12.327 -1.939 -4.953 143 1HD2 LEU 22 1HD2 LEU 22 -9.462 -0.380 -2.904 144 2HD2 LEU 22 2HD2 LEU 22 -9.680 -0.907 -4.572 145 3HD2 LEU 22 3HD2 LEU 22 -10.670 0.403 -3.924 146 H GLY 23 H GLY 23 -12.309 2.033 0.010 147 1HA GLY 23 1HA GLY 23 -14.043 2.597 1.480 148 2HA GLY 23 2HA GLY 23 -14.526 0.916 1.518 149 H ASN 24 H ASN 24 -11.386 0.485 2.229 150 HA ASN 24 HA ASN 24 -11.900 0.953 5.095 151 1HB ASN 24 1HB ASN 24 -10.219 -1.186 3.778 152 2HB ASN 24 2HB ASN 24 -10.490 -1.002 5.505 153 1HD2 ASN 24 1HD2 ASN 24 -13.084 -2.972 3.208 154 2HD2 ASN 24 2HD2 ASN 24 -11.565 -2.374 2.652 155 H LYS 25 H LYS 25 -10.456 2.026 6.291 156 HA LYS 25 HA LYS 25 -8.269 3.366 5.022 157 1HB LYS 25 1HB LYS 25 -9.149 3.253 7.916 158 2HB LYS 25 2HB LYS 25 -8.047 4.405 7.211 159 1HG LYS 25 1HG LYS 25 -9.789 5.388 5.893 160 2HG LYS 25 2HG LYS 25 -10.917 4.128 6.397 161 1HD LYS 25 1HD LYS 25 -11.388 6.084 7.685 162 2HD LYS 25 2HD LYS 25 -10.615 4.910 8.750 163 1HE LYS 25 1HE LYS 25 -8.451 6.074 8.372 164 2HE LYS 25 2HE LYS 25 -9.319 7.303 7.449 165 1HZ LYS 25 1HZ LYS 25 -10.332 6.742 10.117 166 2HZ LYS 25 2HZ LYS 25 -8.812 7.503 10.045 167 3HZ LYS 25 3HZ LYS 25 -10.160 8.229 9.308 168 H TYR 26 H TYR 26 -6.194 2.566 4.951 169 HA TYR 26 HA TYR 26 -5.619 0.314 6.739 170 1HB TYR 26 1HB TYR 26 -4.332 0.993 4.101 171 2HB TYR 26 2HB TYR 26 -3.963 -0.392 5.111 172 HD1 TYR 26 1HD TYR 26 -6.987 -0.827 5.850 173 HD2 TYR 26 2HD TYR 26 -4.886 -0.369 2.191 174 HE1 TYR 26 1HE TYR 26 -8.679 -2.188 4.711 175 HE2 TYR 26 2HE TYR 26 -6.568 -1.712 1.039 176 HH TYR 26 HH TYR 26 -8.530 -3.747 2.329 177 H GLU 27 H GLU 27 -4.373 0.670 8.291 178 HA GLU 27 HA GLU 27 -2.641 3.003 8.375 179 1HB GLU 27 1HB GLU 27 -3.444 0.974 10.456 180 2HB GLU 27 2HB GLU 27 -2.437 2.371 10.757 181 1HG GLU 27 1HG GLU 27 -4.193 3.869 10.433 182 2HG GLU 27 2HG GLU 27 -5.175 2.668 9.595 183 H SER 28 H SER 28 -2.414 -0.201 7.516 184 HA SER 28 HA SER 28 0.494 -0.110 7.675 185 1HB SER 28 1HB SER 28 0.399 -2.565 8.289 186 2HB SER 28 2HB SER 28 -0.064 -1.458 9.571 187 HG SER 28 HG SER 28 -1.714 -3.094 7.955 188 H CYS 29 H CYS 29 0.923 -2.649 6.510 189 HA CYS 29 HA CYS 29 0.184 -2.075 3.812 190 1HB CYS 29 1HB CYS 29 1.493 -4.521 4.998 191 2HB CYS 29 2HB CYS 29 1.317 -4.207 3.286 192 H THR 30 H THR 30 -0.777 -3.852 2.447 193 HA THR 30 HA THR 30 -2.823 -5.459 3.775 194 HB THR 30 HB THR 30 -3.874 -3.205 3.389 195 HG1 THR 30 1HG THR 30 -5.360 -4.749 3.327 196 1HG2 THR 30 1HG2 THR 30 -4.498 -2.874 0.881 197 2HG2 THR 30 2HG2 THR 30 -2.965 -2.255 1.496 198 3HG2 THR 30 3HG2 THR 30 -3.004 -3.766 0.586 199 H SER 31 H SER 31 -4.006 -6.786 2.137 200 HA SER 31 HA SER 31 -2.344 -7.290 -0.237 201 1HB SER 31 1HB SER 31 -3.057 -9.699 -0.019 202 2HB SER 31 2HB SER 31 -1.983 -9.133 1.268 203 HG SER 31 HG SER 31 -3.962 -10.390 1.859 204 H ALA 32 H ALA 32 -4.681 -5.635 0.456 205 HA ALA 32 HA ALA 32 -7.084 -6.606 -0.577 206 1HB ALA 32 1HB ALA 32 -6.889 -4.568 0.800 207 2HB ALA 32 2HB ALA 32 -6.049 -3.763 -0.526 208 3HB ALA 32 3HB ALA 32 -7.736 -4.240 -0.713 209 H GLY 33 H GLY 33 -8.031 -6.604 -2.546 210 1HA GLY 33 1HA GLY 33 -8.260 -6.400 -4.831 211 2HA GLY 33 2HA GLY 33 -6.933 -5.251 -4.814 212 H ARG 34 H ARG 34 -5.599 -7.732 -3.283 213 HA ARG 34 HA ARG 34 -4.565 -8.851 -5.786 214 1HB ARG 34 1HB ARG 34 -3.323 -8.993 -3.039 215 2HB ARG 34 2HB ARG 34 -2.585 -9.426 -4.560 216 1HG ARG 34 1HG ARG 34 -3.064 -6.895 -5.134 217 2HG ARG 34 2HG ARG 34 -3.047 -6.749 -3.378 218 1HD ARG 34 1HD ARG 34 -0.842 -6.340 -4.362 219 2HD ARG 34 2HD ARG 34 -0.842 -7.741 -3.289 220 HE ARG 34 HE ARG 34 -0.267 -9.050 -5.060 221 1HH1 ARG 34 1HH1 ARG 34 -1.591 -6.039 -6.262 222 2HH1 ARG 34 2HH1 ARG 34 -1.271 -6.401 -7.935 223 1HH2 ARG 34 1HH2 ARG 34 0.160 -9.543 -7.272 224 2HH2 ARG 34 2HH2 ARG 34 -0.244 -8.380 -8.491 225 H SER 35 H SER 35 -4.948 -9.962 -2.443 226 HA SER 35 HA SER 35 -5.673 -11.888 -1.516 227 1HB SER 35 1HB SER 35 -7.173 -12.153 -4.130 228 2HB SER 35 2HB SER 35 -7.418 -13.195 -2.725 229 HG SER 35 HG SER 35 -8.398 -11.599 -1.679 230 H ASP 36 H ASP 36 -3.319 -11.758 -3.511 231 HA ASP 36 HA ASP 36 -3.111 -14.573 -4.220 232 1HB ASP 36 1HB ASP 36 -0.780 -13.659 -5.072 233 2HB ASP 36 2HB ASP 36 -2.245 -13.451 -6.002 234 H GLY 37 H GLY 37 -0.826 -12.304 -2.898 235 1HA GLY 37 1HA GLY 37 -0.435 -13.555 -0.435 236 2HA GLY 37 2HA GLY 37 0.755 -14.193 -1.557 237 H LYS 38 H LYS 38 0.992 -11.693 -3.048 238 HA LYS 38 HA LYS 38 3.003 -10.461 -1.456 239 1HB LYS 38 1HB LYS 38 1.843 -9.325 -3.993 240 2HB LYS 38 2HB LYS 38 3.485 -9.177 -3.380 241 1HG LYS 38 1HG LYS 38 3.780 -10.689 -5.060 242 2HG LYS 38 2HG LYS 38 3.512 -11.784 -3.720 243 1HD LYS 38 1HD LYS 38 1.179 -12.022 -4.388 244 2HD LYS 38 2HD LYS 38 1.434 -10.883 -5.710 245 1HE LYS 38 1HE LYS 38 3.001 -12.391 -6.757 246 2HE LYS 38 2HE LYS 38 2.890 -13.506 -5.397 247 1HZ LYS 38 1HZ LYS 38 0.332 -12.900 -6.544 248 2HZ LYS 38 2HZ LYS 38 1.388 -13.601 -7.670 249 3HZ LYS 38 3HZ LYS 38 1.035 -14.407 -6.212 250 H MET 39 H MET 39 2.561 -9.047 0.142 251 HA MET 39 HA MET 39 0.083 -7.539 0.057 252 1HB MET 39 1HB MET 39 2.239 -7.571 2.173 253 2HB MET 39 2HB MET 39 0.641 -6.862 2.310 254 1HG MET 39 1HG MET 39 -0.384 -9.055 2.123 255 2HG MET 39 2HG MET 39 1.216 -9.786 1.968 256 1HE MET 39 1HE MET 39 0.273 -11.373 3.860 257 2HE MET 39 2HE MET 39 0.031 -10.890 5.535 258 3HE MET 39 3HE MET 39 -1.161 -10.449 4.311 259 H TRP 40 H TRP 40 -0.042 -5.302 0.035 260 HA TRP 40 HA TRP 40 2.421 -3.832 -0.645 261 1HB TRP 40 1HB TRP 40 1.156 -2.637 -2.406 262 2HB TRP 40 2HB TRP 40 1.276 -4.363 -2.747 263 HD1 TRP 40 HD1 TRP 40 -1.097 -5.794 -1.958 264 HE1 TRP 40 1HE TRP 40 -3.540 -5.042 -2.214 265 HE3 TRP 40 3HE TRP 40 -0.344 -0.788 -2.548 266 HZ2 TRP 40 2HZ TRP 40 -4.959 -2.649 -2.590 267 HZ3 TRP 40 3HZ TRP 40 -2.303 0.673 -2.830 268 HH2 TRP 40 HH2 TRP 40 -4.563 -0.242 -2.856 269 H CYS 41 H CYS 41 1.249 -1.396 -1.140 270 HA CYS 41 HA CYS 41 -0.651 -0.557 0.768 271 1HB CYS 41 1HB CYS 41 0.928 0.939 2.081 272 2HB CYS 41 2HB CYS 41 0.997 -0.775 2.467 273 H ALA 42 H ALA 42 -1.062 1.765 0.577 274 HA ALA 42 HA ALA 42 -0.433 2.656 -2.099 275 1HB ALA 42 1HB ALA 42 -2.317 3.524 0.021 276 2HB ALA 42 2HB ALA 42 -1.823 4.718 -1.179 277 3HB ALA 42 3HB ALA 42 -2.599 3.219 -1.695 278 H THR 43 H THR 43 0.639 4.510 -2.675 279 HA THR 43 HA THR 43 2.520 5.485 -0.663 280 HB THR 43 HB THR 43 3.858 6.254 -2.557 281 HG1 THR 43 1HG THR 43 2.947 6.572 -4.413 282 1HG2 THR 43 1HG2 THR 43 3.766 3.874 -3.831 283 2HG2 THR 43 2HG2 THR 43 4.598 4.155 -2.302 284 3HG2 THR 43 3HG2 THR 43 2.971 3.473 -2.308 285 H THR 44 H THR 44 -0.390 6.217 -1.355 286 HA THR 44 HA THR 44 -0.034 9.108 -1.056 287 HB THR 44 HB THR 44 -2.098 9.415 -2.467 288 HG1 THR 44 1HG THR 44 -3.112 7.701 -3.071 289 1HG2 THR 44 1HG2 THR 44 -0.990 8.841 -4.696 290 2HG2 THR 44 2HG2 THR 44 -0.169 9.985 -3.634 291 3HG2 THR 44 3HG2 THR 44 0.384 8.312 -3.723 292 H ALA 45 H ALA 45 -1.917 10.111 0.030 293 HA ALA 45 HA ALA 45 -2.726 8.629 2.279 294 1HB ALA 45 1HB ALA 45 -2.578 11.158 2.022 295 2HB ALA 45 2HB ALA 45 -4.177 11.058 1.290 296 3HB ALA 45 3HB ALA 45 -3.935 10.521 2.953 297 H ASN 46 H ASN 46 -4.487 9.479 -0.678 298 HA ASN 46 HA ASN 46 -6.507 7.482 0.094 299 1HB ASN 46 1HB ASN 46 -7.362 9.853 -0.076 300 2HB ASN 46 2HB ASN 46 -6.943 9.812 -1.786 301 1HD2 ASN 46 1HD2 ASN 46 -10.380 8.302 -0.486 302 2HD2 ASN 46 2HD2 ASN 46 -9.282 9.177 0.511 303 H TYR 47 H TYR 47 -5.983 5.689 -0.944 304 HA TYR 47 HA TYR 47 -4.539 5.664 -3.393 305 1HB TYR 47 1HB TYR 47 -4.395 3.836 -1.730 306 2HB TYR 47 2HB TYR 47 -6.061 3.397 -2.101 307 HD1 TYR 47 1HD TYR 47 -2.646 3.584 -3.489 308 HD2 TYR 47 2HD TYR 47 -6.590 2.115 -4.027 309 HE1 TYR 47 1HE TYR 47 -1.866 2.172 -5.332 310 HE2 TYR 47 2HE TYR 47 -5.812 0.691 -5.868 311 HH TYR 47 HH TYR 47 -3.225 -0.335 -6.458 312 H ASP 48 H ASP 48 -7.948 5.186 -2.575 313 HA ASP 48 HA ASP 48 -8.924 4.173 -4.915 314 1HB ASP 48 1HB ASP 48 -10.157 6.159 -3.027 315 2HB ASP 48 2HB ASP 48 -11.043 5.443 -4.366 316 H ASP 49 H ASP 49 -8.103 7.529 -4.284 317 HA ASP 49 HA ASP 49 -9.116 8.381 -6.853 318 1HB ASP 49 1HB ASP 49 -7.808 9.820 -4.564 319 2HB ASP 49 2HB ASP 49 -8.120 10.609 -6.102 320 H ASP 50 H ASP 50 -5.911 8.600 -5.276 321 HA ASP 50 HA ASP 50 -4.637 9.316 -7.731 322 1HB ASP 50 1HB ASP 50 -3.588 8.660 -4.994 323 2HB ASP 50 2HB ASP 50 -2.522 9.016 -6.350 324 H ARG 51 H ARG 51 -5.232 6.281 -6.203 325 HA ARG 51 HA ARG 51 -4.537 4.181 -6.567 326 1HB ARG 51 1HB ARG 51 -4.838 5.218 -9.358 327 2HB ARG 51 2HB ARG 51 -4.733 3.515 -8.939 328 1HG ARG 51 1HG ARG 51 -6.633 4.606 -7.225 329 2HG ARG 51 2HG ARG 51 -6.997 5.249 -8.835 330 1HD ARG 51 1HD ARG 51 -6.486 2.348 -8.254 331 2HD ARG 51 2HD ARG 51 -8.096 3.071 -8.211 332 HE ARG 51 HE ARG 51 -7.017 3.748 -10.665 333 1HH1 ARG 51 1HH1 ARG 51 -7.786 0.785 -8.977 334 2HH1 ARG 51 2HH1 ARG 51 -8.179 -0.086 -10.423 335 1HH2 ARG 51 1HH2 ARG 51 -7.624 2.625 -12.558 336 2HH2 ARG 51 2HH2 ARG 51 -8.106 0.959 -12.450 337 H LYS 52 H LYS 52 -2.311 5.409 -5.788 338 HA LYS 52 HA LYS 52 -0.299 4.244 -7.577 339 1HB LYS 52 1HB LYS 52 -0.018 6.647 -5.760 340 2HB LYS 52 2HB LYS 52 1.357 5.820 -6.479 341 1HG LYS 52 1HG LYS 52 0.360 6.289 -8.724 342 2HG LYS 52 2HG LYS 52 -0.847 7.282 -7.912 343 1HD LYS 52 1HD LYS 52 0.898 8.717 -8.717 344 2HD LYS 52 2HD LYS 52 0.994 8.646 -6.952 345 1HE LYS 52 1HE LYS 52 3.215 8.495 -7.970 346 2HE LYS 52 2HE LYS 52 2.808 7.011 -7.114 347 1HZ LYS 52 1HZ LYS 52 2.419 7.327 -10.034 348 2HZ LYS 52 2HZ LYS 52 3.864 6.746 -9.371 349 3HZ LYS 52 3HZ LYS 52 2.425 5.884 -9.133 350 H TRP 53 H TRP 53 0.486 2.468 -6.811 351 HA TRP 53 HA TRP 53 0.571 2.078 -3.902 352 1HB TRP 53 1HB TRP 53 -0.193 -0.180 -4.266 353 2HB TRP 53 2HB TRP 53 -1.311 0.951 -4.937 354 HD1 TRP 53 HD1 TRP 53 -0.806 1.347 -7.821 355 HE1 TRP 53 1HE TRP 53 -0.424 -0.567 -9.510 356 HE3 TRP 53 3HE TRP 53 0.467 -2.218 -4.536 357 HZ2 TRP 53 2HZ TRP 53 0.326 -3.324 -9.402 358 HZ3 TRP 53 3HZ TRP 53 1.000 -4.504 -5.350 359 HH2 TRP 53 HH2 TRP 53 0.931 -5.036 -7.741 360 H GLY 54 H GLY 54 1.758 0.126 -3.293 361 1HA GLY 54 1HA GLY 54 3.961 -0.783 -4.885 362 2HA GLY 54 2HA GLY 54 4.456 0.343 -3.621 363 H PHE 55 H PHE 55 4.902 -2.622 -3.979 364 HA PHE 55 HA PHE 55 3.401 -4.072 -2.102 365 1HB PHE 55 1HB PHE 55 6.149 -4.457 -3.272 366 2HB PHE 55 2HB PHE 55 5.478 -5.571 -2.098 367 HD1 PHE 55 1HD PHE 55 2.737 -4.509 -3.862 368 HD2 PHE 55 2HD PHE 55 6.230 -6.884 -4.348 369 HE1 PHE 55 1HE PHE 55 1.614 -5.791 -5.641 370 HE2 PHE 55 2HE PHE 55 5.118 -8.169 -6.136 371 HZ PHE 55 HZ PHE 55 2.805 -7.614 -6.787 372 H CYS 56 H CYS 56 4.114 -4.957 -0.085 373 HA CYS 56 HA CYS 56 5.136 -2.968 1.712 374 1HB CYS 56 1HB CYS 56 3.361 -4.851 2.112 375 2HB CYS 56 2HB CYS 56 4.761 -5.875 2.397 376 HA PRO 57 HA PRO 57 9.405 -4.156 1.358 377 1HB PRO 57 1HB PRO 57 10.451 -3.039 3.513 378 2HB PRO 57 2HB PRO 57 9.728 -2.031 2.244 379 1HG PRO 57 1HG PRO 57 8.441 -3.099 4.721 380 2HG PRO 57 2HG PRO 57 8.572 -1.394 4.237 381 1HD PRO 57 1HD PRO 57 6.352 -2.767 3.710 382 2HD PRO 57 2HD PRO 57 7.027 -1.686 2.469 383 H ASP 58 H ASP 58 11.055 -4.547 3.608 384 HA ASP 58 HA ASP 58 10.781 -7.330 3.981 385 1HB ASP 58 1HB ASP 58 12.951 -6.075 4.102 386 2HB ASP 58 2HB ASP 58 12.430 -5.432 5.657 387 H GLN 59 H GLN 59 9.163 -8.188 5.059 388 HA GLN 59 HA GLN 59 8.005 -6.848 7.362 389 1HB GLN 59 1HB GLN 59 7.222 -9.454 6.041 390 2HB GLN 59 2HB GLN 59 6.296 -8.601 7.266 391 1HG GLN 59 1HG GLN 59 5.917 -6.773 5.766 392 2HG GLN 59 2HG GLN 59 6.966 -7.504 4.551 393 1HE2 GLN 59 1HE2 GLN 59 4.371 -9.227 3.091 394 2HE2 GLN 59 2HE2 GLN 59 5.923 -8.470 2.980 395 H GLY 60 H GLY 60 9.067 -7.093 9.220 396 1HA GLY 60 1HA GLY 60 10.576 -9.500 9.781 397 2HA GLY 60 2HA GLY 60 10.445 -8.086 10.812 Start of MODEL 29 1 H SER 1 1H SER 1 11.949 6.655 9.108 2 HA SER 1 HA SER 1 9.786 7.695 7.419 3 1HB SER 1 1HB SER 1 11.645 7.396 5.653 4 2HB SER 1 2HB SER 1 11.748 8.805 6.713 5 HG SER 1 HG SER 1 13.365 6.535 6.563 6 H TRP 2 H TRP 2 9.298 6.237 5.660 7 HA TRP 2 HA TRP 2 9.480 3.438 6.505 8 1HB TRP 2 1HB TRP 2 7.769 4.765 4.378 9 2HB TRP 2 2HB TRP 2 7.707 3.059 4.810 10 HD1 TRP 2 HD1 TRP 2 5.354 5.427 5.136 11 HE1 TRP 2 1HE TRP 2 4.166 5.544 7.415 12 HE3 TRP 2 3HE TRP 2 8.788 2.892 7.989 13 HZ2 TRP 2 2HZ TRP 2 4.608 4.668 10.055 14 HZ3 TRP 2 3HZ TRP 2 8.311 2.566 10.387 15 HH2 TRP 2 HH2 TRP 2 6.261 3.438 11.394 16 H MET 3 H MET 3 10.007 1.781 4.916 17 HA MET 3 HA MET 3 12.265 2.561 3.310 18 1HB MET 3 1HB MET 3 10.880 -0.107 3.654 19 2HB MET 3 2HB MET 3 12.348 0.132 2.717 20 1HG MET 3 1HG MET 3 12.038 0.632 5.668 21 2HG MET 3 2HG MET 3 12.823 -0.762 4.918 22 1HE MET 3 1HE MET 3 14.198 0.616 7.054 23 2HE MET 3 2HE MET 3 15.345 -0.344 6.117 24 3HE MET 3 3HE MET 3 15.725 1.328 6.531 25 H SER 4 H SER 4 12.469 1.946 0.995 26 HA SER 4 HA SER 4 10.308 2.994 -0.520 27 1HB SER 4 1HB SER 4 12.657 1.390 -1.549 28 2HB SER 4 2HB SER 4 11.664 2.525 -2.465 29 HG SER 4 HG SER 4 13.649 3.014 -0.542 30 H THR 5 H THR 5 9.082 1.888 -2.142 31 HA THR 5 HA THR 5 8.185 -0.674 -1.201 32 HB THR 5 HB THR 5 6.535 -0.391 -3.122 33 HG1 THR 5 1HG THR 5 7.322 2.301 -3.126 34 1HG2 THR 5 1HG2 THR 5 5.467 1.700 -1.994 35 2HG2 THR 5 2HG2 THR 5 5.543 0.155 -1.147 36 3HG2 THR 5 3HG2 THR 5 6.717 1.420 -0.783 37 H VAL 6 H VAL 6 7.579 -2.289 -2.832 38 HA VAL 6 HA VAL 6 9.565 -2.705 -4.930 39 HB VAL 6 HB VAL 6 10.414 -4.380 -3.662 40 1HG1 VAL 6 1HG1 VAL 6 8.700 -3.369 -1.801 41 2HG1 VAL 6 2HG1 VAL 6 8.237 -5.068 -1.872 42 3HG1 VAL 6 3HG1 VAL 6 9.902 -4.624 -1.507 43 1HG2 VAL 6 1HG2 VAL 6 7.797 -5.542 -4.458 44 2HG2 VAL 6 2HG2 VAL 6 9.427 -5.981 -4.979 45 3HG2 VAL 6 3HG2 VAL 6 8.858 -6.453 -3.381 46 H GLY 7 H GLY 7 8.484 -4.316 -6.591 47 1HA GLY 7 1HA GLY 7 6.522 -4.913 -7.760 48 2HA GLY 7 2HA GLY 7 5.672 -4.696 -6.262 49 H GLY 8 H GLY 8 3.939 -3.636 -7.109 50 1HA GLY 8 1HA GLY 8 2.683 -1.907 -7.942 51 2HA GLY 8 2HA GLY 8 3.753 -0.969 -6.925 52 H ASN 9 H ASN 9 3.596 0.816 -8.167 53 HA ASN 9 HA ASN 9 5.337 0.876 -10.482 54 1HB ASN 9 1HB ASN 9 3.709 2.063 -11.907 55 2HB ASN 9 2HB ASN 9 3.213 0.421 -11.555 56 1HD2 ASN 9 1HD2 ASN 9 1.029 2.593 -9.085 57 2HD2 ASN 9 2HD2 ASN 9 2.679 2.140 -8.840 58 H SER 10 H SER 10 5.364 1.855 -7.779 59 HA SER 10 HA SER 10 4.814 4.621 -7.659 60 1HB SER 10 1HB SER 10 6.717 4.181 -5.753 61 2HB SER 10 2HB SER 10 4.996 3.848 -5.532 62 HG SER 10 HG SER 10 6.547 2.058 -5.075 63 H GLY 11 H GLY 11 7.962 2.912 -7.790 64 1HA GLY 11 1HA GLY 11 9.764 3.511 -9.206 65 2HA GLY 11 2HA GLY 11 8.984 5.060 -9.501 66 H GLY 12 H GLY 12 9.868 3.387 -6.481 67 1HA GLY 12 1HA GLY 12 11.657 3.977 -5.049 68 2HA GLY 12 2HA GLY 12 11.835 5.484 -5.931 69 H ALA 13 H ALA 13 8.614 4.693 -5.056 70 HA ALA 13 HA ALA 13 8.715 6.789 -2.998 71 1HB ALA 13 1HB ALA 13 7.124 6.828 -5.058 72 2HB ALA 13 2HB ALA 13 6.161 5.699 -4.109 73 3HB ALA 13 3HB ALA 13 6.510 7.306 -3.475 74 HA PRO 14 HA PRO 14 7.835 3.666 0.033 75 1HB PRO 14 1HB PRO 14 7.491 5.343 2.146 76 2HB PRO 14 2HB PRO 14 9.070 4.949 1.469 77 1HG PRO 14 1HG PRO 14 7.543 7.449 1.302 78 2HG PRO 14 2HG PRO 14 9.272 7.173 1.059 79 1HD PRO 14 1HD PRO 14 7.242 7.511 -0.937 80 2HD PRO 14 2HD PRO 14 8.974 7.215 -1.167 81 H CYS 15 H CYS 15 6.117 3.210 1.743 82 HA CYS 15 HA CYS 15 3.535 3.602 0.548 83 1HB CYS 15 1HB CYS 15 3.907 2.548 3.343 84 2HB CYS 15 2HB CYS 15 2.702 2.095 2.151 85 H VAL 16 H VAL 16 1.759 4.738 1.451 86 HA VAL 16 HA VAL 16 2.483 6.756 3.487 87 HB VAL 16 HB VAL 16 0.437 6.993 1.258 88 1HG1 VAL 16 1HG1 VAL 16 1.071 8.771 3.599 89 2HG1 VAL 16 2HG1 VAL 16 0.365 9.411 2.117 90 3HG1 VAL 16 3HG1 VAL 16 -0.503 8.189 3.047 91 1HG2 VAL 16 1HG2 VAL 16 3.207 7.520 1.307 92 2HG2 VAL 16 2HG2 VAL 16 2.046 7.929 0.043 93 3HG2 VAL 16 3HG2 VAL 16 2.387 9.080 1.338 94 H PHE 17 H PHE 17 1.542 6.355 5.402 95 HA PHE 17 HA PHE 17 -1.029 4.947 5.398 96 1HB PHE 17 1HB PHE 17 1.165 4.979 7.468 97 2HB PHE 17 2HB PHE 17 -0.400 4.225 7.688 98 HD1 PHE 17 1HD PHE 17 -1.067 2.528 5.734 99 HD2 PHE 17 2HD PHE 17 2.884 3.670 6.802 100 HE1 PHE 17 1HE PHE 17 -0.193 0.471 4.710 101 HE2 PHE 17 2HE PHE 17 3.773 1.626 5.778 102 HZ PHE 17 HZ PHE 17 2.246 -0.001 4.714 103 HA PRO 18 HA PRO 18 -2.564 4.503 6.506 104 1HB PRO 18 1HB PRO 18 -5.193 5.471 6.760 105 2HB PRO 18 2HB PRO 18 -4.269 4.609 7.988 106 1HG PRO 18 1HG PRO 18 -5.113 7.298 8.087 107 2HG PRO 18 2HG PRO 18 -3.979 6.499 9.190 108 1HD PRO 18 1HD PRO 18 -3.441 8.287 6.879 109 2HD PRO 18 2HD PRO 18 -2.494 8.041 8.363 110 H PHE 19 H PHE 19 -2.982 3.781 4.474 111 HA PHE 19 HA PHE 19 -3.931 5.795 2.545 112 1HB PHE 19 1HB PHE 19 -3.153 4.390 0.759 113 2HB PHE 19 2HB PHE 19 -1.843 4.623 1.907 114 HD1 PHE 19 1HD PHE 19 -1.388 2.725 3.566 115 HD2 PHE 19 2HD PHE 19 -3.801 2.264 0.097 116 HE1 PHE 19 1HE PHE 19 -1.055 0.291 3.655 117 HE2 PHE 19 2HE PHE 19 -3.464 -0.167 0.176 118 HZ PHE 19 HZ PHE 19 -2.088 -1.158 1.957 119 H THR 20 H THR 20 -5.911 5.660 1.733 120 HA THR 20 HA THR 20 -7.580 3.471 2.688 121 HB THR 20 HB THR 20 -8.416 5.925 1.120 122 HG1 THR 20 1HG THR 20 -8.045 7.039 2.835 123 1HG2 THR 20 1HG2 THR 20 -10.314 5.179 3.058 124 2HG2 THR 20 2HG2 THR 20 -10.470 5.160 1.299 125 3HG2 THR 20 3HG2 THR 20 -9.888 3.729 2.147 126 H PHE 21 H PHE 21 -8.094 1.793 1.495 127 HA PHE 21 HA PHE 21 -7.939 2.055 -1.436 128 1HB PHE 21 1HB PHE 21 -6.248 0.488 -0.423 129 2HB PHE 21 2HB PHE 21 -7.589 -0.461 0.174 130 HD1 PHE 21 1HD PHE 21 -5.872 0.649 -2.870 131 HD2 PHE 21 2HD PHE 21 -8.820 -1.961 -1.271 132 HE1 PHE 21 1HE PHE 21 -5.844 -0.618 -4.956 133 HE2 PHE 21 2HE PHE 21 -8.794 -3.240 -3.367 134 HZ PHE 21 HZ PHE 21 -7.318 -2.586 -5.211 135 H LEU 22 H LEU 22 -9.660 1.627 -2.502 136 HA LEU 22 HA LEU 22 -11.855 1.463 -2.898 137 1HB LEU 22 1HB LEU 22 -10.589 -1.078 -2.137 138 2HB LEU 22 2HB LEU 22 -12.256 -1.087 -2.683 139 HG LEU 22 HG LEU 22 -10.574 -1.544 -4.466 140 1HD1 LEU 22 1HD1 LEU 22 -12.869 -0.355 -4.634 141 2HD1 LEU 22 2HD1 LEU 22 -11.855 1.010 -5.113 142 3HD1 LEU 22 3HD1 LEU 22 -11.796 -0.489 -6.033 143 1HD2 LEU 22 1HD2 LEU 22 -8.912 0.147 -3.627 144 2HD2 LEU 22 2HD2 LEU 22 -9.211 0.116 -5.366 145 3HD2 LEU 22 3HD2 LEU 22 -9.953 1.365 -4.363 146 H GLY 23 H GLY 23 -11.816 2.697 -0.578 147 1HA GLY 23 1HA GLY 23 -13.687 3.220 0.791 148 2HA GLY 23 2HA GLY 23 -14.150 1.534 0.756 149 H ASN 24 H ASN 24 -11.137 0.889 1.612 150 HA ASN 24 HA ASN 24 -11.722 1.499 4.436 151 1HB ASN 24 1HB ASN 24 -10.254 -0.847 3.245 152 2HB ASN 24 2HB ASN 24 -10.540 -0.583 4.962 153 1HD2 ASN 24 1HD2 ASN 24 -13.312 -2.296 2.674 154 2HD2 ASN 24 2HD2 ASN 24 -11.698 -1.974 2.163 155 H LYS 25 H LYS 25 -10.267 2.464 5.699 156 HA LYS 25 HA LYS 25 -7.888 3.582 4.585 157 1HB LYS 25 1HB LYS 25 -8.754 3.514 7.470 158 2HB LYS 25 2HB LYS 25 -7.796 4.718 6.655 159 1HG LYS 25 1HG LYS 25 -9.606 5.714 5.641 160 2HG LYS 25 2HG LYS 25 -10.597 4.256 5.780 161 1HD LYS 25 1HD LYS 25 -9.730 6.019 8.075 162 2HD LYS 25 2HD LYS 25 -11.328 6.027 7.325 163 1HE LYS 25 1HE LYS 25 -11.627 3.677 7.980 164 2HE LYS 25 2HE LYS 25 -10.038 3.693 8.749 165 1HZ LYS 25 1HZ LYS 25 -12.063 5.674 9.552 166 2HZ LYS 25 2HZ LYS 25 -12.160 4.089 10.147 167 3HZ LYS 25 3HZ LYS 25 -10.772 5.018 10.450 168 H TYR 26 H TYR 26 -5.882 2.618 4.652 169 HA TYR 26 HA TYR 26 -5.589 0.337 6.474 170 1HB TYR 26 1HB TYR 26 -4.111 0.928 3.917 171 2HB TYR 26 2HB TYR 26 -3.910 -0.498 4.922 172 HD1 TYR 26 1HD TYR 26 -7.007 -0.699 5.495 173 HD2 TYR 26 2HD TYR 26 -4.678 -0.341 1.962 174 HE1 TYR 26 1HE TYR 26 -8.739 -1.879 4.226 175 HE2 TYR 26 2HE TYR 26 -6.403 -1.513 0.694 176 HH TYR 26 HH TYR 26 -9.224 -1.775 1.251 177 H GLU 27 H GLU 27 -4.395 0.608 8.103 178 HA GLU 27 HA GLU 27 -2.468 2.769 8.316 179 1HB GLU 27 1HB GLU 27 -3.392 0.712 10.325 180 2HB GLU 27 2HB GLU 27 -2.410 2.110 10.674 181 1HG GLU 27 1HG GLU 27 -4.151 3.592 10.414 182 2HG GLU 27 2HG GLU 27 -5.088 2.467 9.433 183 H SER 28 H SER 28 -2.618 -0.547 7.688 184 HA SER 28 HA SER 28 0.299 -0.777 7.833 185 1HB SER 28 1HB SER 28 -0.293 -3.280 8.251 186 2HB SER 28 2HB SER 28 -0.424 -2.163 9.608 187 HG SER 28 HG SER 28 -2.285 -3.494 9.422 188 H CYS 29 H CYS 29 0.764 -2.987 6.419 189 HA CYS 29 HA CYS 29 -0.017 -2.245 3.798 190 1HB CYS 29 1HB CYS 29 1.342 -4.723 4.829 191 2HB CYS 29 2HB CYS 29 1.086 -4.396 3.126 192 H THR 30 H THR 30 -0.929 -3.968 2.292 193 HA THR 30 HA THR 30 -3.039 -5.551 3.558 194 HB THR 30 HB THR 30 -3.988 -3.258 3.134 195 HG1 THR 30 1HG THR 30 -5.545 -4.732 3.075 196 1HG2 THR 30 1HG2 THR 30 -4.537 -3.215 0.469 197 2HG2 THR 30 2HG2 THR 30 -3.295 -2.249 1.268 198 3HG2 THR 30 3HG2 THR 30 -2.865 -3.771 0.489 199 H SER 31 H SER 31 -4.313 -6.678 1.779 200 HA SER 31 HA SER 31 -2.579 -7.361 -0.483 201 1HB SER 31 1HB SER 31 -3.510 -9.720 -0.242 202 2HB SER 31 2HB SER 31 -2.379 -9.204 1.020 203 HG SER 31 HG SER 31 -5.084 -9.813 1.182 204 H ALA 32 H ALA 32 -4.858 -5.563 0.168 205 HA ALA 32 HA ALA 32 -7.271 -6.372 -0.970 206 1HB ALA 32 1HB ALA 32 -6.519 -4.204 0.391 207 2HB ALA 32 2HB ALA 32 -6.436 -3.526 -1.236 208 3HB ALA 32 3HB ALA 32 -7.951 -4.204 -0.639 209 H GLY 33 H GLY 33 -8.070 -6.448 -2.978 210 1HA GLY 33 1HA GLY 33 -8.184 -6.252 -5.277 211 2HA GLY 33 2HA GLY 33 -6.867 -5.093 -5.197 212 H ARG 34 H ARG 34 -5.606 -7.524 -3.549 213 HA ARG 34 HA ARG 34 -4.453 -8.744 -5.958 214 1HB ARG 34 1HB ARG 34 -3.279 -8.481 -3.183 215 2HB ARG 34 2HB ARG 34 -2.504 -9.254 -4.544 216 1HG ARG 34 1HG ARG 34 -2.887 -6.877 -5.640 217 2HG ARG 34 2HG ARG 34 -2.874 -6.380 -3.951 218 1HD ARG 34 1HD ARG 34 -0.635 -6.302 -5.003 219 2HD ARG 34 2HD ARG 34 -0.711 -7.391 -3.615 220 HE ARG 34 HE ARG 34 -0.213 -9.138 -4.998 221 1HH1 ARG 34 1HH1 ARG 34 -1.345 -6.473 -6.965 222 2HH1 ARG 34 2HH1 ARG 34 -0.970 -7.255 -8.467 223 1HH2 ARG 34 1HH2 ARG 34 0.233 -10.188 -6.975 224 2HH2 ARG 34 2HH2 ARG 34 -0.108 -9.381 -8.475 225 H SER 35 H SER 35 -4.006 -9.932 -2.747 226 HA SER 35 HA SER 35 -4.463 -11.868 -1.690 227 1HB SER 35 1HB SER 35 -6.894 -11.130 -2.358 228 2HB SER 35 2HB SER 35 -6.771 -12.448 -3.523 229 HG SER 35 HG SER 35 -7.177 -13.766 -1.941 230 H ASP 36 H ASP 36 -2.684 -11.707 -3.903 231 HA ASP 36 HA ASP 36 -2.959 -14.326 -5.168 232 1HB ASP 36 1HB ASP 36 -1.742 -13.505 -6.943 233 2HB ASP 36 2HB ASP 36 -2.498 -12.033 -6.377 234 H GLY 37 H GLY 37 -1.058 -12.392 -3.097 235 1HA GLY 37 1HA GLY 37 0.099 -14.213 -1.511 236 2HA GLY 37 2HA GLY 37 1.134 -14.276 -2.931 237 H LYS 38 H LYS 38 1.323 -11.655 -3.690 238 HA LYS 38 HA LYS 38 3.083 -10.624 -1.674 239 1HB LYS 38 1HB LYS 38 2.215 -9.041 -4.051 240 2HB LYS 38 2HB LYS 38 3.792 -9.108 -3.275 241 1HG LYS 38 1HG LYS 38 2.637 -11.364 -4.874 242 2HG LYS 38 2HG LYS 38 3.648 -10.115 -5.549 243 1HD LYS 38 1HD LYS 38 5.346 -10.739 -3.738 244 2HD LYS 38 2HD LYS 38 4.377 -12.199 -3.520 245 1HE LYS 38 1HE LYS 38 5.779 -11.297 -6.040 246 2HE LYS 38 2HE LYS 38 6.198 -12.672 -5.023 247 1HZ LYS 38 1HZ LYS 38 3.755 -13.384 -5.584 248 2HZ LYS 38 2HZ LYS 38 3.977 -12.374 -6.924 249 3HZ LYS 38 3HZ LYS 38 5.021 -13.687 -6.678 250 H MET 39 H MET 39 2.527 -9.230 -0.085 251 HA MET 39 HA MET 39 -0.034 -7.849 -0.279 252 1HB MET 39 1HB MET 39 1.975 -8.059 1.978 253 2HB MET 39 2HB MET 39 0.480 -7.137 2.058 254 1HG MET 39 1HG MET 39 -0.827 -9.145 1.795 255 2HG MET 39 2HG MET 39 0.629 -10.105 1.573 256 1HE MET 39 1HE MET 39 2.434 -10.242 3.090 257 2HE MET 39 2HE MET 39 2.577 -9.074 4.405 258 3HE MET 39 3HE MET 39 2.129 -10.745 4.750 259 H TRP 40 H TRP 40 -0.139 -5.558 -0.274 260 HA TRP 40 HA TRP 40 2.425 -4.239 -0.876 261 1HB TRP 40 1HB TRP 40 1.254 -2.933 -2.622 262 2HB TRP 40 2HB TRP 40 1.246 -4.664 -2.968 263 HD1 TRP 40 HD1 TRP 40 -1.218 -5.929 -2.186 264 HE1 TRP 40 1HE TRP 40 -3.600 -4.984 -2.378 265 HE3 TRP 40 3HE TRP 40 -0.093 -0.993 -2.746 266 HZ2 TRP 40 2HZ TRP 40 -4.832 -2.479 -2.689 267 HZ3 TRP 40 3HZ TRP 40 -1.924 0.617 -2.962 268 HH2 TRP 40 HH2 TRP 40 -4.247 -0.114 -2.943 269 H CYS 41 H CYS 41 1.563 -1.739 -1.336 270 HA CYS 41 HA CYS 41 -0.116 -0.704 0.771 271 1HB CYS 41 1HB CYS 41 1.707 0.695 1.736 272 2HB CYS 41 2HB CYS 41 1.952 -1.022 2.039 273 H ALA 42 H ALA 42 -0.796 1.429 0.229 274 HA ALA 42 HA ALA 42 -0.174 2.178 -2.488 275 1HB ALA 42 1HB ALA 42 -1.859 3.624 -0.449 276 2HB ALA 42 2HB ALA 42 -1.702 4.059 -2.152 277 3HB ALA 42 3HB ALA 42 -2.444 2.524 -1.701 278 H THR 43 H THR 43 0.761 4.139 -3.142 279 HA THR 43 HA THR 43 2.691 5.131 -1.178 280 HB THR 43 HB THR 43 4.049 5.767 -3.107 281 HG1 THR 43 1HG THR 43 2.923 6.182 -4.843 282 1HG2 THR 43 1HG2 THR 43 3.682 3.246 -4.216 283 2HG2 THR 43 2HG2 THR 43 4.813 3.694 -2.937 284 3HG2 THR 43 3HG2 THR 43 3.210 3.085 -2.525 285 H THR 44 H THR 44 -0.203 5.860 -1.858 286 HA THR 44 HA THR 44 0.185 8.755 -1.687 287 HB THR 44 HB THR 44 -1.928 9.020 -3.049 288 HG1 THR 44 1HG THR 44 -2.941 7.269 -3.523 289 1HG2 THR 44 1HG2 THR 44 0.270 7.692 -4.610 290 2HG2 THR 44 2HG2 THR 44 -0.934 8.837 -5.207 291 3HG2 THR 44 3HG2 THR 44 0.305 9.371 -4.067 292 H ALA 45 H ALA 45 -1.409 9.790 -0.376 293 HA ALA 45 HA ALA 45 -2.302 8.360 1.842 294 1HB ALA 45 1HB ALA 45 -3.088 11.028 0.725 295 2HB ALA 45 2HB ALA 45 -3.835 10.385 2.185 296 3HB ALA 45 3HB ALA 45 -2.094 10.661 2.137 297 H ASN 46 H ASN 46 -3.989 9.126 -1.151 298 HA ASN 46 HA ASN 46 -6.118 7.289 -0.299 299 1HB ASN 46 1HB ASN 46 -6.900 9.681 -0.358 300 2HB ASN 46 2HB ASN 46 -6.557 9.694 -2.086 301 1HD2 ASN 46 1HD2 ASN 46 -9.965 8.195 -0.669 302 2HD2 ASN 46 2HD2 ASN 46 -8.803 9.016 0.299 303 H TYR 47 H TYR 47 -5.868 5.520 -1.416 304 HA TYR 47 HA TYR 47 -4.448 5.433 -3.897 305 1HB TYR 47 1HB TYR 47 -4.410 3.621 -2.164 306 2HB TYR 47 2HB TYR 47 -6.065 3.232 -2.611 307 HD1 TYR 47 1HD TYR 47 -2.572 3.144 -3.654 308 HD2 TYR 47 2HD TYR 47 -6.555 2.122 -4.706 309 HE1 TYR 47 1HE TYR 47 -1.720 1.657 -5.404 310 HE2 TYR 47 2HE TYR 47 -5.710 0.618 -6.459 311 HH TYR 47 HH TYR 47 -3.140 -0.683 -6.703 312 H ASP 48 H ASP 48 -7.847 5.309 -2.984 313 HA ASP 48 HA ASP 48 -8.953 4.296 -5.294 314 1HB ASP 48 1HB ASP 48 -9.945 6.178 -3.209 315 2HB ASP 48 2HB ASP 48 -10.916 5.917 -4.656 316 H ASP 49 H ASP 49 -7.710 7.530 -4.766 317 HA ASP 49 HA ASP 49 -8.855 8.497 -7.246 318 1HB ASP 49 1HB ASP 49 -7.154 9.790 -5.128 319 2HB ASP 49 2HB ASP 49 -7.569 10.598 -6.629 320 H ASP 50 H ASP 50 -5.501 8.337 -5.958 321 HA ASP 50 HA ASP 50 -4.467 8.737 -8.629 322 1HB ASP 50 1HB ASP 50 -3.328 8.785 -5.900 323 2HB ASP 50 2HB ASP 50 -2.226 8.414 -7.223 324 H ARG 51 H ARG 51 -5.045 5.987 -6.665 325 HA ARG 51 HA ARG 51 -4.410 3.829 -6.755 326 1HB ARG 51 1HB ARG 51 -4.628 4.425 -9.684 327 2HB ARG 51 2HB ARG 51 -4.732 2.828 -8.943 328 1HG ARG 51 1HG ARG 51 -6.531 4.308 -7.510 329 2HG ARG 51 2HG ARG 51 -6.742 4.912 -9.159 330 1HD ARG 51 1HD ARG 51 -6.811 2.041 -8.285 331 2HD ARG 51 2HD ARG 51 -8.215 3.038 -8.673 332 HE ARG 51 HE ARG 51 -6.541 3.107 -10.890 333 1HH1 ARG 51 1HH1 ARG 51 -8.301 0.677 -9.098 334 2HH1 ARG 51 2HH1 ARG 51 -8.607 -0.311 -10.495 335 1HH2 ARG 51 1HH2 ARG 51 -6.870 1.801 -12.698 336 2HH2 ARG 51 2HH2 ARG 51 -7.788 0.329 -12.551 337 H LYS 52 H LYS 52 -2.152 5.110 -6.190 338 HA LYS 52 HA LYS 52 -0.172 3.848 -7.935 339 1HB LYS 52 1HB LYS 52 0.103 6.240 -6.103 340 2HB LYS 52 2HB LYS 52 1.487 5.410 -6.803 341 1HG LYS 52 1HG LYS 52 0.835 5.982 -9.000 342 2HG LYS 52 2HG LYS 52 -0.739 6.555 -8.458 343 1HD LYS 52 1HD LYS 52 0.400 8.351 -7.185 344 2HD LYS 52 2HD LYS 52 1.945 7.788 -7.834 345 1HE LYS 52 1HE LYS 52 1.058 9.707 -9.086 346 2HE LYS 52 2HE LYS 52 1.217 8.264 -10.090 347 1HZ LYS 52 1HZ LYS 52 -1.317 9.225 -8.858 348 2HZ LYS 52 2HZ LYS 52 -0.883 9.418 -10.487 349 3HZ LYS 52 3HZ LYS 52 -1.147 7.865 -9.861 350 H TRP 53 H TRP 53 0.587 2.040 -7.197 351 HA TRP 53 HA TRP 53 0.665 1.644 -4.289 352 1HB TRP 53 1HB TRP 53 -0.062 -0.618 -4.627 353 2HB TRP 53 2HB TRP 53 -1.182 0.453 -5.377 354 HD1 TRP 53 HD1 TRP 53 -0.700 0.740 -8.225 355 HE1 TRP 53 1HE TRP 53 -0.140 -1.193 -9.851 356 HE3 TRP 53 3HE TRP 53 0.880 -2.583 -4.823 357 HZ2 TRP 53 2HZ TRP 53 0.862 -3.855 -9.654 358 HZ3 TRP 53 3HZ TRP 53 1.631 -4.839 -5.561 359 HH2 TRP 53 HH2 TRP 53 1.616 -5.449 -7.937 360 H GLY 54 H GLY 54 1.851 -0.329 -3.693 361 1HA GLY 54 1HA GLY 54 4.097 -1.227 -5.207 362 2HA GLY 54 2HA GLY 54 4.565 -0.067 -3.963 363 H PHE 55 H PHE 55 4.818 -3.124 -4.335 364 HA PHE 55 HA PHE 55 3.330 -4.441 -2.411 365 1HB PHE 55 1HB PHE 55 6.098 -4.919 -3.493 366 2HB PHE 55 2HB PHE 55 5.348 -5.999 -2.339 367 HD1 PHE 55 1HD PHE 55 2.519 -5.742 -3.499 368 HD2 PHE 55 2HD PHE 55 6.311 -6.465 -5.283 369 HE1 PHE 55 1HE PHE 55 1.428 -7.062 -5.274 370 HE2 PHE 55 2HE PHE 55 5.235 -7.770 -7.068 371 HZ PHE 55 HZ PHE 55 2.787 -8.060 -7.075 372 H CYS 56 H CYS 56 3.876 -5.139 -0.309 373 HA CYS 56 HA CYS 56 4.843 -3.082 1.399 374 1HB CYS 56 1HB CYS 56 3.090 -4.908 1.884 375 2HB CYS 56 2HB CYS 56 4.459 -5.979 2.154 376 HA PRO 57 HA PRO 57 9.137 -4.198 1.460 377 1HB PRO 57 1HB PRO 57 9.991 -3.012 3.667 378 2HB PRO 57 2HB PRO 57 9.376 -2.044 2.313 379 1HG PRO 57 1HG PRO 57 7.908 -3.051 4.699 380 2HG PRO 57 2HG PRO 57 8.042 -1.358 4.169 381 1HD PRO 57 1HD PRO 57 5.889 -2.811 3.520 382 2HD PRO 57 2HD PRO 57 6.633 -1.732 2.314 383 H ASP 58 H ASP 58 10.618 -4.624 3.771 384 HA ASP 58 HA ASP 58 11.337 -6.271 5.145 385 1HB ASP 58 1HB ASP 58 9.366 -5.548 6.446 386 2HB ASP 58 2HB ASP 58 8.391 -6.713 5.576 387 H GLN 59 H GLN 59 10.277 -6.706 2.319 388 HA GLN 59 HA GLN 59 10.840 -9.559 2.180 389 1HB GLN 59 1HB GLN 59 8.448 -8.327 0.790 390 2HB GLN 59 2HB GLN 59 8.970 -9.997 0.671 391 1HG GLN 59 1HG GLN 59 8.472 -10.291 3.054 392 2HG GLN 59 2HG GLN 59 7.897 -8.625 3.122 393 1HE2 GLN 59 1HE2 GLN 59 4.708 -9.507 2.193 394 2HE2 GLN 59 2HE2 GLN 59 5.790 -8.462 3.043 395 H GLY 60 H GLY 60 10.580 -9.974 -0.487 396 1HA GLY 60 1HA GLY 60 11.056 -8.885 -2.616 397 2HA GLY 60 2HA GLY 60 12.081 -7.758 -1.736 Start of MODEL 30 1 H SER 1 1H SER 1 13.539 2.978 10.429 2 HA SER 1 HA SER 1 15.107 4.629 9.385 3 1HB SER 1 1HB SER 1 16.150 3.584 7.296 4 2HB SER 1 2HB SER 1 16.928 3.208 8.834 5 HG SER 1 HG SER 1 16.358 1.431 7.200 6 H TRP 2 H TRP 2 14.287 5.646 7.510 7 HA TRP 2 HA TRP 2 11.585 4.866 6.870 8 1HB TRP 2 1HB TRP 2 12.531 7.271 7.108 9 2HB TRP 2 2HB TRP 2 13.149 7.031 5.475 10 HD1 TRP 2 HD1 TRP 2 11.135 6.386 3.594 11 HE1 TRP 2 1HE TRP 2 8.779 7.399 3.406 12 HE3 TRP 2 3HE TRP 2 10.689 8.256 8.310 13 HZ2 TRP 2 2HZ TRP 2 6.952 8.785 5.050 14 HZ3 TRP 2 3HZ TRP 2 8.608 9.399 8.936 15 HH2 TRP 2 HH2 TRP 2 6.774 9.661 7.338 16 H MET 3 H MET 3 11.283 3.218 5.499 17 HA MET 3 HA MET 3 13.216 2.756 3.359 18 1HB MET 3 1HB MET 3 10.934 0.994 4.253 19 2HB MET 3 2HB MET 3 12.269 0.548 3.204 20 1HG MET 3 1HG MET 3 13.833 0.846 5.052 21 2HG MET 3 2HG MET 3 12.493 1.298 6.106 22 1HE MET 3 1HE MET 3 13.987 -1.398 3.820 23 2HE MET 3 2HE MET 3 13.146 -2.877 4.283 24 3HE MET 3 3HE MET 3 12.301 -1.640 3.352 25 H SER 4 H SER 4 12.195 1.663 1.386 26 HA SER 4 HA SER 4 10.056 3.407 0.364 27 1HB SER 4 1HB SER 4 12.205 1.912 -1.160 28 2HB SER 4 2HB SER 4 10.988 2.977 -1.867 29 HG SER 4 HG SER 4 12.137 4.644 -1.303 30 H THR 5 H THR 5 9.589 1.806 -1.956 31 HA THR 5 HA THR 5 8.107 -0.371 -0.677 32 HB THR 5 HB THR 5 6.816 -0.237 -2.923 33 HG1 THR 5 1HG THR 5 7.829 1.144 -4.178 34 1HG2 THR 5 1HG2 THR 5 6.235 2.277 -1.622 35 2HG2 THR 5 2HG2 THR 5 5.225 0.843 -1.826 36 3HG2 THR 5 3HG2 THR 5 6.371 0.935 -0.486 37 H VAL 6 H VAL 6 7.532 -2.149 -2.191 38 HA VAL 6 HA VAL 6 9.602 -2.974 -4.045 39 HB VAL 6 HB VAL 6 10.372 -4.339 -2.381 40 1HG1 VAL 6 1HG1 VAL 6 7.685 -4.050 -1.099 41 2HG1 VAL 6 2HG1 VAL 6 8.904 -5.163 -0.482 42 3HG1 VAL 6 3HG1 VAL 6 9.239 -3.431 -0.533 43 1HG2 VAL 6 1HG2 VAL 6 7.999 -5.719 -3.477 44 2HG2 VAL 6 2HG2 VAL 6 9.709 -6.139 -3.607 45 3HG2 VAL 6 3HG2 VAL 6 8.832 -6.449 -2.108 46 H GLY 7 H GLY 7 8.529 -4.715 -5.497 47 1HA GLY 7 1HA GLY 7 6.612 -5.413 -6.668 48 2HA GLY 7 2HA GLY 7 5.736 -5.163 -5.182 49 H GLY 8 H GLY 8 3.978 -4.301 -6.421 50 1HA GLY 8 1HA GLY 8 2.780 -2.633 -7.499 51 2HA GLY 8 2HA GLY 8 3.555 -1.657 -6.281 52 H ASN 9 H ASN 9 3.792 0.191 -7.403 53 HA ASN 9 HA ASN 9 5.809 0.144 -9.505 54 1HB ASN 9 1HB ASN 9 4.314 2.053 -10.602 55 2HB ASN 9 2HB ASN 9 4.060 0.367 -11.006 56 1HD2 ASN 9 1HD2 ASN 9 1.039 2.469 -9.601 57 2HD2 ASN 9 2HD2 ASN 9 2.510 3.128 -10.217 58 H SER 10 H SER 10 3.884 2.892 -8.885 59 HA SER 10 HA SER 10 4.477 5.014 -8.319 60 1HB SER 10 1HB SER 10 5.053 3.648 -5.723 61 2HB SER 10 2HB SER 10 4.299 5.210 -6.000 62 HG SER 10 HG SER 10 3.196 2.690 -6.038 63 H GLY 11 H GLY 11 6.890 3.699 -9.412 64 1HA GLY 11 1HA GLY 11 9.137 4.155 -9.594 65 2HA GLY 11 2HA GLY 11 8.823 5.608 -8.658 66 H GLY 12 H GLY 12 8.990 5.540 -6.412 67 1HA GLY 12 1HA GLY 12 9.882 3.170 -5.048 68 2HA GLY 12 2HA GLY 12 11.150 4.374 -5.269 69 H ALA 13 H ALA 13 7.793 5.198 -4.913 70 HA ALA 13 HA ALA 13 8.336 6.955 -2.731 71 1HB ALA 13 1HB ALA 13 5.984 6.249 -4.379 72 2HB ALA 13 2HB ALA 13 5.667 6.914 -2.774 73 3HB ALA 13 3HB ALA 13 6.626 7.831 -3.935 74 HA PRO 14 HA PRO 14 7.560 4.184 0.628 75 1HB PRO 14 1HB PRO 14 6.907 6.389 2.363 76 2HB PRO 14 2HB PRO 14 8.413 5.471 2.280 77 1HG PRO 14 1HG PRO 14 8.137 8.120 1.540 78 2HG PRO 14 2HG PRO 14 9.431 7.040 0.990 79 1HD PRO 14 1HD PRO 14 6.954 7.916 -0.436 80 2HD PRO 14 2HD PRO 14 8.573 7.569 -1.076 81 H CYS 15 H CYS 15 5.850 3.294 1.803 82 HA CYS 15 HA CYS 15 3.231 3.887 0.817 83 1HB CYS 15 1HB CYS 15 4.150 2.052 3.053 84 2HB CYS 15 2HB CYS 15 2.487 2.172 2.494 85 H VAL 16 H VAL 16 1.711 5.200 1.648 86 HA VAL 16 HA VAL 16 2.334 6.618 4.137 87 HB VAL 16 HB VAL 16 0.307 7.290 1.987 88 1HG1 VAL 16 1HG1 VAL 16 0.827 8.401 4.656 89 2HG1 VAL 16 2HG1 VAL 16 0.733 9.590 3.358 90 3HG1 VAL 16 3HG1 VAL 16 -0.618 8.489 3.650 91 1HG2 VAL 16 1HG2 VAL 16 3.088 7.643 2.011 92 2HG2 VAL 16 2HG2 VAL 16 1.919 8.326 0.880 93 3HG2 VAL 16 3HG2 VAL 16 2.378 9.227 2.323 94 H PHE 17 H PHE 17 1.182 6.279 5.945 95 HA PHE 17 HA PHE 17 -1.370 4.860 5.681 96 1HB PHE 17 1HB PHE 17 0.672 4.655 7.896 97 2HB PHE 17 2HB PHE 17 -0.907 3.900 7.910 98 HD1 PHE 17 1HD PHE 17 -1.406 2.013 6.422 99 HD2 PHE 17 2HD PHE 17 2.458 3.769 6.611 100 HE1 PHE 17 1HE PHE 17 -0.461 0.036 5.323 101 HE2 PHE 17 2HE PHE 17 3.420 1.801 5.499 102 HZ PHE 17 HZ PHE 17 1.971 -0.098 4.843 103 HA PRO 18 HA PRO 18 -2.940 4.309 6.867 104 1HB PRO 18 1HB PRO 18 -5.555 5.375 7.128 105 2HB PRO 18 2HB PRO 18 -4.704 4.349 8.280 106 1HG PRO 18 1HG PRO 18 -5.419 7.018 8.693 107 2HG PRO 18 2HG PRO 18 -4.232 6.106 9.638 108 1HD PRO 18 1HD PRO 18 -3.802 8.064 7.434 109 2HD PRO 18 2HD PRO 18 -2.816 7.754 8.878 110 H PHE 19 H PHE 19 -3.340 3.674 4.816 111 HA PHE 19 HA PHE 19 -4.199 5.759 2.932 112 1HB PHE 19 1HB PHE 19 -3.319 4.417 1.145 113 2HB PHE 19 2HB PHE 19 -2.083 4.588 2.382 114 HD1 PHE 19 1HD PHE 19 -4.343 2.274 0.675 115 HD2 PHE 19 2HD PHE 19 -1.348 2.678 3.668 116 HE1 PHE 19 1HE PHE 19 -4.029 -0.160 0.675 117 HE2 PHE 19 2HE PHE 19 -1.036 0.236 3.681 118 HZ PHE 19 HZ PHE 19 -2.369 -1.183 2.178 119 H THR 20 H THR 20 -6.112 5.653 1.974 120 HA THR 20 HA THR 20 -7.872 3.549 2.929 121 HB THR 20 HB THR 20 -8.710 5.896 1.227 122 HG1 THR 20 1HG THR 20 -8.162 7.222 2.737 123 1HG2 THR 20 1HG2 THR 20 -10.465 5.614 3.322 124 2HG2 THR 20 2HG2 THR 20 -10.713 5.054 1.668 125 3HG2 THR 20 3HG2 THR 20 -10.073 3.949 2.889 126 H PHE 21 H PHE 21 -8.482 1.892 1.828 127 HA PHE 21 HA PHE 21 -8.502 2.017 -1.117 128 1HB PHE 21 1HB PHE 21 -6.667 0.537 0.017 129 2HB PHE 21 2HB PHE 21 -8.008 -0.525 0.391 130 HD1 PHE 21 1HD PHE 21 -8.581 1.198 -2.685 131 HD2 PHE 21 2HD PHE 21 -6.578 -2.130 -0.957 132 HE1 PHE 21 1HE PHE 21 -8.441 0.120 -4.880 133 HE2 PHE 21 2HE PHE 21 -6.434 -3.204 -3.143 134 HZ PHE 21 HZ PHE 21 -7.356 -2.067 -5.131 135 H LEU 22 H LEU 22 -10.296 0.988 -2.028 136 HA LEU 22 HA LEU 22 -12.511 0.676 -2.183 137 1HB LEU 22 1HB LEU 22 -11.439 -1.458 -0.449 138 2HB LEU 22 2HB LEU 22 -12.988 -1.593 -1.265 139 HG LEU 22 HG LEU 22 -11.814 -2.513 -2.943 140 1HD1 LEU 22 1HD1 LEU 22 -11.207 0.258 -3.263 141 2HD1 LEU 22 2HD1 LEU 22 -10.083 -0.838 -4.071 142 3HD1 LEU 22 3HD1 LEU 22 -11.810 -0.921 -4.425 143 1HD2 LEU 22 1HD2 LEU 22 -9.798 -2.154 -1.051 144 2HD2 LEU 22 2HD2 LEU 22 -10.015 -3.436 -2.242 145 3HD2 LEU 22 3HD2 LEU 22 -9.156 -1.960 -2.682 146 H GLY 23 H GLY 23 -11.983 2.584 -0.084 147 1HA GLY 23 1HA GLY 23 -13.504 3.724 1.274 148 2HA GLY 23 2HA GLY 23 -14.487 2.276 1.358 149 H ASN 24 H ASN 24 -11.482 1.153 2.175 150 HA ASN 24 HA ASN 24 -12.061 1.601 5.028 151 1HB ASN 24 1HB ASN 24 -10.454 -0.586 3.697 152 2HB ASN 24 2HB ASN 24 -10.874 -0.505 5.397 153 1HD2 ASN 24 1HD2 ASN 24 -13.266 -2.321 2.852 154 2HD2 ASN 24 2HD2 ASN 24 -11.619 -1.895 2.562 155 H LYS 25 H LYS 25 -10.537 2.410 6.387 156 HA LYS 25 HA LYS 25 -8.226 3.675 5.274 157 1HB LYS 25 1HB LYS 25 -9.158 3.380 8.138 158 2HB LYS 25 2HB LYS 25 -7.955 4.493 7.550 159 1HG LYS 25 1HG LYS 25 -10.814 4.535 6.654 160 2HG LYS 25 2HG LYS 25 -10.175 5.526 7.969 161 1HD LYS 25 1HD LYS 25 -9.087 5.565 5.155 162 2HD LYS 25 2HD LYS 25 -10.340 6.667 5.736 163 1HE LYS 25 1HE LYS 25 -8.848 7.625 7.339 164 2HE LYS 25 2HE LYS 25 -7.628 6.387 7.040 165 1HZ LYS 25 1HZ LYS 25 -7.590 7.280 4.683 166 2HZ LYS 25 2HZ LYS 25 -8.453 8.617 5.275 167 3HZ LYS 25 3HZ LYS 25 -6.903 8.270 5.882 168 H TYR 26 H TYR 26 -6.322 2.609 5.004 169 HA TYR 26 HA TYR 26 -5.881 0.203 6.609 170 1HB TYR 26 1HB TYR 26 -4.641 1.106 4.012 171 2HB TYR 26 2HB TYR 26 -4.194 -0.357 4.879 172 HD1 TYR 26 1HD TYR 26 -7.436 -0.363 5.633 173 HD2 TYR 26 2HD TYR 26 -5.027 -0.645 2.160 174 HE1 TYR 26 1HE TYR 26 -9.213 -1.609 4.510 175 HE2 TYR 26 2HE TYR 26 -6.793 -1.897 1.025 176 HH TYR 26 HH TYR 26 -8.953 -3.501 2.180 177 H GLU 27 H GLU 27 -4.819 0.553 8.330 178 HA GLU 27 HA GLU 27 -2.793 2.619 8.546 179 1HB GLU 27 1HB GLU 27 -3.937 0.691 10.554 180 2HB GLU 27 2HB GLU 27 -2.800 1.961 10.922 181 1HG GLU 27 1HG GLU 27 -4.383 3.654 10.353 182 2HG GLU 27 2HG GLU 27 -5.507 2.441 9.732 183 H SER 28 H SER 28 -3.037 -0.684 7.916 184 HA SER 28 HA SER 28 -0.140 -1.019 8.187 185 1HB SER 28 1HB SER 28 -0.818 -3.498 8.578 186 2HB SER 28 2HB SER 28 -0.946 -2.382 9.931 187 HG SER 28 HG SER 28 -3.077 -2.511 9.859 188 H CYS 29 H CYS 29 0.464 -3.095 6.749 189 HA CYS 29 HA CYS 29 -0.291 -2.446 4.116 190 1HB CYS 29 1HB CYS 29 0.987 -4.960 5.169 191 2HB CYS 29 2HB CYS 29 0.772 -4.610 3.474 192 H THR 30 H THR 30 -1.305 -3.950 2.609 193 HA THR 30 HA THR 30 -3.437 -5.573 3.806 194 HB THR 30 HB THR 30 -4.329 -3.251 3.308 195 HG1 THR 30 1HG THR 30 -5.827 -4.874 3.209 196 1HG2 THR 30 1HG2 THR 30 -4.744 -3.159 0.649 197 2HG2 THR 30 2HG2 THR 30 -3.438 -2.311 1.476 198 3HG2 THR 30 3HG2 THR 30 -3.126 -3.861 0.695 199 H SER 31 H SER 31 -4.712 -6.526 1.851 200 HA SER 31 HA SER 31 -2.892 -7.309 -0.293 201 1HB SER 31 1HB SER 31 -3.947 -9.648 -0.038 202 2HB SER 31 2HB SER 31 -2.712 -9.167 1.139 203 HG SER 31 HG SER 31 -4.203 -8.989 2.676 204 H ALA 32 H ALA 32 -5.272 -5.558 0.364 205 HA ALA 32 HA ALA 32 -7.591 -6.428 -0.929 206 1HB ALA 32 1HB ALA 32 -6.581 -3.979 0.215 207 2HB ALA 32 2HB ALA 32 -7.421 -3.640 -1.297 208 3HB ALA 32 3HB ALA 32 -8.255 -4.491 0.003 209 H GLY 33 H GLY 33 -8.314 -6.350 -2.994 210 1HA GLY 33 1HA GLY 33 -8.297 -5.998 -5.278 211 2HA GLY 33 2HA GLY 33 -6.954 -4.887 -5.053 212 H ARG 34 H ARG 34 -5.911 -7.517 -3.495 213 HA ARG 34 HA ARG 34 -4.632 -8.587 -5.907 214 1HB ARG 34 1HB ARG 34 -3.664 -8.548 -3.049 215 2HB ARG 34 2HB ARG 34 -2.847 -9.363 -4.362 216 1HG ARG 34 1HG ARG 34 -2.951 -6.962 -5.447 217 2HG ARG 34 2HG ARG 34 -3.049 -6.473 -3.763 218 1HD ARG 34 1HD ARG 34 -0.721 -6.541 -4.632 219 2HD ARG 34 2HD ARG 34 -0.982 -7.609 -3.251 220 HE ARG 34 HE ARG 34 -0.518 -9.409 -4.579 221 1HH1 ARG 34 1HH1 ARG 34 -1.159 -6.659 -6.638 222 2HH1 ARG 34 2HH1 ARG 34 -0.697 -7.471 -8.100 223 1HH2 ARG 34 1HH2 ARG 34 0.020 -10.514 -6.509 224 2HH2 ARG 34 2HH2 ARG 34 -0.027 -9.665 -8.028 225 H SER 35 H SER 35 -5.005 -9.872 -2.633 226 HA SER 35 HA SER 35 -5.725 -11.871 -1.828 227 1HB SER 35 1HB SER 35 -7.479 -11.942 -4.300 228 2HB SER 35 2HB SER 35 -7.703 -12.890 -2.827 229 HG SER 35 HG SER 35 -8.694 -10.527 -3.338 230 H ASP 36 H ASP 36 -3.380 -11.822 -3.374 231 HA ASP 36 HA ASP 36 -3.438 -14.428 -4.718 232 1HB ASP 36 1HB ASP 36 -1.773 -13.642 -6.161 233 2HB ASP 36 2HB ASP 36 -2.866 -12.292 -5.982 234 H GLY 37 H GLY 37 -1.896 -12.407 -2.435 235 1HA GLY 37 1HA GLY 37 -1.045 -13.929 -0.485 236 2HA GLY 37 2HA GLY 37 0.068 -14.483 -1.726 237 H LYS 38 H LYS 38 0.482 -11.997 -3.006 238 HA LYS 38 HA LYS 38 2.502 -10.880 -1.326 239 1HB LYS 38 1HB LYS 38 1.389 -9.868 -3.954 240 2HB LYS 38 2HB LYS 38 2.937 -9.439 -3.234 241 1HG LYS 38 1HG LYS 38 3.840 -11.528 -3.615 242 2HG LYS 38 2HG LYS 38 2.274 -12.270 -3.895 243 1HD LYS 38 1HD LYS 38 2.117 -10.775 -5.948 244 2HD LYS 38 2HD LYS 38 3.831 -10.429 -5.692 245 1HE LYS 38 1HE LYS 38 3.506 -12.235 -7.309 246 2HE LYS 38 2HE LYS 38 4.353 -12.796 -5.867 247 1HZ LYS 38 1HZ LYS 38 1.442 -13.057 -5.843 248 2HZ LYS 38 2HZ LYS 38 2.268 -14.080 -6.917 249 3HZ LYS 38 3HZ LYS 38 2.625 -14.121 -5.261 250 H MET 39 H MET 39 1.983 -9.558 0.337 251 HA MET 39 HA MET 39 -0.387 -7.898 0.183 252 1HB MET 39 1HB MET 39 1.677 -8.146 2.388 253 2HB MET 39 2HB MET 39 0.141 -7.295 2.483 254 1HG MET 39 1HG MET 39 -1.039 -9.415 2.104 255 2HG MET 39 2HG MET 39 0.510 -10.251 2.110 256 1HE MET 39 1HE MET 39 -2.011 -10.947 3.882 257 2HE MET 39 2HE MET 39 -0.530 -11.886 4.064 258 3HE MET 39 3HE MET 39 -1.334 -11.220 5.486 259 H TRP 40 H TRP 40 -0.384 -5.651 0.232 260 HA TRP 40 HA TRP 40 2.207 -4.352 -0.288 261 1HB TRP 40 1HB TRP 40 1.158 -3.060 -2.110 262 2HB TRP 40 2HB TRP 40 1.159 -4.787 -2.457 263 HD1 TRP 40 HD1 TRP 40 -1.346 -6.040 -1.915 264 HE1 TRP 40 1HE TRP 40 -3.702 -5.091 -2.274 265 HE3 TRP 40 3HE TRP 40 -0.191 -1.082 -2.208 266 HZ2 TRP 40 2HZ TRP 40 -4.904 -2.583 -2.600 267 HZ3 TRP 40 3HZ TRP 40 -2.011 0.531 -2.511 268 HH2 TRP 40 HH2 TRP 40 -4.327 -0.210 -2.713 269 H CYS 41 H CYS 41 1.428 -1.847 -0.758 270 HA CYS 41 HA CYS 41 -0.524 -0.865 1.090 271 1HB CYS 41 1HB CYS 41 1.255 0.585 2.275 272 2HB CYS 41 2HB CYS 41 1.068 -1.083 2.793 273 H ALA 42 H ALA 42 -1.053 1.317 0.619 274 HA ALA 42 HA ALA 42 -0.193 2.162 -1.995 275 1HB ALA 42 1HB ALA 42 -2.530 2.445 -0.937 276 2HB ALA 42 2HB ALA 42 -1.834 3.873 -0.168 277 3HB ALA 42 3HB ALA 42 -1.882 3.751 -1.928 278 H THR 43 H THR 43 0.808 4.120 -2.517 279 HA THR 43 HA THR 43 2.693 4.998 -0.463 280 HB THR 43 HB THR 43 4.017 5.837 -2.305 281 HG1 THR 43 1HG THR 43 1.767 6.152 -3.529 282 1HG2 THR 43 1HG2 THR 43 3.419 3.486 -3.777 283 2HG2 THR 43 2HG2 THR 43 4.758 3.781 -2.666 284 3HG2 THR 43 3HG2 THR 43 3.235 3.128 -2.060 285 H THR 44 H THR 44 -0.249 5.799 -1.175 286 HA THR 44 HA THR 44 0.156 8.662 -0.691 287 HB THR 44 HB THR 44 -1.950 9.019 -2.082 288 HG1 THR 44 1HG THR 44 -2.861 7.306 -2.848 289 1HG2 THR 44 1HG2 THR 44 -0.271 8.064 -4.178 290 2HG2 THR 44 2HG2 THR 44 -0.610 9.722 -3.685 291 3HG2 THR 44 3HG2 THR 44 0.718 8.834 -2.936 292 H ALA 45 H ALA 45 -1.627 9.644 0.494 293 HA ALA 45 HA ALA 45 -2.577 8.017 2.589 294 1HB ALA 45 1HB ALA 45 -3.308 10.794 1.709 295 2HB ALA 45 2HB ALA 45 -4.049 10.018 3.110 296 3HB ALA 45 3HB ALA 45 -2.309 10.297 3.077 297 H ASN 46 H ASN 46 -3.945 8.847 -0.501 298 HA ASN 46 HA ASN 46 -6.264 7.165 0.148 299 1HB ASN 46 1HB ASN 46 -6.896 9.600 -0.084 300 2HB ASN 46 2HB ASN 46 -6.355 9.517 -1.762 301 1HD2 ASN 46 1HD2 ASN 46 -9.969 8.235 -0.694 302 2HD2 ASN 46 2HD2 ASN 46 -8.871 8.988 0.399 303 H TYR 47 H TYR 47 -6.082 5.349 -0.957 304 HA TYR 47 HA TYR 47 -4.506 5.297 -3.394 305 1HB TYR 47 1HB TYR 47 -4.203 3.549 -1.669 306 2HB TYR 47 2HB TYR 47 -5.862 3.019 -1.952 307 HD1 TYR 47 1HD TYR 47 -2.490 3.226 -3.411 308 HD2 TYR 47 2HD TYR 47 -6.433 1.708 -3.892 309 HE1 TYR 47 1HE TYR 47 -1.707 1.800 -5.250 310 HE2 TYR 47 2HE TYR 47 -5.653 0.284 -5.732 311 HH TYR 47 HH TYR 47 -3.645 0.474 -7.465 312 H ASP 48 H ASP 48 -7.843 5.106 -2.423 313 HA ASP 48 HA ASP 48 -9.013 3.899 -4.597 314 1HB ASP 48 1HB ASP 48 -9.958 6.116 -2.803 315 2HB ASP 48 2HB ASP 48 -10.969 5.505 -4.107 316 H ASP 49 H ASP 49 -7.915 7.228 -4.265 317 HA ASP 49 HA ASP 49 -8.856 7.888 -6.934 318 1HB ASP 49 1HB ASP 49 -7.631 9.486 -4.695 319 2HB ASP 49 2HB ASP 49 -7.899 10.166 -6.298 320 H ASP 50 H ASP 50 -5.779 8.397 -5.228 321 HA ASP 50 HA ASP 50 -4.277 8.912 -7.538 322 1HB ASP 50 1HB ASP 50 -3.405 8.060 -4.777 323 2HB ASP 50 2HB ASP 50 -2.295 8.599 -6.032 324 H ARG 51 H ARG 51 -5.042 5.865 -6.004 325 HA ARG 51 HA ARG 51 -4.353 3.745 -6.329 326 1HB ARG 51 1HB ARG 51 -4.609 4.647 -9.177 327 2HB ARG 51 2HB ARG 51 -4.737 2.991 -8.594 328 1HG ARG 51 1HG ARG 51 -6.500 4.212 -6.985 329 2HG ARG 51 2HG ARG 51 -6.661 5.202 -8.440 330 1HD ARG 51 1HD ARG 51 -6.629 2.261 -8.735 331 2HD ARG 51 2HD ARG 51 -8.062 2.998 -8.022 332 HE ARG 51 HE ARG 51 -8.644 3.822 -10.082 333 1HH1 ARG 51 1HH1 ARG 51 -5.362 2.611 -10.275 334 2HH1 ARG 51 2HH1 ARG 51 -5.172 3.034 -11.948 335 1HH2 ARG 51 1HH2 ARG 51 -8.394 4.332 -12.310 336 2HH2 ARG 51 2HH2 ARG 51 -6.879 3.980 -13.095 337 H LYS 52 H LYS 52 -2.091 4.952 -5.637 338 HA LYS 52 HA LYS 52 -0.113 3.800 -7.480 339 1HB LYS 52 1HB LYS 52 0.207 6.122 -5.550 340 2HB LYS 52 2HB LYS 52 1.551 5.352 -6.389 341 1HG LYS 52 1HG LYS 52 1.136 6.447 -8.293 342 2HG LYS 52 2HG LYS 52 -0.601 6.171 -8.182 343 1HD LYS 52 1HD LYS 52 -0.216 8.536 -8.106 344 2HD LYS 52 2HD LYS 52 -0.712 8.015 -6.495 345 1HE LYS 52 1HE LYS 52 1.105 9.561 -6.272 346 2HE LYS 52 2HE LYS 52 1.686 7.952 -5.851 347 1HZ LYS 52 1HZ LYS 52 2.658 7.770 -8.076 348 2HZ LYS 52 2HZ LYS 52 2.114 9.331 -8.452 349 3HZ LYS 52 3HZ LYS 52 3.279 9.107 -7.235 350 H TRP 53 H TRP 53 0.646 1.929 -6.718 351 HA TRP 53 HA TRP 53 0.712 1.587 -3.799 352 1HB TRP 53 1HB TRP 53 -0.105 -0.651 -4.075 353 2HB TRP 53 2HB TRP 53 -1.196 0.458 -4.825 354 HD1 TRP 53 HD1 TRP 53 -0.667 0.664 -7.714 355 HE1 TRP 53 1HE TRP 53 -0.279 -1.356 -9.277 356 HE3 TRP 53 3HE TRP 53 0.581 -2.699 -4.198 357 HZ2 TRP 53 2HZ TRP 53 0.482 -4.101 -8.988 358 HZ3 TRP 53 3HZ TRP 53 1.138 -5.028 -4.864 359 HH2 TRP 53 HH2 TRP 53 1.090 -5.709 -7.221 360 H GLY 54 H GLY 54 1.756 -0.512 -3.222 361 1HA GLY 54 1HA GLY 54 3.926 -1.571 -4.700 362 2HA GLY 54 2HA GLY 54 4.501 -0.398 -3.512 363 H PHE 55 H PHE 55 4.744 -3.382 -3.621 364 HA PHE 55 HA PHE 55 3.117 -4.643 -1.740 365 1HB PHE 55 1HB PHE 55 5.935 -5.108 -2.678 366 2HB PHE 55 2HB PHE 55 5.169 -6.155 -1.500 367 HD1 PHE 55 1HD PHE 55 2.432 -5.443 -3.245 368 HD2 PHE 55 2HD PHE 55 6.200 -7.315 -3.905 369 HE1 PHE 55 1HE PHE 55 1.439 -6.818 -5.028 370 HE2 PHE 55 2HE PHE 55 5.203 -8.687 -5.688 371 HZ PHE 55 HZ PHE 55 2.826 -8.416 -6.266 372 H CYS 56 H CYS 56 3.722 -5.403 0.406 373 HA CYS 56 HA CYS 56 4.483 -3.337 2.187 374 1HB CYS 56 1HB CYS 56 3.222 -5.704 2.550 375 2HB CYS 56 2HB CYS 56 4.853 -6.210 2.976 376 HA PRO 57 HA PRO 57 8.808 -3.598 1.294 377 1HB PRO 57 1HB PRO 57 9.883 -2.097 3.200 378 2HB PRO 57 2HB PRO 57 8.824 -1.397 1.960 379 1HG PRO 57 1HG PRO 57 8.111 -2.426 4.653 380 2HG PRO 57 2HG PRO 57 7.807 -0.786 4.034 381 1HD PRO 57 1HD PRO 57 5.865 -2.611 3.940 382 2HD PRO 57 2HD PRO 57 6.154 -1.579 2.517 383 H ASP 58 H ASP 58 10.864 -3.497 2.892 384 HA ASP 58 HA ASP 58 12.435 -5.011 3.555 385 1HB ASP 58 1HB ASP 58 11.615 -3.697 5.535 386 2HB ASP 58 2HB ASP 58 10.644 -5.101 5.957 387 H GLN 59 H GLN 59 11.451 -6.573 1.876 388 HA GLN 59 HA GLN 59 10.469 -9.001 3.218 389 1HB GLN 59 1HB GLN 59 10.483 -8.384 0.257 390 2HB GLN 59 2HB GLN 59 9.740 -9.775 1.025 391 1HG GLN 59 1HG GLN 59 8.236 -8.172 2.232 392 2HG GLN 59 2HG GLN 59 8.887 -6.904 1.196 393 1HE2 GLN 59 1HE2 GLN 59 5.805 -8.906 -0.098 394 2HE2 GLN 59 2HE2 GLN 59 6.267 -8.639 1.544 395 H GLY 60 H GLY 60 11.556 -10.954 2.957 396 1HA GLY 60 1HA GLY 60 14.313 -10.666 1.962 397 2HA GLY 60 2HA GLY 60 13.783 -11.847 3.152 Start of MODEL 31 1 H SER 1 1H SER 1 11.614 3.614 11.338 2 HA SER 1 HA SER 1 12.702 1.619 9.498 3 1HB SER 1 1HB SER 1 10.418 1.258 11.452 4 2HB SER 1 2HB SER 1 10.976 0.080 10.264 5 HG SER 1 HG SER 1 11.950 -0.507 12.137 6 H TRP 2 H TRP 2 12.239 3.118 7.819 7 HA TRP 2 HA TRP 2 9.392 3.770 7.478 8 1HB TRP 2 1HB TRP 2 11.864 5.032 6.278 9 2HB TRP 2 2HB TRP 2 10.231 5.411 5.738 10 HD1 TRP 2 HD1 TRP 2 12.354 5.608 8.981 11 HE1 TRP 2 1HE TRP 2 11.492 7.594 10.378 12 HE3 TRP 2 3HE TRP 2 8.426 7.017 6.033 13 HZ2 TRP 2 2HZ TRP 2 9.426 9.513 10.232 14 HZ3 TRP 2 3HZ TRP 2 7.053 8.936 6.733 15 HH2 TRP 2 HH2 TRP 2 7.546 10.156 8.791 16 H MET 3 H MET 3 8.336 2.450 6.232 17 HA MET 3 HA MET 3 9.568 0.493 4.643 18 1HB MET 3 1HB MET 3 7.247 -0.064 3.953 19 2HB MET 3 2HB MET 3 7.481 0.013 5.690 20 1HG MET 3 1HG MET 3 6.364 2.298 4.088 21 2HG MET 3 2HG MET 3 5.353 1.020 4.762 22 1HE MET 3 1HE MET 3 6.522 0.208 7.191 23 2HE MET 3 2HE MET 3 6.617 1.350 8.530 24 3HE MET 3 3HE MET 3 5.047 0.919 7.849 25 H SER 4 H SER 4 9.913 0.250 2.577 26 HA SER 4 HA SER 4 9.311 2.479 0.753 27 1HB SER 4 1HB SER 4 11.457 0.334 0.563 28 2HB SER 4 2HB SER 4 11.156 1.574 -0.657 29 HG SER 4 HG SER 4 12.461 1.755 1.758 30 H THR 5 H THR 5 9.398 1.235 -1.688 31 HA THR 5 HA THR 5 7.379 -0.865 -1.386 32 HB THR 5 HB THR 5 6.485 0.014 -3.573 33 HG1 THR 5 1HG THR 5 8.088 1.311 -4.282 34 1HG2 THR 5 1HG2 THR 5 5.421 2.040 -2.527 35 2HG2 THR 5 2HG2 THR 5 5.174 0.494 -1.717 36 3HG2 THR 5 3HG2 THR 5 6.351 1.644 -1.083 37 H VAL 6 H VAL 6 7.169 -2.388 -2.895 38 HA VAL 6 HA VAL 6 9.365 -2.878 -4.809 39 HB VAL 6 HB VAL 6 7.870 -5.243 -3.942 40 1HG1 VAL 6 1HG1 VAL 6 10.617 -4.492 -4.683 41 2HG1 VAL 6 2HG1 VAL 6 10.466 -5.858 -3.578 42 3HG1 VAL 6 3HG1 VAL 6 9.656 -5.898 -5.143 43 1HG2 VAL 6 1HG2 VAL 6 8.078 -3.913 -1.786 44 2HG2 VAL 6 2HG2 VAL 6 8.715 -5.558 -1.771 45 3HG2 VAL 6 3HG2 VAL 6 9.815 -4.185 -1.911 46 H GLY 7 H GLY 7 8.059 -4.996 -6.051 47 1HA GLY 7 1HA GLY 7 6.586 -5.160 -7.872 48 2HA GLY 7 2HA GLY 7 5.449 -5.085 -6.561 49 H GLY 8 H GLY 8 3.864 -3.824 -6.966 50 1HA GLY 8 1HA GLY 8 2.579 -2.170 -7.929 51 2HA GLY 8 2HA GLY 8 3.696 -1.192 -7.011 52 H ASN 9 H ASN 9 3.643 0.549 -8.322 53 HA ASN 9 HA ASN 9 5.140 0.301 -10.808 54 1HB ASN 9 1HB ASN 9 3.573 1.720 -12.069 55 2HB ASN 9 2HB ASN 9 2.853 0.194 -11.604 56 1HD2 ASN 9 1HD2 ASN 9 1.346 2.694 -8.972 57 2HD2 ASN 9 2HD2 ASN 9 2.889 1.929 -8.885 58 H SER 10 H SER 10 4.456 1.950 -7.954 59 HA SER 10 HA SER 10 5.244 4.577 -8.725 60 1HB SER 10 1HB SER 10 5.348 3.397 -5.943 61 2HB SER 10 2HB SER 10 5.155 5.086 -6.394 62 HG SER 10 HG SER 10 3.147 4.252 -5.848 63 H GLY 11 H GLY 11 6.933 1.684 -7.950 64 1HA GLY 11 1HA GLY 11 9.239 1.396 -8.422 65 2HA GLY 11 2HA GLY 11 9.469 3.125 -8.208 66 H GLY 12 H GLY 12 10.164 3.868 -6.301 67 1HA GLY 12 1HA GLY 12 10.125 1.986 -4.027 68 2HA GLY 12 2HA GLY 12 11.579 2.879 -4.445 69 H ALA 13 H ALA 13 8.240 4.048 -4.435 70 HA ALA 13 HA ALA 13 9.035 6.279 -2.767 71 1HB ALA 13 1HB ALA 13 7.520 6.526 -4.751 72 2HB ALA 13 2HB ALA 13 6.281 5.679 -3.826 73 3HB ALA 13 3HB ALA 13 6.906 7.226 -3.254 74 HA PRO 14 HA PRO 14 7.823 4.518 1.089 75 1HB PRO 14 1HB PRO 14 7.008 7.240 1.878 76 2HB PRO 14 2HB PRO 14 8.241 6.187 2.579 77 1HG PRO 14 1HG PRO 14 8.869 8.370 1.129 78 2HG PRO 14 2HG PRO 14 9.869 6.907 1.122 79 1HD PRO 14 1HD PRO 14 7.945 7.904 -0.937 80 2HD PRO 14 2HD PRO 14 9.491 7.053 -1.140 81 H CYS 15 H CYS 15 5.977 3.555 1.698 82 HA CYS 15 HA CYS 15 3.491 4.255 0.478 83 1HB CYS 15 1HB CYS 15 4.277 2.255 2.594 84 2HB CYS 15 2HB CYS 15 2.594 2.513 2.153 85 H VAL 16 H VAL 16 2.137 5.786 1.135 86 HA VAL 16 HA VAL 16 2.515 7.199 3.594 87 HB VAL 16 HB VAL 16 0.324 7.448 1.527 88 1HG1 VAL 16 1HG1 VAL 16 1.122 9.233 3.815 89 2HG1 VAL 16 2HG1 VAL 16 0.059 9.730 2.501 90 3HG1 VAL 16 3HG1 VAL 16 -0.423 8.416 3.577 91 1HG2 VAL 16 1HG2 VAL 16 3.087 8.204 1.487 92 2HG2 VAL 16 2HG2 VAL 16 1.857 8.405 0.237 93 3HG2 VAL 16 3HG2 VAL 16 2.075 9.648 1.470 94 H PHE 17 H PHE 17 1.776 6.549 5.493 95 HA PHE 17 HA PHE 17 -0.762 5.080 5.593 96 1HB PHE 17 1HB PHE 17 1.694 4.864 7.327 97 2HB PHE 17 2HB PHE 17 0.152 4.152 7.750 98 HD1 PHE 17 1HD PHE 17 -0.872 2.812 5.523 99 HD2 PHE 17 2HD PHE 17 3.198 3.372 6.594 100 HE1 PHE 17 1HE PHE 17 -0.265 0.786 4.275 101 HE2 PHE 17 2HE PHE 17 3.825 1.357 5.348 102 HZ PHE 17 HZ PHE 17 2.098 0.033 4.169 103 HA PRO 18 HA PRO 18 -2.176 4.485 6.869 104 1HB PRO 18 1HB PRO 18 -4.739 5.599 7.474 105 2HB PRO 18 2HB PRO 18 -3.826 4.419 8.414 106 1HG PRO 18 1HG PRO 18 -4.375 6.998 9.239 107 2HG PRO 18 2HG PRO 18 -3.050 6.001 9.860 108 1HD PRO 18 1HD PRO 18 -2.982 8.173 7.799 109 2HD PRO 18 2HD PRO 18 -1.809 7.792 9.079 110 H PHE 19 H PHE 19 -2.989 3.923 4.876 111 HA PHE 19 HA PHE 19 -3.942 6.177 3.236 112 1HB PHE 19 1HB PHE 19 -3.390 4.948 1.251 113 2HB PHE 19 2HB PHE 19 -1.989 4.944 2.304 114 HD1 PHE 19 1HD PHE 19 -1.382 2.851 3.520 115 HD2 PHE 19 2HD PHE 19 -4.403 2.950 0.525 116 HE1 PHE 19 1HE PHE 19 -1.191 0.410 3.239 117 HE2 PHE 19 2HE PHE 19 -4.219 0.517 0.241 118 HZ PHE 19 HZ PHE 19 -2.607 -0.759 1.597 119 H THR 20 H THR 20 -5.421 4.948 1.336 120 HA THR 20 HA THR 20 -7.402 3.341 2.772 121 HB THR 20 HB THR 20 -8.026 5.895 1.240 122 HG1 THR 20 1HG THR 20 -7.270 6.331 3.329 123 1HG2 THR 20 1HG2 THR 20 -10.288 5.290 2.595 124 2HG2 THR 20 2HG2 THR 20 -10.009 4.952 0.887 125 3HG2 THR 20 3HG2 THR 20 -9.737 3.691 2.090 126 H PHE 21 H PHE 21 -7.956 1.654 1.588 127 HA PHE 21 HA PHE 21 -7.754 1.892 -1.345 128 1HB PHE 21 1HB PHE 21 -6.020 0.350 -0.285 129 2HB PHE 21 2HB PHE 21 -7.363 -0.651 0.230 130 HD1 PHE 21 1HD PHE 21 -5.903 0.839 -2.847 131 HD2 PHE 21 2HD PHE 21 -8.187 -2.330 -1.166 132 HE1 PHE 21 1HE PHE 21 -5.803 -0.348 -4.978 133 HE2 PHE 21 2HE PHE 21 -8.083 -3.529 -3.297 134 HZ PHE 21 HZ PHE 21 -6.894 -2.544 -5.222 135 H LEU 22 H LEU 22 -9.445 1.304 -2.432 136 HA LEU 22 HA LEU 22 -11.653 1.076 -2.808 137 1HB LEU 22 1HB LEU 22 -10.239 -1.390 -2.062 138 2HB LEU 22 2HB LEU 22 -11.919 -1.505 -2.554 139 HG LEU 22 HG LEU 22 -10.276 -1.879 -4.391 140 1HD1 LEU 22 1HD1 LEU 22 -12.236 0.338 -4.443 141 2HD1 LEU 22 2HD1 LEU 22 -11.345 -0.142 -5.891 142 3HD1 LEU 22 3HD1 LEU 22 -12.383 -1.305 -5.076 143 1HD2 LEU 22 1HD2 LEU 22 -8.631 -0.200 -3.650 144 2HD2 LEU 22 2HD2 LEU 22 -9.086 -0.055 -5.347 145 3HD2 LEU 22 3HD2 LEU 22 -9.757 1.060 -4.157 146 H GLY 23 H GLY 23 -11.670 2.289 -0.455 147 1HA GLY 23 1HA GLY 23 -13.534 2.751 0.924 148 2HA GLY 23 2HA GLY 23 -14.029 1.079 0.780 149 H ASN 24 H ASN 24 -10.931 0.575 1.646 150 HA ASN 24 HA ASN 24 -11.673 0.707 4.493 151 1HB ASN 24 1HB ASN 24 -9.649 -1.086 3.158 152 2HB ASN 24 2HB ASN 24 -10.195 -1.176 4.829 153 1HD2 ASN 24 1HD2 ASN 24 -12.079 -3.211 2.036 154 2HD2 ASN 24 2HD2 ASN 24 -10.508 -2.512 1.885 155 H LYS 25 H LYS 25 -10.035 1.178 6.070 156 HA LYS 25 HA LYS 25 -8.059 3.089 5.144 157 1HB LYS 25 1HB LYS 25 -8.849 2.374 7.971 158 2HB LYS 25 2HB LYS 25 -8.046 3.811 7.412 159 1HG LYS 25 1HG LYS 25 -10.896 3.085 6.806 160 2HG LYS 25 2HG LYS 25 -10.369 4.258 8.012 161 1HD LYS 25 1HD LYS 25 -9.367 5.627 6.259 162 2HD LYS 25 2HD LYS 25 -9.871 4.447 5.044 163 1HE LYS 25 1HE LYS 25 -11.689 6.052 6.839 164 2HE LYS 25 2HE LYS 25 -11.399 6.340 5.125 165 1HZ LYS 25 1HZ LYS 25 -12.240 3.647 5.701 166 2HZ LYS 25 2HZ LYS 25 -13.385 4.812 6.148 167 3HZ LYS 25 3HZ LYS 25 -12.821 4.745 4.543 168 H TYR 26 H TYR 26 -5.884 2.499 5.075 169 HA TYR 26 HA TYR 26 -5.168 0.044 6.519 170 1HB TYR 26 1HB TYR 26 -4.031 1.081 3.926 171 2HB TYR 26 2HB TYR 26 -3.548 -0.391 4.749 172 HD1 TYR 26 1HD TYR 26 -6.465 1.238 3.112 173 HD2 TYR 26 2HD TYR 26 -4.645 -2.389 4.347 174 HE1 TYR 26 1HE TYR 26 -8.194 -0.024 1.938 175 HE2 TYR 26 2HE TYR 26 -6.357 -3.661 3.162 176 HH TYR 26 HH TYR 26 -8.204 -2.621 0.884 177 H GLU 27 H GLU 27 -3.771 0.244 8.025 178 HA GLU 27 HA GLU 27 -2.072 2.625 8.179 179 1HB GLU 27 1HB GLU 27 -3.008 0.603 10.185 180 2HB GLU 27 2HB GLU 27 -1.687 1.684 10.530 181 1HG GLU 27 1HG GLU 27 -3.243 3.589 10.028 182 2HG GLU 27 2HG GLU 27 -4.541 2.395 9.974 183 H SER 28 H SER 28 -2.057 -0.689 7.517 184 HA SER 28 HA SER 28 0.871 -0.717 7.514 185 1HB SER 28 1HB SER 28 0.558 -3.227 7.964 186 2HB SER 28 2HB SER 28 0.310 -2.141 9.327 187 HG SER 28 HG SER 28 -1.496 -3.732 7.953 188 H CYS 29 H CYS 29 1.334 -3.022 6.152 189 HA CYS 29 HA CYS 29 0.496 -2.347 3.525 190 1HB CYS 29 1HB CYS 29 1.832 -4.860 4.540 191 2HB CYS 29 2HB CYS 29 1.625 -4.446 2.852 192 H THR 30 H THR 30 -0.515 -4.020 2.088 193 HA THR 30 HA THR 30 -2.554 -5.636 3.421 194 HB THR 30 HB THR 30 -3.567 -3.364 3.038 195 HG1 THR 30 1HG THR 30 -5.041 -4.931 2.987 196 1HG2 THR 30 1HG2 THR 30 -3.278 -3.990 0.105 197 2HG2 THR 30 2HG2 THR 30 -3.987 -2.553 0.841 198 3HG2 THR 30 3HG2 THR 30 -2.254 -2.848 0.970 199 H SER 31 H SER 31 -3.835 -6.845 1.731 200 HA SER 31 HA SER 31 -2.169 -7.439 -0.616 201 1HB SER 31 1HB SER 31 -2.938 -9.807 -0.425 202 2HB SER 31 2HB SER 31 -1.929 -9.289 0.935 203 HG SER 31 HG SER 31 -3.581 -9.481 2.257 204 H ALA 32 H ALA 32 -4.472 -5.715 0.146 205 HA ALA 32 HA ALA 32 -6.885 -6.560 -0.958 206 1HB ALA 32 1HB ALA 32 -6.009 -4.315 0.336 207 2HB ALA 32 2HB ALA 32 -6.260 -3.705 -1.300 208 3HB ALA 32 3HB ALA 32 -7.591 -4.471 -0.432 209 H GLY 33 H GLY 33 -7.690 -6.694 -2.962 210 1HA GLY 33 1HA GLY 33 -7.866 -6.406 -5.250 211 2HA GLY 33 2HA GLY 33 -6.541 -5.255 -5.173 212 H ARG 34 H ARG 34 -5.355 -7.803 -3.586 213 HA ARG 34 HA ARG 34 -4.230 -8.993 -6.035 214 1HB ARG 34 1HB ARG 34 -2.994 -8.772 -3.281 215 2HB ARG 34 2HB ARG 34 -2.244 -9.482 -4.691 216 1HG ARG 34 1HG ARG 34 -2.700 -7.071 -5.692 217 2HG ARG 34 2HG ARG 34 -2.646 -6.636 -3.991 218 1HD ARG 34 1HD ARG 34 -0.442 -6.468 -5.117 219 2HD ARG 34 2HD ARG 34 -0.452 -7.582 -3.748 220 HE ARG 34 HE ARG 34 0.047 -9.287 -5.175 221 1HH1 ARG 34 1HH1 ARG 34 -1.155 -6.600 -7.041 222 2HH1 ARG 34 2HH1 ARG 34 -0.873 -7.363 -8.574 223 1HH2 ARG 34 1HH2 ARG 34 0.394 -10.314 -7.189 224 2HH2 ARG 34 2HH2 ARG 34 0.011 -9.460 -8.650 225 H SER 35 H SER 35 -4.781 -9.725 -2.629 226 HA SER 35 HA SER 35 -5.320 -11.573 -1.475 227 1HB SER 35 1HB SER 35 -7.162 -12.974 -2.369 228 2HB SER 35 2HB SER 35 -7.505 -11.246 -2.463 229 HG SER 35 HG SER 35 -6.359 -11.841 -4.728 230 H ASP 36 H ASP 36 -2.940 -11.747 -3.176 231 HA ASP 36 HA ASP 36 -2.850 -14.638 -3.656 232 1HB ASP 36 1HB ASP 36 -0.624 -13.905 -4.856 233 2HB ASP 36 2HB ASP 36 -2.166 -13.766 -5.676 234 H GLY 37 H GLY 37 -0.122 -12.556 -3.186 235 1HA GLY 37 1HA GLY 37 0.329 -13.359 -0.491 236 2HA GLY 37 2HA GLY 37 1.413 -14.146 -1.622 237 H LYS 38 H LYS 38 1.163 -11.621 -3.321 238 HA LYS 38 HA LYS 38 3.469 -10.289 -2.240 239 1HB LYS 38 1HB LYS 38 1.768 -9.540 -4.629 240 2HB LYS 38 2HB LYS 38 3.394 -8.975 -4.279 241 1HG LYS 38 1HG LYS 38 4.298 -11.130 -4.614 242 2HG LYS 38 2HG LYS 38 2.699 -11.842 -4.765 243 1HD LYS 38 1HD LYS 38 2.308 -10.611 -6.808 244 2HD LYS 38 2HD LYS 38 3.871 -9.798 -6.648 245 1HE LYS 38 1HE LYS 38 4.972 -12.013 -6.778 246 2HE LYS 38 2HE LYS 38 3.398 -12.752 -7.057 247 1HZ LYS 38 1HZ LYS 38 3.695 -10.667 -8.907 248 2HZ LYS 38 2HZ LYS 38 5.131 -11.585 -8.929 249 3HZ LYS 38 3HZ LYS 38 3.636 -12.344 -9.198 250 H MET 39 H MET 39 2.359 -9.581 -0.210 251 HA MET 39 HA MET 39 0.244 -7.720 -0.301 252 1HB MET 39 1HB MET 39 2.318 -8.207 1.851 253 2HB MET 39 2HB MET 39 0.894 -7.191 2.037 254 1HG MET 39 1HG MET 39 -0.543 -9.123 1.587 255 2HG MET 39 2HG MET 39 0.889 -10.142 1.451 256 1HE MET 39 1HE MET 39 2.457 -10.613 3.055 257 2HE MET 39 2HE MET 39 2.718 -9.472 4.375 258 3HE MET 39 3HE MET 39 1.991 -11.046 4.700 259 H TRP 40 H TRP 40 0.188 -5.594 -0.525 260 HA TRP 40 HA TRP 40 2.719 -4.152 -0.969 261 1HB TRP 40 1HB TRP 40 1.511 -2.888 -2.738 262 2HB TRP 40 2HB TRP 40 1.582 -4.614 -3.098 263 HD1 TRP 40 HD1 TRP 40 -0.842 -5.992 -2.356 264 HE1 TRP 40 1HE TRP 40 -3.256 -5.159 -2.579 265 HE3 TRP 40 3HE TRP 40 0.058 -0.997 -2.872 266 HZ2 TRP 40 2HZ TRP 40 -4.601 -2.726 -2.912 267 HZ3 TRP 40 3HZ TRP 40 -1.856 0.518 -3.122 268 HH2 TRP 40 HH2 TRP 40 -4.137 -0.335 -3.149 269 H CYS 41 H CYS 41 1.535 -1.668 -1.459 270 HA CYS 41 HA CYS 41 -0.348 -0.854 0.474 271 1HB CYS 41 1HB CYS 41 1.263 0.665 1.764 272 2HB CYS 41 2HB CYS 41 1.239 -1.039 2.193 273 H ALA 42 H ALA 42 -0.812 1.467 0.305 274 HA ALA 42 HA ALA 42 -0.271 2.419 -2.357 275 1HB ALA 42 1HB ALA 42 -2.433 2.687 -0.934 276 2HB ALA 42 2HB ALA 42 -1.604 4.101 -0.284 277 3HB ALA 42 3HB ALA 42 -1.925 3.986 -2.015 278 H THR 43 H THR 43 0.778 4.292 -2.945 279 HA THR 43 HA THR 43 2.772 5.182 -1.001 280 HB THR 43 HB THR 43 4.056 5.922 -2.955 281 HG1 THR 43 1HG THR 43 2.977 6.326 -4.706 282 1HG2 THR 43 1HG2 THR 43 3.724 3.479 -4.178 283 2HG2 THR 43 2HG2 THR 43 4.816 3.837 -2.842 284 3HG2 THR 43 3HG2 THR 43 3.207 3.189 -2.517 285 H THR 44 H THR 44 -0.163 5.988 -1.760 286 HA THR 44 HA THR 44 0.298 8.866 -1.443 287 HB THR 44 HB THR 44 -1.776 9.258 -2.777 288 HG1 THR 44 1HG THR 44 -2.958 7.625 -3.308 289 1HG2 THR 44 1HG2 THR 44 -0.282 7.725 -4.750 290 2HG2 THR 44 2HG2 THR 44 -0.649 9.448 -4.683 291 3HG2 THR 44 3HG2 THR 44 0.724 8.802 -3.784 292 H ALA 45 H ALA 45 -1.471 9.948 -0.273 293 HA ALA 45 HA ALA 45 -2.245 8.538 2.038 294 1HB ALA 45 1HB ALA 45 -2.886 11.202 0.884 295 2HB ALA 45 2HB ALA 45 -3.890 10.593 2.201 296 3HB ALA 45 3HB ALA 45 -2.151 10.787 2.434 297 H ASN 46 H ASN 46 -4.036 9.393 -0.890 298 HA ASN 46 HA ASN 46 -6.106 7.485 -0.037 299 1HB ASN 46 1HB ASN 46 -6.983 9.799 -0.098 300 2HB ASN 46 2HB ASN 46 -6.493 9.928 -1.786 301 1HD2 ASN 46 1HD2 ASN 46 -10.016 8.392 -0.796 302 2HD2 ASN 46 2HD2 ASN 46 -8.962 9.204 0.302 303 H TYR 47 H TYR 47 -5.643 5.682 -1.117 304 HA TYR 47 HA TYR 47 -4.326 5.670 -3.634 305 1HB TYR 47 1HB TYR 47 -4.113 3.820 -1.994 306 2HB TYR 47 2HB TYR 47 -5.795 3.398 -2.290 307 HD1 TYR 47 1HD TYR 47 -6.455 2.571 -4.600 308 HD2 TYR 47 2HD TYR 47 -2.400 3.075 -3.426 309 HE1 TYR 47 1HE TYR 47 -5.731 1.133 -6.467 310 HE2 TYR 47 2HE TYR 47 -1.680 1.636 -5.280 311 HH TYR 47 HH TYR 47 -3.730 -0.341 -6.980 312 H ASP 48 H ASP 48 -7.682 5.302 -2.628 313 HA ASP 48 HA ASP 48 -8.903 4.343 -4.859 314 1HB ASP 48 1HB ASP 48 -9.793 6.487 -2.952 315 2HB ASP 48 2HB ASP 48 -10.835 5.891 -4.236 316 H ASP 49 H ASP 49 -7.710 7.629 -4.426 317 HA ASP 49 HA ASP 49 -8.777 8.446 -6.997 318 1HB ASP 49 1HB ASP 49 -7.401 9.870 -4.756 319 2HB ASP 49 2HB ASP 49 -7.500 10.620 -6.341 320 H ASP 50 H ASP 50 -5.520 8.707 -5.537 321 HA ASP 50 HA ASP 50 -4.287 9.124 -8.075 322 1HB ASP 50 1HB ASP 50 -3.152 8.682 -5.322 323 2HB ASP 50 2HB ASP 50 -2.140 8.948 -6.736 324 H ARG 51 H ARG 51 -5.016 6.243 -6.374 325 HA ARG 51 HA ARG 51 -4.222 4.125 -6.439 326 1HB ARG 51 1HB ARG 51 -4.819 4.843 -9.266 327 2HB ARG 51 2HB ARG 51 -4.607 3.185 -8.704 328 1HG ARG 51 1HG ARG 51 -6.387 3.533 -7.080 329 2HG ARG 51 2HG ARG 51 -6.616 5.170 -7.693 330 1HD ARG 51 1HD ARG 51 -6.836 2.678 -9.310 331 2HD ARG 51 2HD ARG 51 -8.197 3.533 -8.576 332 HE ARG 51 HE ARG 51 -6.707 5.337 -10.143 333 1HH1 ARG 51 1HH1 ARG 51 -8.847 2.597 -10.521 334 2HH1 ARG 51 2HH1 ARG 51 -9.406 3.093 -12.089 335 1HH2 ARG 51 1HH2 ARG 51 -7.418 5.981 -12.193 336 2HH2 ARG 51 2HH2 ARG 51 -8.566 5.007 -13.056 337 H LYS 52 H LYS 52 -1.955 5.203 -5.927 338 HA LYS 52 HA LYS 52 -0.119 4.006 -7.868 339 1HB LYS 52 1HB LYS 52 0.242 6.423 -6.106 340 2HB LYS 52 2HB LYS 52 1.635 5.539 -6.728 341 1HG LYS 52 1HG LYS 52 1.042 5.996 -8.977 342 2HG LYS 52 2HG LYS 52 -0.544 6.608 -8.503 343 1HD LYS 52 1HD LYS 52 0.540 8.505 -7.379 344 2HD LYS 52 2HD LYS 52 2.123 7.878 -7.854 345 1HE LYS 52 1HE LYS 52 1.526 8.099 -10.202 346 2HE LYS 52 2HE LYS 52 -0.073 8.688 -9.758 347 1HZ LYS 52 1HZ LYS 52 1.038 10.580 -8.642 348 2HZ LYS 52 2HZ LYS 52 2.523 10.034 -9.268 349 3HZ LYS 52 3HZ LYS 52 1.293 10.535 -10.325 350 H TRP 53 H TRP 53 0.611 2.157 -7.198 351 HA TRP 53 HA TRP 53 0.793 1.691 -4.305 352 1HB TRP 53 1HB TRP 53 -0.024 -0.525 -4.684 353 2HB TRP 53 2HB TRP 53 -1.121 0.607 -5.366 354 HD1 TRP 53 HD1 TRP 53 -0.586 0.968 -8.259 355 HE1 TRP 53 1HE TRP 53 -0.192 -0.969 -9.923 356 HE3 TRP 53 3HE TRP 53 0.613 -2.573 -4.908 357 HZ2 TRP 53 2HZ TRP 53 0.540 -3.739 -9.765 358 HZ3 TRP 53 3HZ TRP 53 1.145 -4.868 -5.681 359 HH2 TRP 53 HH2 TRP 53 1.113 -5.436 -8.066 360 H GLY 54 H GLY 54 1.985 -0.233 -3.731 361 1HA GLY 54 1HA GLY 54 4.111 -1.225 -5.357 362 2HA GLY 54 2HA GLY 54 4.679 -0.048 -4.176 363 H PHE 55 H PHE 55 5.108 -3.002 -4.376 364 HA PHE 55 HA PHE 55 3.654 -4.380 -2.428 365 1HB PHE 55 1HB PHE 55 6.413 -4.767 -3.558 366 2HB PHE 55 2HB PHE 55 5.719 -5.865 -2.384 367 HD1 PHE 55 1HD PHE 55 2.988 -4.862 -4.171 368 HD2 PHE 55 2HD PHE 55 6.538 -7.158 -4.648 369 HE1 PHE 55 1HE PHE 55 1.906 -6.166 -5.957 370 HE2 PHE 55 2HE PHE 55 5.459 -8.474 -6.428 371 HZ PHE 55 HZ PHE 55 3.135 -7.953 -7.099 372 H CYS 56 H CYS 56 4.502 -5.260 -0.431 373 HA CYS 56 HA CYS 56 5.389 -3.197 1.351 374 1HB CYS 56 1HB CYS 56 3.703 -5.148 1.755 375 2HB CYS 56 2HB CYS 56 5.144 -6.118 2.036 376 HA PRO 57 HA PRO 57 9.740 -4.094 1.040 377 1HB PRO 57 1HB PRO 57 10.630 -2.898 3.233 378 2HB PRO 57 2HB PRO 57 9.953 -1.964 1.888 379 1HG PRO 57 1HG PRO 57 8.572 -2.971 4.333 380 2HG PRO 57 2HG PRO 57 8.650 -1.292 3.761 381 1HD PRO 57 1HD PRO 57 6.522 -2.785 3.212 382 2HD PRO 57 2HD PRO 57 7.223 -1.749 1.946 383 H ASP 58 H ASP 58 11.254 -4.273 3.491 384 HA ASP 58 HA ASP 58 11.380 -7.043 3.820 385 1HB ASP 58 1HB ASP 58 13.140 -5.294 4.452 386 2HB ASP 58 2HB ASP 58 12.230 -5.071 5.942 387 H GLN 59 H GLN 59 9.815 -8.290 4.594 388 HA GLN 59 HA GLN 59 8.092 -7.267 6.749 389 1HB GLN 59 1HB GLN 59 7.617 -9.521 4.793 390 2HB GLN 59 2HB GLN 59 6.463 -8.936 5.980 391 1HG GLN 59 1HG GLN 59 6.243 -6.867 4.853 392 2HG GLN 59 2HG GLN 59 7.608 -7.226 3.799 393 1HE2 GLN 59 1HE2 GLN 59 5.615 -8.596 1.369 394 2HE2 GLN 59 2HE2 GLN 59 7.063 -7.777 1.837 395 H GLY 60 H GLY 60 7.009 -9.886 7.287 396 1HA GLY 60 1HA GLY 60 9.241 -11.399 8.415 397 2HA GLY 60 2HA GLY 60 8.075 -10.716 9.545 Start of MODEL 32 1 H SER 1 1H SER 1 16.841 0.781 7.322 2 HA SER 1 HA SER 1 14.542 -0.373 8.485 3 1HB SER 1 1HB SER 1 14.615 1.820 9.712 4 2HB SER 1 2HB SER 1 14.621 2.648 8.157 5 HG SER 1 HG SER 1 12.536 2.482 8.168 6 H TRP 2 H TRP 2 12.791 -0.215 6.874 7 HA TRP 2 HA TRP 2 13.917 -0.321 4.211 8 1HB TRP 2 1HB TRP 2 12.234 -1.990 5.144 9 2HB TRP 2 2HB TRP 2 11.016 -0.728 4.968 10 HD1 TRP 2 HD1 TRP 2 10.703 0.207 2.339 11 HE1 TRP 2 1HE TRP 2 10.782 -1.135 0.147 12 HE3 TRP 2 3HE TRP 2 13.190 -3.945 4.007 13 HZ2 TRP 2 2HZ TRP 2 11.733 -3.627 -0.754 14 HZ3 TRP 2 3HZ TRP 2 13.641 -5.767 2.409 15 HH2 TRP 2 HH2 TRP 2 12.927 -5.606 0.079 16 H MET 3 H MET 3 13.772 1.187 2.680 17 HA MET 3 HA MET 3 12.392 3.679 3.296 18 1HB MET 3 1HB MET 3 14.371 3.021 1.127 19 2HB MET 3 2HB MET 3 13.729 4.619 1.479 20 1HG MET 3 1HG MET 3 14.714 4.381 3.784 21 2HG MET 3 2HG MET 3 15.539 2.944 3.180 22 1HE MET 3 1HE MET 3 14.823 6.585 2.839 23 2HE MET 3 2HE MET 3 16.266 7.308 2.128 24 3HE MET 3 3HE MET 3 15.071 6.524 1.095 25 H SER 4 H SER 4 12.886 3.651 0.175 26 HA SER 4 HA SER 4 10.318 3.977 -0.706 27 1HB SER 4 1HB SER 4 12.538 2.801 -2.389 28 2HB SER 4 2HB SER 4 11.154 3.745 -2.951 29 HG SER 4 HG SER 4 13.440 4.725 -2.431 30 H THR 5 H THR 5 8.929 2.695 -2.061 31 HA THR 5 HA THR 5 8.417 0.151 -0.957 32 HB THR 5 HB THR 5 6.684 0.070 -2.839 33 HG1 THR 5 1HG THR 5 7.047 2.811 -3.129 34 1HG2 THR 5 1HG2 THR 5 5.562 2.274 -1.791 35 2HG2 THR 5 2HG2 THR 5 5.580 0.699 -0.995 36 3HG2 THR 5 3HG2 THR 5 6.775 1.919 -0.560 37 H VAL 6 H VAL 6 7.731 -1.627 -2.467 38 HA VAL 6 HA VAL 6 9.702 -2.253 -4.529 39 HB VAL 6 HB VAL 6 10.593 -3.639 -2.928 40 1HG1 VAL 6 1HG1 VAL 6 8.000 -3.286 -1.558 41 2HG1 VAL 6 2HG1 VAL 6 8.918 -4.738 -1.172 42 3HG1 VAL 6 3HG1 VAL 6 9.642 -3.148 -0.925 43 1HG2 VAL 6 1HG2 VAL 6 8.217 -5.158 -3.883 44 2HG2 VAL 6 2HG2 VAL 6 9.903 -5.318 -4.376 45 3HG2 VAL 6 3HG2 VAL 6 9.390 -5.878 -2.782 46 H GLY 7 H GLY 7 8.649 -4.040 -5.969 47 1HA GLY 7 1HA GLY 7 6.731 -4.809 -7.092 48 2HA GLY 7 2HA GLY 7 5.880 -4.573 -5.589 49 H GLY 8 H GLY 8 4.058 -3.669 -6.481 50 1HA GLY 8 1HA GLY 8 2.707 -2.060 -7.425 51 2HA GLY 8 2HA GLY 8 3.742 -0.987 -6.516 52 H ASN 9 H ASN 9 3.645 0.689 -7.916 53 HA ASN 9 HA ASN 9 5.271 0.369 -10.302 54 1HB ASN 9 1HB ASN 9 3.742 1.666 -11.724 55 2HB ASN 9 2HB ASN 9 3.040 0.150 -11.213 56 1HD2 ASN 9 1HD2 ASN 9 1.337 2.785 -8.833 57 2HD2 ASN 9 2HD2 ASN 9 2.911 2.109 -8.630 58 H SER 10 H SER 10 4.597 1.970 -7.519 59 HA SER 10 HA SER 10 5.603 4.560 -8.409 60 1HB SER 10 1HB SER 10 5.070 3.893 -5.543 61 2HB SER 10 2HB SER 10 4.835 5.407 -6.399 62 HG SER 10 HG SER 10 2.864 4.250 -5.853 63 H GLY 11 H GLY 11 7.497 2.731 -8.840 64 1HA GLY 11 1HA GLY 11 9.164 1.978 -6.729 65 2HA GLY 11 2HA GLY 11 9.681 2.187 -8.397 66 H GLY 12 H GLY 12 9.561 3.566 -5.238 67 1HA GLY 12 1HA GLY 12 11.668 5.007 -4.974 68 2HA GLY 12 2HA GLY 12 10.910 5.985 -6.224 69 H ALA 13 H ALA 13 8.221 5.167 -4.851 70 HA ALA 13 HA ALA 13 8.386 7.309 -2.830 71 1HB ALA 13 1HB ALA 13 6.819 7.652 -4.731 72 2HB ALA 13 2HB ALA 13 5.915 6.239 -4.187 73 3HB ALA 13 3HB ALA 13 6.033 7.664 -3.154 74 HA PRO 14 HA PRO 14 7.484 4.205 0.208 75 1HB PRO 14 1HB PRO 14 7.160 5.808 2.349 76 2HB PRO 14 2HB PRO 14 8.740 5.557 1.598 77 1HG PRO 14 1HG PRO 14 6.928 7.899 1.459 78 2HG PRO 14 2HG PRO 14 8.694 7.836 1.353 79 1HD PRO 14 1HD PRO 14 6.872 8.061 -0.793 80 2HD PRO 14 2HD PRO 14 8.613 7.752 -0.911 81 H CYS 15 H CYS 15 5.800 3.696 1.906 82 HA CYS 15 HA CYS 15 3.195 4.026 0.745 83 1HB CYS 15 1HB CYS 15 3.618 2.985 3.539 84 2HB CYS 15 2HB CYS 15 2.438 2.480 2.339 85 H VAL 16 H VAL 16 1.466 5.246 1.549 86 HA VAL 16 HA VAL 16 2.177 7.205 3.633 87 HB VAL 16 HB VAL 16 0.171 7.493 1.382 88 1HG1 VAL 16 1HG1 VAL 16 0.774 9.195 3.761 89 2HG1 VAL 16 2HG1 VAL 16 0.226 9.932 2.256 90 3HG1 VAL 16 3HG1 VAL 16 -0.789 8.744 3.077 91 1HG2 VAL 16 1HG2 VAL 16 2.896 7.857 1.296 92 2HG2 VAL 16 2HG2 VAL 16 1.720 8.588 0.202 93 3HG2 VAL 16 3HG2 VAL 16 2.282 9.478 1.616 94 H PHE 17 H PHE 17 1.220 6.836 5.519 95 HA PHE 17 HA PHE 17 -1.387 5.500 5.507 96 1HB PHE 17 1HB PHE 17 0.810 5.448 7.575 97 2HB PHE 17 2HB PHE 17 -0.779 4.748 7.803 98 HD1 PHE 17 1HD PHE 17 -1.463 3.197 5.619 99 HD2 PHE 17 2HD PHE 17 2.434 3.946 7.140 100 HE1 PHE 17 1HE PHE 17 -0.672 1.116 4.602 101 HE2 PHE 17 2HE PHE 17 3.240 1.853 6.128 102 HZ PHE 17 HZ PHE 17 1.699 0.414 4.839 103 HA PRO 18 HA PRO 18 -2.925 5.065 6.773 104 1HB PRO 18 1HB PRO 18 -5.522 6.243 6.971 105 2HB PRO 18 2HB PRO 18 -4.702 5.241 8.173 106 1HG PRO 18 1HG PRO 18 -5.314 7.936 8.472 107 2HG PRO 18 2HG PRO 18 -4.095 7.060 9.410 108 1HD PRO 18 1HD PRO 18 -3.747 8.865 7.052 109 2HD PRO 18 2HD PRO 18 -2.715 8.667 8.487 110 H PHE 19 H PHE 19 -3.526 4.221 4.792 111 HA PHE 19 HA PHE 19 -4.401 6.215 2.802 112 1HB PHE 19 1HB PHE 19 -3.537 4.883 1.038 113 2HB PHE 19 2HB PHE 19 -2.269 4.992 2.251 114 HD1 PHE 19 1HD PHE 19 -1.784 3.015 3.670 115 HD2 PHE 19 2HD PHE 19 -4.455 2.819 0.373 116 HE1 PHE 19 1HE PHE 19 -1.567 0.558 3.633 117 HE2 PHE 19 2HE PHE 19 -4.244 0.376 0.322 118 HZ PHE 19 HZ PHE 19 -2.797 -0.760 1.958 119 H THR 20 H THR 20 -6.345 6.004 1.865 120 HA THR 20 HA THR 20 -7.983 3.805 2.890 121 HB THR 20 HB THR 20 -8.773 6.321 1.369 122 HG1 THR 20 1HG THR 20 -7.924 6.669 3.510 123 1HG2 THR 20 1HG2 THR 20 -10.982 5.657 2.740 124 2HG2 THR 20 2HG2 THR 20 -10.694 5.206 1.058 125 3HG2 THR 20 3HG2 THR 20 -10.365 4.051 2.351 126 H PHE 21 H PHE 21 -8.477 2.127 1.738 127 HA PHE 21 HA PHE 21 -8.317 2.279 -1.211 128 1HB PHE 21 1HB PHE 21 -6.478 0.881 -0.062 129 2HB PHE 21 2HB PHE 21 -7.764 -0.189 0.444 130 HD1 PHE 21 1HD PHE 21 -6.547 1.391 -2.701 131 HD2 PHE 21 2HD PHE 21 -8.201 -2.049 -0.842 132 HE1 PHE 21 1HE PHE 21 -6.288 0.144 -4.790 133 HE2 PHE 21 2HE PHE 21 -7.945 -3.302 -2.931 134 HZ PHE 21 HZ PHE 21 -6.996 -2.211 -4.919 135 H LEU 22 H LEU 22 -9.994 1.410 -2.260 136 HA LEU 22 HA LEU 22 -12.169 0.928 -2.566 137 1HB LEU 22 1HB LEU 22 -10.596 -1.265 -1.407 138 2HB LEU 22 2HB LEU 22 -12.266 -1.576 -1.848 139 HG LEU 22 HG LEU 22 -10.559 -2.134 -3.600 140 1HD1 LEU 22 1HD1 LEU 22 -13.024 -1.378 -3.850 141 2HD1 LEU 22 2HD1 LEU 22 -12.267 0.014 -4.633 142 3HD1 LEU 22 3HD1 LEU 22 -11.988 -1.616 -5.256 143 1HD2 LEU 22 1HD2 LEU 22 -9.263 0.031 -3.137 144 2HD2 LEU 22 2HD2 LEU 22 -9.429 -0.543 -4.797 145 3HD2 LEU 22 3HD2 LEU 22 -10.458 0.763 -4.207 146 H GLY 23 H GLY 23 -12.274 2.551 -0.510 147 1HA GLY 23 1HA GLY 23 -14.014 3.211 0.883 148 2HA GLY 23 2HA GLY 23 -14.588 1.557 0.905 149 H ASN 24 H ASN 24 -11.477 1.080 1.852 150 HA ASN 24 HA ASN 24 -12.249 1.525 4.666 151 1HB ASN 24 1HB ASN 24 -10.367 -0.539 3.514 152 2HB ASN 24 2HB ASN 24 -10.867 -0.409 5.193 153 1HD2 ASN 24 1HD2 ASN 24 -12.999 -2.526 2.641 154 2HD2 ASN 24 2HD2 ASN 24 -11.382 -1.983 2.395 155 H LYS 25 H LYS 25 -10.609 2.092 6.187 156 HA LYS 25 HA LYS 25 -8.498 3.731 5.074 157 1HB LYS 25 1HB LYS 25 -9.470 3.344 7.916 158 2HB LYS 25 2HB LYS 25 -8.411 4.598 7.336 159 1HG LYS 25 1HG LYS 25 -10.113 5.688 6.154 160 2HG LYS 25 2HG LYS 25 -11.180 4.287 6.270 161 1HD LYS 25 1HD LYS 25 -11.264 4.623 8.729 162 2HD LYS 25 2HD LYS 25 -10.309 6.095 8.525 163 1HE LYS 25 1HE LYS 25 -12.720 6.567 8.712 164 2HE LYS 25 2HE LYS 25 -12.057 7.074 7.157 165 1HZ LYS 25 1HZ LYS 25 -13.259 4.398 7.378 166 2HZ LYS 25 2HZ LYS 25 -14.291 5.747 7.281 167 3HZ LYS 25 3HZ LYS 25 -13.177 5.429 6.039 168 H TYR 26 H TYR 26 -6.425 2.892 4.958 169 HA TYR 26 HA TYR 26 -5.876 0.537 6.629 170 1HB TYR 26 1HB TYR 26 -4.588 1.397 4.039 171 2HB TYR 26 2HB TYR 26 -4.194 -0.052 4.952 172 HD1 TYR 26 1HD TYR 26 -7.104 1.622 3.318 173 HD2 TYR 26 2HD TYR 26 -5.257 -2.046 4.399 174 HE1 TYR 26 1HE TYR 26 -8.833 0.402 2.109 175 HE2 TYR 26 2HE TYR 26 -6.986 -3.276 3.177 176 HH TYR 26 HH TYR 26 -9.456 -1.596 1.288 177 H GLU 27 H GLU 27 -4.564 0.741 8.185 178 HA GLU 27 HA GLU 27 -2.806 3.058 8.419 179 1HB GLU 27 1HB GLU 27 -3.425 0.898 10.422 180 2HB GLU 27 2HB GLU 27 -2.686 2.445 10.733 181 1HG GLU 27 1HG GLU 27 -4.741 3.592 10.249 182 2HG GLU 27 2HG GLU 27 -5.499 2.073 9.758 183 H SER 28 H SER 28 -2.821 -0.274 7.775 184 HA SER 28 HA SER 28 0.112 -0.352 7.826 185 1HB SER 28 1HB SER 28 -0.315 -2.868 8.261 186 2HB SER 28 2HB SER 28 -0.519 -1.765 9.621 187 HG SER 28 HG SER 28 -2.515 -2.430 9.728 188 H CYS 29 H CYS 29 0.601 -2.634 6.479 189 HA CYS 29 HA CYS 29 -0.142 -1.976 3.822 190 1HB CYS 29 1HB CYS 29 1.138 -4.467 4.953 191 2HB CYS 29 2HB CYS 29 0.911 -4.183 3.242 192 H THR 30 H THR 30 -1.086 -3.735 2.378 193 HA THR 30 HA THR 30 -3.184 -5.302 3.657 194 HB THR 30 HB THR 30 -4.230 -3.055 3.255 195 HG1 THR 30 1HG THR 30 -5.693 -4.610 3.121 196 1HG2 THR 30 1HG2 THR 30 -4.433 -3.360 0.378 197 2HG2 THR 30 2HG2 THR 30 -4.082 -1.929 1.345 198 3HG2 THR 30 3HG2 THR 30 -2.781 -3.037 0.905 199 H SER 31 H SER 31 -4.379 -6.555 1.932 200 HA SER 31 HA SER 31 -2.613 -7.163 -0.338 201 1HB SER 31 1HB SER 31 -3.434 -9.539 -0.126 202 2HB SER 31 2HB SER 31 -2.415 -8.992 1.216 203 HG SER 31 HG SER 31 -5.148 -9.584 1.159 204 H ALA 32 H ALA 32 -4.974 -5.470 0.332 205 HA ALA 32 HA ALA 32 -7.321 -6.385 -0.888 206 1HB ALA 32 1HB ALA 32 -6.502 -4.120 0.502 207 2HB ALA 32 2HB ALA 32 -6.893 -3.500 -1.103 208 3HB ALA 32 3HB ALA 32 -8.109 -4.382 -0.179 209 H GLY 33 H GLY 33 -8.086 -6.353 -2.927 210 1HA GLY 33 1HA GLY 33 -8.161 -5.953 -5.206 211 2HA GLY 33 2HA GLY 33 -6.859 -4.791 -5.004 212 H ARG 34 H ARG 34 -5.808 -7.541 -3.554 213 HA ARG 34 HA ARG 34 -4.411 -8.362 -6.005 214 1HB ARG 34 1HB ARG 34 -3.617 -8.781 -3.122 215 2HB ARG 34 2HB ARG 34 -2.678 -9.214 -4.532 216 1HG ARG 34 1HG ARG 34 -3.002 -6.615 -5.032 217 2HG ARG 34 2HG ARG 34 -3.089 -6.591 -3.269 218 1HD ARG 34 1HD ARG 34 -0.786 -6.287 -4.131 219 2HD ARG 34 2HD ARG 34 -0.959 -7.718 -3.109 220 HE ARG 34 HE ARG 34 -0.446 -9.028 -4.907 221 1HH1 ARG 34 1HH1 ARG 34 -1.351 -5.843 -6.055 222 2HH1 ARG 34 2HH1 ARG 34 -0.994 -6.198 -7.718 223 1HH2 ARG 34 1HH2 ARG 34 0.027 -9.497 -7.072 224 2HH2 ARG 34 2HH2 ARG 34 -0.197 -8.287 -8.296 225 H SER 35 H SER 35 -4.922 -10.020 -2.930 226 HA SER 35 HA SER 35 -5.803 -12.031 -2.370 227 1HB SER 35 1HB SER 35 -7.158 -11.933 -5.082 228 2HB SER 35 2HB SER 35 -7.553 -13.043 -3.768 229 HG SER 35 HG SER 35 -8.796 -10.927 -4.074 230 H ASP 36 H ASP 36 -3.246 -11.747 -3.697 231 HA ASP 36 HA ASP 36 -3.044 -14.365 -4.990 232 1HB ASP 36 1HB ASP 36 -0.753 -13.349 -5.750 233 2HB ASP 36 2HB ASP 36 -2.227 -12.995 -6.626 234 H GLY 37 H GLY 37 -0.513 -12.389 -3.641 235 1HA GLY 37 1HA GLY 37 -0.244 -14.034 -1.321 236 2HA GLY 37 2HA GLY 37 1.028 -14.281 -2.497 237 H LYS 38 H LYS 38 1.135 -11.468 -3.332 238 HA LYS 38 HA LYS 38 2.844 -10.559 -1.202 239 1HB LYS 38 1HB LYS 38 2.096 -8.906 -3.582 240 2HB LYS 38 2HB LYS 38 3.619 -8.961 -2.709 241 1HG LYS 38 1HG LYS 38 2.607 -11.228 -4.382 242 2HG LYS 38 2HG LYS 38 3.602 -9.935 -5.006 243 1HD LYS 38 1HD LYS 38 5.311 -10.492 -3.269 244 2HD LYS 38 2HD LYS 38 4.336 -11.903 -2.847 245 1HE LYS 38 1HE LYS 38 5.626 -11.320 -5.510 246 2HE LYS 38 2HE LYS 38 6.109 -12.562 -4.353 247 1HZ LYS 38 1HZ LYS 38 3.722 -13.419 -4.669 248 2HZ LYS 38 2HZ LYS 38 3.712 -12.476 -6.089 249 3HZ LYS 38 3HZ LYS 38 4.852 -13.715 -5.898 250 H MET 39 H MET 39 2.594 -8.756 0.061 251 HA MET 39 HA MET 39 -0.081 -7.571 0.098 252 1HB MET 39 1HB MET 39 2.045 -7.428 2.250 253 2HB MET 39 2HB MET 39 0.363 -6.944 2.370 254 1HG MET 39 1HG MET 39 -0.326 -9.277 2.073 255 2HG MET 39 2HG MET 39 1.371 -9.747 2.024 256 1HE MET 39 1HE MET 39 2.964 -8.765 3.646 257 2HE MET 39 2HE MET 39 2.496 -7.868 5.093 258 3HE MET 39 3HE MET 39 2.809 -9.601 5.189 259 H TRP 40 H TRP 40 -0.188 -5.209 0.184 260 HA TRP 40 HA TRP 40 2.334 -3.881 -0.553 261 1HB TRP 40 1HB TRP 40 1.165 -2.636 -2.335 262 2HB TRP 40 2HB TRP 40 1.198 -4.373 -2.655 263 HD1 TRP 40 HD1 TRP 40 -1.259 -5.650 -1.764 264 HE1 TRP 40 1HE TRP 40 -3.661 -4.777 -2.087 265 HE3 TRP 40 3HE TRP 40 -0.229 -0.727 -2.627 266 HZ2 TRP 40 2HZ TRP 40 -4.941 -2.327 -2.598 267 HZ3 TRP 40 3HZ TRP 40 -2.102 0.820 -2.989 268 HH2 TRP 40 HH2 TRP 40 -4.404 0.035 -2.981 269 H CYS 41 H CYS 41 1.491 -1.398 -1.055 270 HA CYS 41 HA CYS 41 -0.267 -0.380 1.007 271 1HB CYS 41 1HB CYS 41 1.523 1.095 1.945 272 2HB CYS 41 2HB CYS 41 1.811 -0.614 2.276 273 H ALA 42 H ALA 42 -0.926 1.784 0.498 274 HA ALA 42 HA ALA 42 -0.404 2.528 -2.250 275 1HB ALA 42 1HB ALA 42 -2.659 2.821 -1.304 276 2HB ALA 42 2HB ALA 42 -2.016 4.010 -0.171 277 3HB ALA 42 3HB ALA 42 -1.987 4.337 -1.906 278 H THR 43 H THR 43 0.585 4.477 -2.916 279 HA THR 43 HA THR 43 2.513 5.455 -0.948 280 HB THR 43 HB THR 43 3.795 6.236 -2.906 281 HG1 THR 43 1HG THR 43 2.679 6.518 -4.662 282 1HG2 THR 43 1HG2 THR 43 3.841 3.806 -4.032 283 2HG2 THR 43 2HG2 THR 43 4.610 4.180 -2.487 284 3HG2 THR 43 3HG2 THR 43 3.017 3.426 -2.522 285 H THR 44 H THR 44 -0.373 6.185 -1.451 286 HA THR 44 HA THR 44 -0.021 9.050 -1.134 287 HB THR 44 HB THR 44 -2.081 9.407 -2.595 288 HG1 THR 44 1HG THR 44 -2.933 7.720 -3.456 289 1HG2 THR 44 1HG2 THR 44 0.311 8.396 -4.100 290 2HG2 THR 44 2HG2 THR 44 -0.903 9.548 -4.657 291 3HG2 THR 44 3HG2 THR 44 0.204 9.991 -3.356 292 H ALA 45 H ALA 45 -1.786 10.020 0.040 293 HA ALA 45 HA ALA 45 -2.786 8.459 2.128 294 1HB ALA 45 1HB ALA 45 -3.352 11.200 1.132 295 2HB ALA 45 2HB ALA 45 -4.463 10.489 2.303 296 3HB ALA 45 3HB ALA 45 -2.755 10.665 2.702 297 H ASN 46 H ASN 46 -4.334 9.449 -0.885 298 HA ASN 46 HA ASN 46 -6.499 7.553 -0.266 299 1HB ASN 46 1HB ASN 46 -7.299 9.907 -0.328 300 2HB ASN 46 2HB ASN 46 -6.727 10.033 -1.990 301 1HD2 ASN 46 1HD2 ASN 46 -10.300 8.489 -1.170 302 2HD2 ASN 46 2HD2 ASN 46 -9.284 9.222 0.014 303 H TYR 47 H TYR 47 -6.033 5.786 -1.344 304 HA TYR 47 HA TYR 47 -4.487 5.757 -3.735 305 1HB TYR 47 1HB TYR 47 -4.518 3.909 -2.056 306 2HB TYR 47 2HB TYR 47 -6.160 3.525 -2.571 307 HD1 TYR 47 1HD TYR 47 -2.624 3.487 -3.545 308 HD2 TYR 47 2HD TYR 47 -6.578 2.424 -4.672 309 HE1 TYR 47 1HE TYR 47 -1.727 2.053 -5.322 310 HE2 TYR 47 2HE TYR 47 -5.689 0.977 -6.446 311 HH TYR 47 HH TYR 47 -3.547 -0.247 -6.943 312 H ASP 48 H ASP 48 -7.934 5.383 -3.040 313 HA ASP 48 HA ASP 48 -8.852 4.454 -5.437 314 1HB ASP 48 1HB ASP 48 -10.096 6.437 -3.553 315 2HB ASP 48 2HB ASP 48 -10.951 5.756 -4.931 316 H ASP 49 H ASP 49 -7.986 7.796 -4.697 317 HA ASP 49 HA ASP 49 -8.840 8.662 -7.333 318 1HB ASP 49 1HB ASP 49 -7.923 10.056 -4.859 319 2HB ASP 49 2HB ASP 49 -7.858 10.902 -6.401 320 H ASP 50 H ASP 50 -5.751 8.305 -5.594 321 HA ASP 50 HA ASP 50 -4.345 9.364 -7.919 322 1HB ASP 50 1HB ASP 50 -3.373 8.535 -5.190 323 2HB ASP 50 2HB ASP 50 -2.314 9.102 -6.476 324 H ARG 51 H ARG 51 -5.028 6.311 -6.507 325 HA ARG 51 HA ARG 51 -4.331 4.205 -6.843 326 1HB ARG 51 1HB ARG 51 -4.530 5.164 -9.671 327 2HB ARG 51 2HB ARG 51 -4.639 3.488 -9.134 328 1HG ARG 51 1HG ARG 51 -6.439 4.708 -7.517 329 2HG ARG 51 2HG ARG 51 -6.617 5.637 -9.008 330 1HD ARG 51 1HD ARG 51 -6.693 2.645 -8.843 331 2HD ARG 51 2HD ARG 51 -8.120 3.681 -8.798 332 HE ARG 51 HE ARG 51 -6.524 4.244 -11.085 333 1HH1 ARG 51 1HH1 ARG 51 -8.820 1.961 -9.798 334 2HH1 ARG 51 2HH1 ARG 51 -9.360 1.416 -11.349 335 1HH2 ARG 51 1HH2 ARG 51 -7.243 3.560 -13.152 336 2HH2 ARG 51 2HH2 ARG 51 -8.462 2.324 -13.261 337 H LYS 52 H LYS 52 -2.107 5.363 -6.064 338 HA LYS 52 HA LYS 52 -0.094 4.152 -7.817 339 1HB LYS 52 1HB LYS 52 0.081 6.633 -6.121 340 2HB LYS 52 2HB LYS 52 1.528 5.703 -6.491 341 1HG LYS 52 1HG LYS 52 1.226 6.032 -8.843 342 2HG LYS 52 2HG LYS 52 -0.339 6.800 -8.581 343 1HD LYS 52 1HD LYS 52 2.309 7.870 -7.594 344 2HD LYS 52 2HD LYS 52 1.479 8.411 -9.055 345 1HE LYS 52 1HE LYS 52 -0.457 9.064 -7.684 346 2HE LYS 52 2HE LYS 52 0.432 8.601 -6.236 347 1HZ LYS 52 1HZ LYS 52 1.751 10.504 -8.015 348 2HZ LYS 52 2HZ LYS 52 0.388 11.073 -7.195 349 3HZ LYS 52 3HZ LYS 52 1.708 10.453 -6.319 350 H TRP 53 H TRP 53 0.708 2.365 -7.005 351 HA TRP 53 HA TRP 53 0.677 2.024 -4.090 352 1HB TRP 53 1HB TRP 53 -0.129 -0.215 -4.388 353 2HB TRP 53 2HB TRP 53 -1.185 0.884 -5.188 354 HD1 TRP 53 HD1 TRP 53 -0.637 1.073 -8.036 355 HE1 TRP 53 1HE TRP 53 -0.149 -0.930 -9.586 356 HE3 TRP 53 3HE TRP 53 0.746 -2.223 -4.508 357 HZ2 TRP 53 2HZ TRP 53 0.766 -3.619 -9.301 358 HZ3 TRP 53 3HZ TRP 53 1.452 -4.518 -5.173 359 HH2 TRP 53 HH2 TRP 53 1.457 -5.185 -7.536 360 H GLY 54 H GLY 54 1.849 0.137 -3.354 361 1HA GLY 54 1HA GLY 54 4.079 -0.872 -4.873 362 2HA GLY 54 2HA GLY 54 4.554 0.262 -3.610 363 H PHE 55 H PHE 55 4.946 -2.679 -3.898 364 HA PHE 55 HA PHE 55 3.338 -4.098 -2.097 365 1HB PHE 55 1HB PHE 55 6.077 -4.464 -3.252 366 2HB PHE 55 2HB PHE 55 5.518 -5.541 -1.988 367 HD1 PHE 55 1HD PHE 55 2.547 -5.028 -3.356 368 HD2 PHE 55 2HD PHE 55 6.313 -6.615 -4.531 369 HE1 PHE 55 1HE PHE 55 1.418 -6.488 -4.996 370 HE2 PHE 55 2HE PHE 55 5.195 -8.079 -6.170 371 HZ PHE 55 HZ PHE 55 2.748 -7.995 -6.412 372 H CYS 56 H CYS 56 3.975 -4.981 -0.040 373 HA CYS 56 HA CYS 56 4.896 -2.988 1.790 374 1HB CYS 56 1HB CYS 56 3.197 -5.022 2.074 375 2HB CYS 56 2HB CYS 56 4.659 -5.900 2.498 376 HA PRO 57 HA PRO 57 9.295 -3.363 2.190 377 1HB PRO 57 1HB PRO 57 9.318 -4.818 4.632 378 2HB PRO 57 2HB PRO 57 9.714 -3.123 4.340 379 1HG PRO 57 1HG PRO 57 7.170 -4.359 5.124 380 2HG PRO 57 2HG PRO 57 7.773 -2.742 5.502 381 1HD PRO 57 1HD PRO 57 5.802 -3.036 3.765 382 2HD PRO 57 2HD PRO 57 7.146 -1.939 3.362 383 H ASP 58 H ASP 58 9.646 -5.942 4.077 384 HA ASP 58 HA ASP 58 10.841 -7.455 1.937 385 1HB ASP 58 1HB ASP 58 11.771 -7.157 4.335 386 2HB ASP 58 2HB ASP 58 10.655 -8.443 4.776 387 H GLN 59 H GLN 59 9.424 -8.458 0.646 388 HA GLN 59 HA GLN 59 7.345 -10.145 1.876 389 1HB GLN 59 1HB GLN 59 7.532 -8.910 -0.875 390 2HB GLN 59 2HB GLN 59 6.324 -10.111 -0.439 391 1HG GLN 59 1HG GLN 59 6.650 -7.507 1.024 392 2HG GLN 59 2HG GLN 59 5.594 -7.698 -0.372 393 1HE2 GLN 59 1HE2 GLN 59 4.100 -10.379 2.070 394 2HE2 GLN 59 2HE2 GLN 59 5.423 -10.606 0.982 395 H GLY 60 H GLY 60 8.880 -10.244 -1.309 396 1HA GLY 60 1HA GLY 60 10.651 -12.289 -1.089 397 2HA GLY 60 2HA GLY 60 9.099 -13.112 -1.190 Start of MODEL 33 1 H SER 1 1H SER 1 16.613 2.607 8.835 2 HA SER 1 HA SER 1 14.530 2.212 8.525 3 1HB SER 1 1HB SER 1 14.256 5.206 8.104 4 2HB SER 1 2HB SER 1 12.973 4.096 8.600 5 HG SER 1 HG SER 1 14.980 5.259 10.087 6 H TRP 2 H TRP 2 13.490 1.300 6.864 7 HA TRP 2 HA TRP 2 13.352 2.695 4.300 8 1HB TRP 2 1HB TRP 2 15.422 1.171 4.371 9 2HB TRP 2 2HB TRP 2 14.288 -0.175 4.374 10 HD1 TRP 2 HD1 TRP 2 14.812 2.999 2.189 11 HE1 TRP 2 1HE TRP 2 14.517 2.315 -0.277 12 HE3 TRP 2 3HE TRP 2 13.714 -1.933 2.861 13 HZ2 TRP 2 2HZ TRP 2 13.897 -0.023 -1.740 14 HZ3 TRP 2 3HZ TRP 2 13.280 -3.329 0.886 15 HH2 TRP 2 HH2 TRP 2 13.368 -2.392 -1.366 16 H MET 3 H MET 3 11.145 2.861 4.499 17 HA MET 3 HA MET 3 9.661 0.330 4.550 18 1HB MET 3 1HB MET 3 7.728 1.773 5.319 19 2HB MET 3 2HB MET 3 9.006 1.516 6.486 20 1HG MET 3 1HG MET 3 9.893 3.740 6.002 21 2HG MET 3 2HG MET 3 8.624 3.990 4.805 22 1HE MET 3 1HE MET 3 6.207 2.635 6.055 23 2HE MET 3 2HE MET 3 5.430 3.784 7.147 24 3HE MET 3 3HE MET 3 5.934 4.300 5.535 25 H SER 4 H SER 4 10.799 1.231 2.238 26 HA SER 4 HA SER 4 8.898 2.729 0.679 27 1HB SER 4 1HB SER 4 11.363 1.228 -0.228 28 2HB SER 4 2HB SER 4 10.496 2.471 -1.131 29 HG SER 4 HG SER 4 11.927 3.732 -0.199 30 H THR 5 H THR 5 8.728 1.579 -1.720 31 HA THR 5 HA THR 5 7.068 -0.736 -1.164 32 HB THR 5 HB THR 5 6.293 -0.304 -3.533 33 HG1 THR 5 1HG THR 5 7.470 2.227 -3.297 34 1HG2 THR 5 1HG2 THR 5 5.967 2.210 -1.979 35 2HG2 THR 5 2HG2 THR 5 4.775 1.289 -2.900 36 3HG2 THR 5 3HG2 THR 5 5.321 0.702 -1.329 37 H VAL 6 H VAL 6 6.999 -2.535 -2.633 38 HA VAL 6 HA VAL 6 9.586 -3.194 -3.874 39 HB VAL 6 HB VAL 6 7.924 -5.392 -2.834 40 1HG1 VAL 6 1HG1 VAL 6 10.793 -4.881 -3.311 41 2HG1 VAL 6 2HG1 VAL 6 10.360 -6.066 -2.077 42 3HG1 VAL 6 3HG1 VAL 6 9.796 -6.271 -3.736 43 1HG2 VAL 6 1HG2 VAL 6 8.836 -3.289 -1.096 44 2HG2 VAL 6 2HG2 VAL 6 7.772 -4.655 -0.764 45 3HG2 VAL 6 3HG2 VAL 6 9.520 -4.851 -0.648 46 H GLY 7 H GLY 7 6.700 -2.466 -4.418 47 1HA GLY 7 1HA GLY 7 6.467 -3.919 -6.879 48 2HA GLY 7 2HA GLY 7 5.184 -4.207 -5.733 49 H GLY 8 H GLY 8 3.768 -3.301 -7.365 50 1HA GLY 8 1HA GLY 8 2.354 -1.562 -7.886 51 2HA GLY 8 2HA GLY 8 3.267 -0.554 -6.782 52 H ASN 9 H ASN 9 2.289 0.539 -9.025 53 HA ASN 9 HA ASN 9 4.207 0.522 -11.157 54 1HB ASN 9 1HB ASN 9 2.875 2.481 -12.017 55 2HB ASN 9 2HB ASN 9 1.978 0.992 -11.811 56 1HD2 ASN 9 1HD2 ASN 9 1.005 3.059 -8.611 57 2HD2 ASN 9 2HD2 ASN 9 2.478 2.188 -8.825 58 H SER 10 H SER 10 4.253 1.896 -8.121 59 HA SER 10 HA SER 10 5.586 4.347 -8.812 60 1HB SER 10 1HB SER 10 5.504 3.024 -6.095 61 2HB SER 10 2HB SER 10 5.674 4.738 -6.466 62 HG SER 10 HG SER 10 3.537 4.241 -5.828 63 H GLY 11 H GLY 11 6.518 1.314 -7.193 64 1HA GLY 11 1HA GLY 11 8.532 0.239 -6.983 65 2HA GLY 11 2HA GLY 11 8.895 0.907 -8.561 66 H GLY 12 H GLY 12 9.037 1.595 -5.086 67 1HA GLY 12 1HA GLY 12 11.381 2.245 -4.427 68 2HA GLY 12 2HA GLY 12 11.260 3.442 -5.705 69 H ALA 13 H ALA 13 8.511 4.178 -5.121 70 HA ALA 13 HA ALA 13 9.018 6.175 -3.168 71 1HB ALA 13 1HB ALA 13 7.379 6.224 -5.161 72 2HB ALA 13 2HB ALA 13 6.261 5.416 -4.060 73 3HB ALA 13 3HB ALA 13 6.901 7.009 -3.657 74 HA PRO 14 HA PRO 14 7.749 3.958 0.437 75 1HB PRO 14 1HB PRO 14 7.382 5.999 2.154 76 2HB PRO 14 2HB PRO 14 8.984 5.538 1.573 77 1HG PRO 14 1HG PRO 14 7.259 7.826 0.767 78 2HG PRO 14 2HG PRO 14 9.024 7.737 0.886 79 1HD PRO 14 1HD PRO 14 7.534 7.542 -1.467 80 2HD PRO 14 2HD PRO 14 9.226 7.044 -1.268 81 H CYS 15 H CYS 15 5.931 3.383 1.637 82 HA CYS 15 HA CYS 15 3.411 4.116 0.459 83 1HB CYS 15 1HB CYS 15 4.095 2.322 2.807 84 2HB CYS 15 2HB CYS 15 2.480 2.495 2.126 85 H VAL 16 H VAL 16 1.817 5.406 1.353 86 HA VAL 16 HA VAL 16 2.579 6.937 3.747 87 HB VAL 16 HB VAL 16 0.498 7.633 1.660 88 1HG1 VAL 16 1HG1 VAL 16 0.426 8.543 4.126 89 2HG1 VAL 16 2HG1 VAL 16 1.683 9.627 3.533 90 3HG1 VAL 16 3HG1 VAL 16 0.097 9.599 2.757 91 1HG2 VAL 16 1HG2 VAL 16 3.249 7.703 1.362 92 2HG2 VAL 16 2HG2 VAL 16 2.068 8.588 0.395 93 3HG2 VAL 16 3HG2 VAL 16 2.828 9.365 1.784 94 H PHE 17 H PHE 17 1.583 6.392 5.592 95 HA PHE 17 HA PHE 17 -1.093 5.200 5.426 96 1HB PHE 17 1HB PHE 17 0.960 4.954 7.637 97 2HB PHE 17 2HB PHE 17 -0.619 4.204 7.617 98 HD1 PHE 17 1HD PHE 17 2.668 4.229 5.997 99 HD2 PHE 17 2HD PHE 17 -1.000 2.154 6.505 100 HE1 PHE 17 1HE PHE 17 3.649 2.272 4.890 101 HE2 PHE 17 2HE PHE 17 -0.035 0.182 5.406 102 HZ PHE 17 HZ PHE 17 2.302 0.211 4.585 103 HA PRO 18 HA PRO 18 -2.624 4.701 6.827 104 1HB PRO 18 1HB PRO 18 -5.183 5.903 7.145 105 2HB PRO 18 2HB PRO 18 -4.333 4.872 8.295 106 1HG PRO 18 1HG PRO 18 -4.899 7.573 8.650 107 2HG PRO 18 2HG PRO 18 -3.695 6.648 9.562 108 1HD PRO 18 1HD PRO 18 -3.317 8.518 7.269 109 2HD PRO 18 2HD PRO 18 -2.263 8.208 8.665 110 H PHE 19 H PHE 19 -3.230 3.937 4.874 111 HA PHE 19 HA PHE 19 -4.211 5.916 2.922 112 1HB PHE 19 1HB PHE 19 -3.388 4.535 1.138 113 2HB PHE 19 2HB PHE 19 -2.075 4.826 2.272 114 HD1 PHE 19 1HD PHE 19 -1.595 2.949 3.986 115 HD2 PHE 19 2HD PHE 19 -3.892 2.393 0.452 116 HE1 PHE 19 1HE PHE 19 -1.195 0.530 4.112 117 HE2 PHE 19 2HE PHE 19 -3.494 -0.032 0.567 118 HZ PHE 19 HZ PHE 19 -2.142 -0.964 2.399 119 H THR 20 H THR 20 -6.204 5.690 2.185 120 HA THR 20 HA THR 20 -7.730 3.402 3.145 121 HB THR 20 HB THR 20 -8.556 6.007 1.828 122 HG1 THR 20 1HG THR 20 -7.997 6.494 3.849 123 1HG2 THR 20 1HG2 THR 20 -10.778 5.066 3.128 124 2HG2 THR 20 2HG2 THR 20 -10.513 5.066 1.384 125 3HG2 THR 20 3HG2 THR 20 -10.142 3.625 2.332 126 H PHE 21 H PHE 21 -8.338 1.759 1.955 127 HA PHE 21 HA PHE 21 -8.211 2.012 -0.988 128 1HB PHE 21 1HB PHE 21 -6.430 0.520 0.070 129 2HB PHE 21 2HB PHE 21 -7.744 -0.502 0.602 130 HD1 PHE 21 1HD PHE 21 -6.398 0.984 -2.529 131 HD2 PHE 21 2HD PHE 21 -8.442 -2.272 -0.715 132 HE1 PHE 21 1HE PHE 21 -6.253 -0.259 -4.630 133 HE2 PHE 21 2HE PHE 21 -8.298 -3.522 -2.821 134 HZ PHE 21 HZ PHE 21 -7.215 -2.525 -4.788 135 H LEU 22 H LEU 22 -9.920 1.318 -2.047 136 HA LEU 22 HA LEU 22 -12.121 0.956 -2.364 137 1HB LEU 22 1HB LEU 22 -10.606 -1.388 -1.454 138 2HB LEU 22 2HB LEU 22 -12.283 -1.598 -1.912 139 HG LEU 22 HG LEU 22 -10.640 -2.039 -3.731 140 1HD1 LEU 22 1HD1 LEU 22 -12.667 0.100 -3.956 141 2HD1 LEU 22 2HD1 LEU 22 -11.834 -0.573 -5.359 142 3HD1 LEU 22 3HD1 LEU 22 -12.831 -1.614 -4.345 143 1HD2 LEU 22 1HD2 LEU 22 -10.219 0.911 -3.531 144 2HD2 LEU 22 2HD2 LEU 22 -8.999 -0.357 -3.402 145 3HD2 LEU 22 3HD2 LEU 22 -9.802 -0.055 -4.946 146 H GLY 23 H GLY 23 -12.096 2.328 -0.077 147 1HA GLY 23 1HA GLY 23 -13.944 2.824 1.316 148 2HA GLY 23 2HA GLY 23 -14.358 1.126 1.327 149 H ASN 24 H ASN 24 -11.344 0.570 2.152 150 HA ASN 24 HA ASN 24 -11.884 1.205 4.977 151 1HB ASN 24 1HB ASN 24 -10.340 -1.075 3.743 152 2HB ASN 24 2HB ASN 24 -10.512 -0.793 5.471 153 1HD2 ASN 24 1HD2 ASN 24 -13.342 -2.686 3.408 154 2HD2 ASN 24 2HD2 ASN 24 -11.797 -2.265 2.771 155 H LYS 25 H LYS 25 -10.440 2.265 6.172 156 HA LYS 25 HA LYS 25 -8.170 3.471 4.920 157 1HB LYS 25 1HB LYS 25 -8.965 3.514 7.833 158 2HB LYS 25 2HB LYS 25 -8.037 4.693 6.948 159 1HG LYS 25 1HG LYS 25 -9.980 5.374 5.681 160 2HG LYS 25 2HG LYS 25 -10.938 4.112 6.468 161 1HD LYS 25 1HD LYS 25 -11.438 6.165 7.569 162 2HD LYS 25 2HD LYS 25 -10.426 5.215 8.660 163 1HE LYS 25 1HE LYS 25 -8.457 6.514 7.717 164 2HE LYS 25 2HE LYS 25 -9.647 7.589 6.982 165 1HZ LYS 25 1HZ LYS 25 -10.584 7.841 9.291 166 2HZ LYS 25 2HZ LYS 25 -9.170 7.081 9.858 167 3HZ LYS 25 3HZ LYS 25 -9.066 8.558 9.020 168 H TYR 26 H TYR 26 -6.115 2.599 4.954 169 HA TYR 26 HA TYR 26 -5.691 0.391 6.833 170 1HB TYR 26 1HB TYR 26 -4.277 0.965 4.234 171 2HB TYR 26 2HB TYR 26 -4.001 -0.420 5.275 172 HD1 TYR 26 1HD TYR 26 -7.026 -0.844 5.891 173 HD2 TYR 26 2HD TYR 26 -4.832 -0.294 2.296 174 HE1 TYR 26 1HE TYR 26 -8.712 -2.122 4.663 175 HE2 TYR 26 2HE TYR 26 -6.512 -1.573 1.070 176 HH TYR 26 HH TYR 26 -8.489 -3.598 2.235 177 H GLU 27 H GLU 27 -4.355 0.661 8.387 178 HA GLU 27 HA GLU 27 -2.485 2.907 8.347 179 1HB GLU 27 1HB GLU 27 -3.618 1.236 10.576 180 2HB GLU 27 2HB GLU 27 -2.401 2.462 10.804 181 1HG GLU 27 1HG GLU 27 -3.947 4.158 9.940 182 2HG GLU 27 2HG GLU 27 -5.174 2.912 9.742 183 H SER 28 H SER 28 -2.655 -0.354 7.876 184 HA SER 28 HA SER 28 0.228 -0.651 8.191 185 1HB SER 28 1HB SER 28 -0.443 -3.146 8.632 186 2HB SER 28 2HB SER 28 -0.531 -1.998 9.957 187 HG SER 28 HG SER 28 -2.643 -3.047 8.382 188 H CYS 29 H CYS 29 0.896 -2.670 6.766 189 HA CYS 29 HA CYS 29 0.059 -2.108 4.133 190 1HB CYS 29 1HB CYS 29 1.465 -4.583 5.125 191 2HB CYS 29 2HB CYS 29 1.380 -4.041 3.465 192 H THR 30 H THR 30 -0.913 -3.660 2.664 193 HA THR 30 HA THR 30 -2.843 -5.471 3.937 194 HB THR 30 HB THR 30 -3.958 -3.255 3.532 195 HG1 THR 30 1HG THR 30 -5.360 -4.903 3.434 196 1HG2 THR 30 1HG2 THR 30 -4.447 -2.594 1.231 197 2HG2 THR 30 2HG2 THR 30 -2.722 -2.512 1.584 198 3HG2 THR 30 3HG2 THR 30 -3.365 -3.853 0.636 199 H SER 31 H SER 31 -4.052 -6.671 2.125 200 HA SER 31 HA SER 31 -2.264 -7.206 -0.134 201 1HB SER 31 1HB SER 31 -2.930 -9.637 0.070 202 2HB SER 31 2HB SER 31 -1.912 -9.040 1.396 203 HG SER 31 HG SER 31 -4.242 -10.226 1.596 204 H ALA 32 H ALA 32 -4.627 -5.589 0.495 205 HA ALA 32 HA ALA 32 -6.997 -6.580 -0.587 206 1HB ALA 32 1HB ALA 32 -5.983 -4.069 0.393 207 2HB ALA 32 2HB ALA 32 -6.909 -3.794 -1.083 208 3HB ALA 32 3HB ALA 32 -7.655 -4.616 0.287 209 H GLY 33 H GLY 33 -7.877 -6.627 -2.574 210 1HA GLY 33 1HA GLY 33 -8.060 -6.399 -4.864 211 2HA GLY 33 2HA GLY 33 -6.741 -5.238 -4.803 212 H ARG 34 H ARG 34 -5.451 -7.784 -3.258 213 HA ARG 34 HA ARG 34 -4.317 -8.791 -5.769 214 1HB ARG 34 1HB ARG 34 -3.191 -9.190 -3.006 215 2HB ARG 34 2HB ARG 34 -2.390 -9.422 -4.539 216 1HG ARG 34 1HG ARG 34 -2.919 -6.845 -4.815 217 2HG ARG 34 2HG ARG 34 -2.915 -6.923 -3.052 218 1HD ARG 34 1HD ARG 34 -0.697 -6.370 -3.998 219 2HD ARG 34 2HD ARG 34 -0.693 -7.858 -3.045 220 HE ARG 34 HE ARG 34 -0.045 -8.984 -4.921 221 1HH1 ARG 34 1HH1 ARG 34 -1.519 -5.975 -5.901 222 2HH1 ARG 34 2HH1 ARG 34 -1.292 -6.254 -7.600 223 1HH2 ARG 34 1HH2 ARG 34 0.236 -9.373 -7.183 224 2HH2 ARG 34 2HH2 ARG 34 -0.304 -8.177 -8.324 225 H SER 35 H SER 35 -3.935 -11.035 -6.047 226 HA SER 35 HA SER 35 -5.603 -12.754 -4.338 227 1HB SER 35 1HB SER 35 -6.673 -12.282 -6.551 228 2HB SER 35 2HB SER 35 -5.288 -13.030 -7.342 229 HG SER 35 HG SER 35 -5.849 -14.982 -6.519 230 H ASP 36 H ASP 36 -2.535 -12.066 -5.129 231 HA ASP 36 HA ASP 36 -1.612 -14.803 -5.444 232 1HB ASP 36 1HB ASP 36 0.696 -13.502 -5.271 233 2HB ASP 36 2HB ASP 36 -0.217 -13.588 -6.759 234 H GLY 37 H GLY 37 -0.337 -12.246 -3.453 235 1HA GLY 37 1HA GLY 37 -0.980 -13.171 -0.956 236 2HA GLY 37 2HA GLY 37 0.466 -14.060 -1.398 237 H LYS 38 H LYS 38 1.345 -11.627 -3.001 238 HA LYS 38 HA LYS 38 3.048 -10.515 -1.103 239 1HB LYS 38 1HB LYS 38 2.149 -9.296 -3.722 240 2HB LYS 38 2HB LYS 38 3.605 -8.892 -2.834 241 1HG LYS 38 1HG LYS 38 4.192 -10.245 -4.693 242 2HG LYS 38 2HG LYS 38 4.445 -11.189 -3.240 243 1HD LYS 38 1HD LYS 38 2.655 -12.583 -3.698 244 2HD LYS 38 2HD LYS 38 1.883 -11.413 -4.769 245 1HE LYS 38 1HE LYS 38 4.509 -12.728 -5.418 246 2HE LYS 38 2HE LYS 38 2.955 -13.425 -5.872 247 1HZ LYS 38 1HZ LYS 38 2.504 -11.210 -6.977 248 2HZ LYS 38 2HZ LYS 38 4.151 -10.869 -6.790 249 3HZ LYS 38 3HZ LYS 38 3.657 -12.199 -7.726 250 H MET 39 H MET 39 2.731 -8.956 0.403 251 HA MET 39 HA MET 39 0.206 -7.529 0.341 252 1HB MET 39 1HB MET 39 2.378 -7.479 2.444 253 2HB MET 39 2HB MET 39 0.769 -6.788 2.578 254 1HG MET 39 1HG MET 39 -0.195 -9.044 2.372 255 2HG MET 39 2HG MET 39 1.439 -9.706 2.353 256 1HE MET 39 1HE MET 39 -0.450 -10.876 4.015 257 2HE MET 39 2HE MET 39 0.959 -11.257 5.002 258 3HE MET 39 3HE MET 39 -0.461 -10.516 5.743 259 H TRP 40 H TRP 40 0.036 -5.319 0.211 260 HA TRP 40 HA TRP 40 2.488 -3.850 -0.481 261 1HB TRP 40 1HB TRP 40 1.227 -2.709 -2.274 262 2HB TRP 40 2HB TRP 40 1.335 -4.448 -2.565 263 HD1 TRP 40 HD1 TRP 40 -1.014 -5.833 -1.625 264 HE1 TRP 40 1HE TRP 40 -3.464 -5.099 -1.872 265 HE3 TRP 40 3HE TRP 40 -0.294 -0.868 -2.559 266 HZ2 TRP 40 2HZ TRP 40 -4.895 -2.737 -2.361 267 HZ3 TRP 40 3HZ TRP 40 -2.261 0.559 -2.883 268 HH2 TRP 40 HH2 TRP 40 -4.510 -0.359 -2.793 269 H CYS 41 H CYS 41 1.354 -1.454 -1.040 270 HA CYS 41 HA CYS 41 -0.524 -0.515 0.849 271 1HB CYS 41 1HB CYS 41 1.293 1.028 1.960 272 2HB CYS 41 2HB CYS 41 0.982 -0.582 2.593 273 H ALA 42 H ALA 42 -1.024 1.717 0.465 274 HA ALA 42 HA ALA 42 -0.357 2.522 -2.205 275 1HB ALA 42 1HB ALA 42 -2.569 2.901 -0.836 276 2HB ALA 42 2HB ALA 42 -1.744 4.381 -0.341 277 3HB ALA 42 3HB ALA 42 -2.037 4.067 -2.052 278 H THR 43 H THR 43 0.672 4.408 -2.851 279 HA THR 43 HA THR 43 2.712 5.315 -0.962 280 HB THR 43 HB THR 43 3.894 6.123 -2.952 281 HG1 THR 43 1HG THR 43 2.927 6.345 -4.810 282 1HG2 THR 43 1HG2 THR 43 2.883 3.406 -3.681 283 2HG2 THR 43 2HG2 THR 43 4.501 4.081 -3.872 284 3HG2 THR 43 3HG2 THR 43 3.907 3.654 -2.268 285 H THR 44 H THR 44 -0.247 6.082 -1.499 286 HA THR 44 HA THR 44 0.142 8.963 -1.137 287 HB THR 44 HB THR 44 -2.006 9.307 -2.401 288 HG1 THR 44 1HG THR 44 -3.091 7.571 -2.793 289 1HG2 THR 44 1HG2 THR 44 -0.164 7.929 -4.300 290 2HG2 THR 44 2HG2 THR 44 -1.097 9.413 -4.505 291 3HG2 THR 44 3HG2 THR 44 0.347 9.409 -3.491 292 H ALA 45 H ALA 45 -1.439 9.907 0.275 293 HA ALA 45 HA ALA 45 -2.224 8.321 2.446 294 1HB ALA 45 1HB ALA 45 -2.105 11.010 1.952 295 2HB ALA 45 2HB ALA 45 -3.843 10.726 2.079 296 3HB ALA 45 3HB ALA 45 -2.776 10.269 3.404 297 H ASN 46 H ASN 46 -4.004 9.269 -0.442 298 HA ASN 46 HA ASN 46 -6.141 7.424 0.403 299 1HB ASN 46 1HB ASN 46 -6.922 9.792 0.420 300 2HB ASN 46 2HB ASN 46 -6.515 9.912 -1.290 301 1HD2 ASN 46 1HD2 ASN 46 -9.984 8.365 -0.072 302 2HD2 ASN 46 2HD2 ASN 46 -8.821 9.052 0.996 303 H TYR 47 H TYR 47 -5.943 5.680 -0.776 304 HA TYR 47 HA TYR 47 -4.556 5.653 -3.274 305 1HB TYR 47 1HB TYR 47 -4.530 3.765 -1.621 306 2HB TYR 47 2HB TYR 47 -6.202 3.430 -2.061 307 HD1 TYR 47 1HD TYR 47 -2.721 3.365 -3.228 308 HD2 TYR 47 2HD TYR 47 -6.748 2.371 -4.154 309 HE1 TYR 47 1HE TYR 47 -1.948 1.954 -5.074 310 HE2 TYR 47 2HE TYR 47 -5.974 0.951 -6.002 311 HH TYR 47 HH TYR 47 -3.854 -0.292 -6.615 312 H ASP 48 H ASP 48 -7.956 5.403 -2.321 313 HA ASP 48 HA ASP 48 -9.155 4.547 -4.605 314 1HB ASP 48 1HB ASP 48 -10.021 6.573 -2.574 315 2HB ASP 48 2HB ASP 48 -11.047 6.203 -3.956 316 H ASP 49 H ASP 49 -7.872 7.769 -4.044 317 HA ASP 49 HA ASP 49 -8.934 8.829 -6.503 318 1HB ASP 49 1HB ASP 49 -7.193 9.898 -4.311 319 2HB ASP 49 2HB ASP 49 -7.304 10.762 -5.841 320 H ASP 50 H ASP 50 -5.583 9.035 -5.414 321 HA ASP 50 HA ASP 50 -4.536 9.203 -8.017 322 1HB ASP 50 1HB ASP 50 -3.268 8.821 -5.321 323 2HB ASP 50 2HB ASP 50 -2.305 8.900 -6.793 324 H ARG 51 H ARG 51 -5.225 6.406 -6.120 325 HA ARG 51 HA ARG 51 -4.648 4.236 -6.259 326 1HB ARG 51 1HB ARG 51 -5.009 4.889 -9.158 327 2HB ARG 51 2HB ARG 51 -5.150 3.287 -8.434 328 1HG ARG 51 1HG ARG 51 -6.804 4.637 -6.845 329 2HG ARG 51 2HG ARG 51 -6.986 5.591 -8.321 330 1HD ARG 51 1HD ARG 51 -7.154 2.613 -8.323 331 2HD ARG 51 2HD ARG 51 -8.550 3.619 -7.930 332 HE ARG 51 HE ARG 51 -7.657 4.652 -10.288 333 1HH1 ARG 51 1HH1 ARG 51 -8.466 1.429 -9.234 334 2HH1 ARG 51 2HH1 ARG 51 -9.131 0.936 -10.758 335 1HH2 ARG 51 1HH2 ARG 51 -8.543 4.030 -12.317 336 2HH2 ARG 51 2HH2 ARG 51 -9.214 2.439 -12.510 337 H LYS 52 H LYS 52 -2.387 5.422 -5.750 338 HA LYS 52 HA LYS 52 -0.447 4.188 -7.561 339 1HB LYS 52 1HB LYS 52 -0.163 6.578 -5.725 340 2HB LYS 52 2HB LYS 52 1.212 5.794 -6.496 341 1HG LYS 52 1HG LYS 52 0.676 6.562 -8.578 342 2HG LYS 52 2HG LYS 52 -1.049 6.639 -8.228 343 1HD LYS 52 1HD LYS 52 -0.638 8.607 -6.798 344 2HD LYS 52 2HD LYS 52 1.069 8.555 -7.258 345 1HE LYS 52 1HE LYS 52 0.550 9.011 -9.540 346 2HE LYS 52 2HE LYS 52 -1.174 8.757 -9.266 347 1HZ LYS 52 1HZ LYS 52 -1.080 10.739 -7.755 348 2HZ LYS 52 2HZ LYS 52 0.495 11.039 -8.329 349 3HZ LYS 52 3HZ LYS 52 -0.825 11.075 -9.400 350 H TRP 53 H TRP 53 0.367 2.391 -6.823 351 HA TRP 53 HA TRP 53 0.489 1.973 -3.918 352 1HB TRP 53 1HB TRP 53 -0.312 -0.254 -4.261 353 2HB TRP 53 2HB TRP 53 -1.392 0.848 -5.036 354 HD1 TRP 53 HD1 TRP 53 -0.720 1.166 -7.888 355 HE1 TRP 53 1HE TRP 53 -0.200 -0.783 -9.499 356 HE3 TRP 53 3HE TRP 53 0.391 -2.301 -4.436 357 HZ2 TRP 53 2HZ TRP 53 0.576 -3.522 -9.276 358 HZ3 TRP 53 3HZ TRP 53 1.017 -4.597 -5.162 359 HH2 TRP 53 HH2 TRP 53 1.110 -5.182 -7.539 360 H GLY 54 H GLY 54 1.643 -0.117 -3.438 361 1HA GLY 54 1HA GLY 54 3.774 -1.064 -5.021 362 2HA GLY 54 2HA GLY 54 4.381 0.158 -3.904 363 H PHE 55 H PHE 55 5.012 -2.681 -3.864 364 HA PHE 55 HA PHE 55 3.496 -4.029 -1.934 365 1HB PHE 55 1HB PHE 55 6.313 -4.401 -2.898 366 2HB PHE 55 2HB PHE 55 5.543 -5.479 -1.748 367 HD1 PHE 55 1HD PHE 55 2.924 -4.501 -3.670 368 HD2 PHE 55 2HD PHE 55 6.495 -6.791 -3.967 369 HE1 PHE 55 1HE PHE 55 1.923 -5.817 -5.504 370 HE2 PHE 55 2HE PHE 55 5.494 -8.111 -5.801 371 HZ PHE 55 HZ PHE 55 3.210 -7.603 -6.575 372 H CYS 56 H CYS 56 4.204 -4.794 0.124 373 HA CYS 56 HA CYS 56 5.004 -2.650 1.877 374 1HB CYS 56 1HB CYS 56 3.250 -4.444 2.373 375 2HB CYS 56 2HB CYS 56 4.581 -5.575 2.550 376 HA PRO 57 HA PRO 57 9.340 -3.569 1.748 377 1HB PRO 57 1HB PRO 57 10.184 -2.438 4.017 378 2HB PRO 57 2HB PRO 57 9.570 -1.469 2.666 379 1HG PRO 57 1HG PRO 57 8.072 -2.523 5.017 380 2HG PRO 57 2HG PRO 57 8.203 -0.826 4.514 381 1HD PRO 57 1HD PRO 57 6.075 -2.215 3.804 382 2HD PRO 57 2HD PRO 57 6.889 -1.210 2.580 383 H ASP 58 H ASP 58 10.863 -3.838 4.118 384 HA ASP 58 HA ASP 58 10.864 -6.644 4.394 385 1HB ASP 58 1HB ASP 58 12.840 -5.080 4.719 386 2HB ASP 58 2HB ASP 58 12.170 -4.710 6.306 387 H GLN 59 H GLN 59 9.375 -7.761 5.376 388 HA GLN 59 HA GLN 59 8.126 -6.703 7.817 389 1HB GLN 59 1HB GLN 59 7.128 -8.907 6.005 390 2HB GLN 59 2HB GLN 59 6.256 -8.168 7.338 391 1HG GLN 59 1HG GLN 59 6.025 -6.134 6.168 392 2HG GLN 59 2HG GLN 59 7.168 -6.646 4.927 393 1HE2 GLN 59 1HE2 GLN 59 4.729 -7.981 2.911 394 2HE2 GLN 59 2HE2 GLN 59 6.311 -7.311 3.110 395 H GLY 60 H GLY 60 7.363 -9.895 7.529 396 1HA GLY 60 1HA GLY 60 9.755 -11.017 8.709 397 2HA GLY 60 2HA GLY 60 8.396 -10.867 9.815 Start of MODEL 34 1 H SER 1 1H SER 1 12.233 10.050 8.594 2 HA SER 1 HA SER 1 13.294 9.919 6.733 3 1HB SER 1 1HB SER 1 14.800 7.967 6.276 4 2HB SER 1 2HB SER 1 15.042 8.680 7.872 5 HG SER 1 HG SER 1 14.701 6.742 8.610 6 H TRP 2 H TRP 2 12.883 9.308 4.572 7 HA TRP 2 HA TRP 2 10.377 7.976 4.168 8 1HB TRP 2 1HB TRP 2 10.596 8.554 1.850 9 2HB TRP 2 2HB TRP 2 11.161 9.931 2.787 10 HD1 TRP 2 HD1 TRP 2 14.083 9.779 3.127 11 HE1 TRP 2 1HE TRP 2 15.781 9.391 1.226 12 HE3 TRP 2 3HE TRP 2 10.949 7.683 -0.336 13 HZ2 TRP 2 2HZ TRP 2 15.771 8.354 -1.406 14 HZ3 TRP 2 3HZ TRP 2 11.870 7.034 -2.523 15 HH2 TRP 2 HH2 TRP 2 14.235 7.362 -3.047 16 H MET 3 H MET 3 9.969 6.004 3.271 17 HA MET 3 HA MET 3 12.264 4.182 3.125 18 1HB MET 3 1HB MET 3 9.304 3.635 3.470 19 2HB MET 3 2HB MET 3 10.533 2.386 3.336 20 1HG MET 3 1HG MET 3 11.576 3.149 5.383 21 2HG MET 3 2HG MET 3 10.422 4.476 5.503 22 1HE MET 3 1HE MET 3 10.632 0.873 4.706 23 2HE MET 3 2HE MET 3 9.951 0.075 6.123 24 3HE MET 3 3HE MET 3 8.912 0.485 4.757 25 H SER 4 H SER 4 11.567 2.202 1.580 26 HA SER 4 HA SER 4 10.605 3.375 -0.945 27 1HB SER 4 1HB SER 4 12.912 1.422 -0.729 28 2HB SER 4 2HB SER 4 12.308 2.189 -2.195 29 HG SER 4 HG SER 4 12.879 4.079 -0.387 30 H THR 5 H THR 5 9.706 1.795 -2.433 31 HA THR 5 HA THR 5 8.598 -0.487 -0.967 32 HB THR 5 HB THR 5 6.869 -0.377 -2.862 33 HG1 THR 5 1HG THR 5 7.462 2.327 -3.092 34 1HG2 THR 5 1HG2 THR 5 6.534 2.138 -1.399 35 2HG2 THR 5 2HG2 THR 5 5.469 0.738 -1.528 36 3HG2 THR 5 3HG2 THR 5 6.818 0.715 -0.395 37 H VAL 6 H VAL 6 7.748 -2.153 -2.600 38 HA VAL 6 HA VAL 6 9.705 -2.844 -4.655 39 HB VAL 6 HB VAL 6 10.426 -4.441 -3.195 40 1HG1 VAL 6 1HG1 VAL 6 8.026 -3.704 -1.654 41 2HG1 VAL 6 2HG1 VAL 6 8.657 -5.325 -1.372 42 3HG1 VAL 6 3HG1 VAL 6 9.696 -3.923 -1.125 43 1HG2 VAL 6 1HG2 VAL 6 8.804 -5.634 -4.848 44 2HG2 VAL 6 2HG2 VAL 6 9.524 -6.525 -3.507 45 3HG2 VAL 6 3HG2 VAL 6 7.865 -5.936 -3.385 46 H GLY 7 H GLY 7 8.512 -4.489 -6.202 47 1HA GLY 7 1HA GLY 7 6.561 -4.955 -7.423 48 2HA GLY 7 2HA GLY 7 5.711 -4.758 -5.922 49 H GLY 8 H GLY 8 3.983 -3.705 -6.866 50 1HA GLY 8 1HA GLY 8 2.754 -1.911 -7.584 51 2HA GLY 8 2HA GLY 8 3.931 -0.971 -6.695 52 H ASN 9 H ASN 9 3.709 0.736 -8.129 53 HA ASN 9 HA ASN 9 5.364 0.480 -10.501 54 1HB ASN 9 1HB ASN 9 3.747 1.583 -11.975 55 2HB ASN 9 2HB ASN 9 3.146 0.040 -11.413 56 1HD2 ASN 9 1HD2 ASN 9 1.208 2.531 -9.093 57 2HD2 ASN 9 2HD2 ASN 9 2.803 1.921 -8.841 58 H SER 10 H SER 10 5.222 1.863 -7.797 59 HA SER 10 HA SER 10 5.126 4.659 -8.438 60 1HB SER 10 1HB SER 10 6.183 3.374 -5.920 61 2HB SER 10 2HB SER 10 5.463 4.977 -6.109 62 HG SER 10 HG SER 10 3.738 3.909 -5.476 63 H GLY 11 H GLY 11 7.578 2.176 -8.159 64 1HA GLY 11 1HA GLY 11 9.747 2.260 -8.996 65 2HA GLY 11 2HA GLY 11 9.531 3.971 -9.313 66 H GLY 12 H GLY 12 9.550 5.405 -7.371 67 1HA GLY 12 1HA GLY 12 11.236 4.299 -5.219 68 2HA GLY 12 2HA GLY 12 11.710 5.781 -6.043 69 H ALA 13 H ALA 13 8.763 4.440 -4.557 70 HA ALA 13 HA ALA 13 8.496 6.951 -3.050 71 1HB ALA 13 1HB ALA 13 6.653 5.817 -5.005 72 2HB ALA 13 2HB ALA 13 5.891 6.179 -3.455 73 3HB ALA 13 3HB ALA 13 6.742 7.447 -4.340 74 HA PRO 14 HA PRO 14 7.818 4.142 0.319 75 1HB PRO 14 1HB PRO 14 7.212 5.920 2.229 76 2HB PRO 14 2HB PRO 14 8.833 5.852 1.521 77 1HG PRO 14 1HG PRO 14 6.628 7.798 1.027 78 2HG PRO 14 2HG PRO 14 8.379 8.067 1.055 79 1HD PRO 14 1HD PRO 14 6.788 7.738 -1.228 80 2HD PRO 14 2HD PRO 14 8.554 7.647 -1.169 81 H CYS 15 H CYS 15 6.097 3.738 2.086 82 HA CYS 15 HA CYS 15 3.488 3.745 0.784 83 1HB CYS 15 1HB CYS 15 4.190 2.687 3.544 84 2HB CYS 15 2HB CYS 15 2.777 2.286 2.580 85 H VAL 16 H VAL 16 1.896 5.202 1.269 86 HA VAL 16 HA VAL 16 2.431 7.102 3.430 87 HB VAL 16 HB VAL 16 0.390 7.211 1.190 88 1HG1 VAL 16 1HG1 VAL 16 1.041 9.281 3.297 89 2HG1 VAL 16 2HG1 VAL 16 -0.038 9.512 1.922 90 3HG1 VAL 16 3HG1 VAL 16 -0.456 8.351 3.181 91 1HG2 VAL 16 1HG2 VAL 16 3.092 7.711 1.109 92 2HG2 VAL 16 2HG2 VAL 16 1.891 8.325 -0.026 93 3HG2 VAL 16 3HG2 VAL 16 2.395 9.312 1.352 94 H PHE 17 H PHE 17 1.672 6.451 5.346 95 HA PHE 17 HA PHE 17 -0.925 5.089 5.429 96 1HB PHE 17 1HB PHE 17 1.415 5.060 7.335 97 2HB PHE 17 2HB PHE 17 -0.142 4.353 7.710 98 HD1 PHE 17 1HD PHE 17 -0.207 3.621 4.497 99 HD2 PHE 17 2HD PHE 17 2.207 2.730 7.874 100 HE1 PHE 17 1HE PHE 17 0.529 1.538 3.420 101 HE2 PHE 17 2HE PHE 17 2.952 0.645 6.820 102 HZ PHE 17 HZ PHE 17 2.128 0.022 4.575 103 HA PRO 18 HA PRO 18 -2.354 4.564 6.734 104 1HB PRO 18 1HB PRO 18 -4.991 5.591 7.080 105 2HB PRO 18 2HB PRO 18 -4.070 4.605 8.215 106 1HG PRO 18 1HG PRO 18 -4.807 7.254 8.614 107 2HG PRO 18 2HG PRO 18 -3.539 6.394 9.502 108 1HD PRO 18 1HD PRO 18 -3.295 8.321 7.232 109 2HD PRO 18 2HD PRO 18 -2.221 8.064 8.621 110 H PHE 19 H PHE 19 -3.082 3.771 4.777 111 HA PHE 19 HA PHE 19 -3.983 5.811 2.847 112 1HB PHE 19 1HB PHE 19 -3.226 4.439 1.058 113 2HB PHE 19 2HB PHE 19 -1.916 4.550 2.220 114 HD1 PHE 19 1HD PHE 19 -1.413 2.584 3.671 115 HD2 PHE 19 2HD PHE 19 -4.165 2.364 0.437 116 HE1 PHE 19 1HE PHE 19 -1.205 0.130 3.655 117 HE2 PHE 19 2HE PHE 19 -3.967 -0.078 0.416 118 HZ PHE 19 HZ PHE 19 -2.468 -1.200 2.026 119 H THR 20 H THR 20 -5.934 5.615 1.885 120 HA THR 20 HA THR 20 -7.614 3.477 2.975 121 HB THR 20 HB THR 20 -8.394 6.000 1.455 122 HG1 THR 20 1HG THR 20 -7.426 6.418 3.509 123 1HG2 THR 20 1HG2 THR 20 -10.419 5.093 3.222 124 2HG2 THR 20 2HG2 THR 20 -10.485 5.300 1.471 125 3HG2 THR 20 3HG2 THR 20 -9.965 3.761 2.159 126 H PHE 21 H PHE 21 -8.057 1.770 1.843 127 HA PHE 21 HA PHE 21 -7.920 1.933 -1.107 128 1HB PHE 21 1HB PHE 21 -6.248 0.373 0.060 129 2HB PHE 21 2HB PHE 21 -7.635 -0.577 0.548 130 HD1 PHE 21 1HD PHE 21 -6.090 0.832 -2.527 131 HD2 PHE 21 2HD PHE 21 -8.394 -2.297 -0.808 132 HE1 PHE 21 1HE PHE 21 -5.941 -0.419 -4.620 133 HE2 PHE 21 2HE PHE 21 -8.246 -3.552 -2.908 134 HZ PHE 21 HZ PHE 21 -7.023 -2.625 -4.824 135 H LEU 22 H LEU 22 -9.619 1.314 -2.184 136 HA LEU 22 HA LEU 22 -11.835 1.079 -2.563 137 1HB LEU 22 1HB LEU 22 -10.436 -1.362 -1.677 138 2HB LEU 22 2HB LEU 22 -12.109 -1.494 -2.185 139 HG LEU 22 HG LEU 22 -10.440 -1.966 -3.967 140 1HD1 LEU 22 1HD1 LEU 22 -12.693 -0.239 -3.974 141 2HD1 LEU 22 2HD1 LEU 22 -11.566 0.173 -5.269 142 3HD1 LEU 22 3HD1 LEU 22 -12.207 -1.468 -5.146 143 1HD2 LEU 22 1HD2 LEU 22 -8.861 -0.167 -3.268 144 2HD2 LEU 22 2HD2 LEU 22 -9.221 -0.247 -4.993 145 3HD2 LEU 22 3HD2 LEU 22 -9.992 0.981 -3.986 146 H GLY 23 H GLY 23 -11.809 2.389 -0.216 147 1HA GLY 23 1HA GLY 23 -13.710 2.925 1.104 148 2HA GLY 23 2HA GLY 23 -14.187 1.245 1.047 149 H ASN 24 H ASN 24 -11.073 0.820 1.983 150 HA ASN 24 HA ASN 24 -11.852 1.177 4.812 151 1HB ASN 24 1HB ASN 24 -9.918 -0.861 3.709 152 2HB ASN 24 2HB ASN 24 -10.598 -0.792 5.326 153 1HD2 ASN 24 1HD2 ASN 24 -12.402 -2.892 2.538 154 2HD2 ASN 24 2HD2 ASN 24 -10.767 -2.337 2.489 155 H LYS 25 H LYS 25 -10.198 1.583 6.370 156 HA LYS 25 HA LYS 25 -8.126 3.355 5.412 157 1HB LYS 25 1HB LYS 25 -9.050 2.618 8.198 158 2HB LYS 25 2HB LYS 25 -7.963 3.911 7.781 159 1HG LYS 25 1HG LYS 25 -10.821 3.760 6.900 160 2HG LYS 25 2HG LYS 25 -10.236 4.689 8.285 161 1HD LYS 25 1HD LYS 25 -8.750 5.935 6.731 162 2HD LYS 25 2HD LYS 25 -9.504 5.081 5.383 163 1HE LYS 25 1HE LYS 25 -10.901 6.888 7.356 164 2HE LYS 25 2HE LYS 25 -10.489 7.296 5.691 165 1HZ LYS 25 1HZ LYS 25 -11.999 4.878 5.795 166 2HZ LYS 25 2HZ LYS 25 -12.827 6.121 6.595 167 3HZ LYS 25 3HZ LYS 25 -12.339 6.330 4.980 168 H TYR 26 H TYR 26 -6.028 2.574 5.158 169 HA TYR 26 HA TYR 26 -5.350 0.160 6.691 170 1HB TYR 26 1HB TYR 26 -4.254 1.067 4.027 171 2HB TYR 26 2HB TYR 26 -3.774 -0.382 4.901 172 HD1 TYR 26 1HD TYR 26 -6.673 1.272 3.298 173 HD2 TYR 26 2HD TYR 26 -4.955 -2.363 4.639 174 HE1 TYR 26 1HE TYR 26 -8.485 0.030 2.228 175 HE2 TYR 26 2HE TYR 26 -6.754 -3.624 3.562 176 HH TYR 26 HH TYR 26 -8.484 -2.919 1.399 177 H GLU 27 H GLU 27 -4.149 0.622 8.295 178 HA GLU 27 HA GLU 27 -2.341 2.895 8.283 179 1HB GLU 27 1HB GLU 27 -2.950 0.956 10.498 180 2HB GLU 27 2HB GLU 27 -2.194 2.523 10.640 181 1HG GLU 27 1HG GLU 27 -4.261 3.604 9.935 182 2HG GLU 27 2HG GLU 27 -5.028 2.027 9.777 183 H SER 28 H SER 28 -2.248 -0.332 7.561 184 HA SER 28 HA SER 28 0.653 -0.375 7.682 185 1HB SER 28 1HB SER 28 0.354 -2.860 8.295 186 2HB SER 28 2HB SER 28 0.144 -1.679 9.579 187 HG SER 28 HG SER 28 -1.580 -3.022 9.735 188 H CYS 29 H CYS 29 0.973 -2.919 6.554 189 HA CYS 29 HA CYS 29 0.251 -2.357 3.857 190 1HB CYS 29 1HB CYS 29 1.445 -4.842 5.075 191 2HB CYS 29 2HB CYS 29 1.261 -4.557 3.359 192 H THR 30 H THR 30 -0.778 -4.056 2.496 193 HA THR 30 HA THR 30 -2.877 -5.574 3.833 194 HB THR 30 HB THR 30 -3.905 -3.329 3.383 195 HG1 THR 30 1HG THR 30 -5.364 -4.918 3.294 196 1HG2 THR 30 1HG2 THR 30 -3.943 -3.809 0.474 197 2HG2 THR 30 2HG2 THR 30 -3.939 -2.293 1.378 198 3HG2 THR 30 3HG2 THR 30 -2.436 -3.191 1.146 199 H SER 31 H SER 31 -4.172 -6.745 2.069 200 HA SER 31 HA SER 31 -2.448 -7.469 -0.189 201 1HB SER 31 1HB SER 31 -3.319 -9.838 0.120 202 2HB SER 31 2HB SER 31 -2.208 -9.273 1.379 203 HG SER 31 HG SER 31 -4.939 -9.839 1.518 204 H ALA 32 H ALA 32 -4.751 -5.711 0.457 205 HA ALA 32 HA ALA 32 -7.154 -6.621 -0.640 206 1HB ALA 32 1HB ALA 32 -6.608 -4.516 0.792 207 2HB ALA 32 2HB ALA 32 -6.294 -3.749 -0.767 208 3HB ALA 32 3HB ALA 32 -7.889 -4.411 -0.418 209 H GLY 33 H GLY 33 -8.045 -6.575 -2.595 210 1HA GLY 33 1HA GLY 33 -8.255 -6.315 -4.863 211 2HA GLY 33 2HA GLY 33 -6.933 -5.160 -4.798 212 H ARG 34 H ARG 34 -5.758 -7.872 -3.336 213 HA ARG 34 HA ARG 34 -4.555 -8.728 -5.873 214 1HB ARG 34 1HB ARG 34 -3.528 -9.253 -3.088 215 2HB ARG 34 2HB ARG 34 -2.698 -9.531 -4.599 216 1HG ARG 34 1HG ARG 34 -3.175 -6.911 -4.860 217 2HG ARG 34 2HG ARG 34 -3.080 -7.030 -3.101 218 1HD ARG 34 1HD ARG 34 -0.880 -6.551 -4.140 219 2HD ARG 34 2HD ARG 34 -0.891 -8.078 -3.245 220 HE ARG 34 HE ARG 34 -0.537 -9.202 -5.209 221 1HH1 ARG 34 1HH1 ARG 34 -1.533 -5.922 -5.958 222 2HH1 ARG 34 2HH1 ARG 34 -1.310 -6.100 -7.670 223 1HH2 ARG 34 1HH2 ARG 34 -0.179 -9.425 -7.451 224 2HH2 ARG 34 2HH2 ARG 34 -0.498 -8.088 -8.513 225 H SER 35 H SER 35 -4.472 -10.817 -6.487 226 HA SER 35 HA SER 35 -6.188 -12.684 -4.992 227 1HB SER 35 1HB SER 35 -5.449 -12.754 -7.932 228 2HB SER 35 2HB SER 35 -6.607 -13.801 -7.113 229 HG SER 35 HG SER 35 -8.050 -12.231 -7.094 230 H ASP 36 H ASP 36 -3.004 -11.999 -5.469 231 HA ASP 36 HA ASP 36 -2.149 -14.758 -5.741 232 1HB ASP 36 1HB ASP 36 0.186 -13.582 -5.467 233 2HB ASP 36 2HB ASP 36 -0.668 -13.557 -6.997 234 H GLY 37 H GLY 37 -0.633 -12.381 -3.743 235 1HA GLY 37 1HA GLY 37 -1.458 -13.119 -1.237 236 2HA GLY 37 2HA GLY 37 -0.176 -14.244 -1.640 237 H LYS 38 H LYS 38 0.764 -11.640 -3.306 238 HA LYS 38 HA LYS 38 2.734 -10.901 -1.367 239 1HB LYS 38 1HB LYS 38 2.154 -9.190 -3.744 240 2HB LYS 38 2HB LYS 38 3.702 -9.656 -3.057 241 1HG LYS 38 1HG LYS 38 1.895 -11.504 -4.572 242 2HG LYS 38 2HG LYS 38 3.229 -10.623 -5.276 243 1HD LYS 38 1HD LYS 38 4.764 -11.723 -3.667 244 2HD LYS 38 2HD LYS 38 3.398 -12.679 -3.081 245 1HE LYS 38 1HE LYS 38 3.124 -13.709 -5.243 246 2HE LYS 38 2HE LYS 38 4.356 -12.664 -5.944 247 1HZ LYS 38 1HZ LYS 38 5.295 -14.170 -3.670 248 2HZ LYS 38 2HZ LYS 38 4.778 -15.153 -4.956 249 3HZ LYS 38 3HZ LYS 38 5.985 -13.983 -5.212 250 H MET 39 H MET 39 2.252 -9.564 0.334 251 HA MET 39 HA MET 39 -0.017 -7.831 0.203 252 1HB MET 39 1HB MET 39 2.190 -7.811 2.276 253 2HB MET 39 2HB MET 39 0.588 -7.115 2.421 254 1HG MET 39 1HG MET 39 0.439 -9.055 3.664 255 2HG MET 39 2HG MET 39 -0.283 -9.492 2.116 256 1HE MET 39 1HE MET 39 0.235 -11.511 3.985 257 2HE MET 39 2HE MET 39 0.309 -12.438 2.485 258 3HE MET 39 3HE MET 39 1.588 -12.605 3.685 259 H TRP 40 H TRP 40 0.018 -5.537 0.218 260 HA TRP 40 HA TRP 40 2.547 -4.295 -0.641 261 1HB TRP 40 1HB TRP 40 1.298 -3.058 -2.394 262 2HB TRP 40 2HB TRP 40 1.323 -4.795 -2.686 263 HD1 TRP 40 HD1 TRP 40 -1.079 -6.084 -1.743 264 HE1 TRP 40 1HE TRP 40 -3.493 -5.225 -1.976 265 HE3 TRP 40 3HE TRP 40 -0.113 -1.150 -2.614 266 HZ2 TRP 40 2HZ TRP 40 -4.803 -2.780 -2.425 267 HZ3 TRP 40 3HZ TRP 40 -2.004 0.387 -2.903 268 HH2 TRP 40 HH2 TRP 40 -4.298 -0.415 -2.816 269 H CYS 41 H CYS 41 1.523 -1.787 -1.197 270 HA CYS 41 HA CYS 41 -0.084 -0.765 0.970 271 1HB CYS 41 1HB CYS 41 1.630 0.643 1.952 272 2HB CYS 41 2HB CYS 41 2.222 -1.017 1.990 273 H ALA 42 H ALA 42 -0.623 1.516 0.550 274 HA ALA 42 HA ALA 42 -0.253 2.172 -2.272 275 1HB ALA 42 1HB ALA 42 -2.496 2.368 -1.035 276 2HB ALA 42 2HB ALA 42 -1.818 3.839 -0.333 277 3HB ALA 42 3HB ALA 42 -2.003 3.703 -2.080 278 H THR 43 H THR 43 0.767 4.033 -2.989 279 HA THR 43 HA THR 43 2.596 5.182 -1.019 280 HB THR 43 HB THR 43 3.970 5.812 -2.945 281 HG1 THR 43 1HG THR 43 2.792 6.155 -4.681 282 1HG2 THR 43 1HG2 THR 43 3.006 2.985 -3.281 283 2HG2 THR 43 2HG2 THR 43 4.603 3.630 -3.665 284 3HG2 THR 43 3HG2 THR 43 4.080 3.506 -1.984 285 H THR 44 H THR 44 -0.292 5.820 -1.749 286 HA THR 44 HA THR 44 0.017 8.723 -1.646 287 HB THR 44 HB THR 44 -2.031 8.929 -3.105 288 HG1 THR 44 1HG THR 44 -3.018 7.124 -3.493 289 1HG2 THR 44 1HG2 THR 44 0.205 7.552 -4.559 290 2HG2 THR 44 2HG2 THR 44 -0.944 8.730 -5.198 291 3HG2 THR 44 3HG2 THR 44 0.270 9.231 -4.022 292 H ALA 45 H ALA 45 -1.608 9.741 -0.380 293 HA ALA 45 HA ALA 45 -2.537 8.366 1.835 294 1HB ALA 45 1HB ALA 45 -3.027 11.007 0.657 295 2HB ALA 45 2HB ALA 45 -4.325 10.414 1.692 296 3HB ALA 45 3HB ALA 45 -2.685 10.546 2.324 297 H ASN 46 H ASN 46 -4.357 9.219 -1.085 298 HA ASN 46 HA ASN 46 -6.345 7.207 -0.314 299 1HB ASN 46 1HB ASN 46 -7.286 9.512 -0.453 300 2HB ASN 46 2HB ASN 46 -6.771 9.593 -2.140 301 1HD2 ASN 46 1HD2 ASN 46 -10.255 7.978 -1.194 302 2HD2 ASN 46 2HD2 ASN 46 -9.279 8.892 -0.107 303 H TYR 47 H TYR 47 -5.987 5.419 -1.378 304 HA TYR 47 HA TYR 47 -4.417 5.313 -3.751 305 1HB TYR 47 1HB TYR 47 -4.470 3.493 -2.056 306 2HB TYR 47 2HB TYR 47 -6.110 3.116 -2.567 307 HD1 TYR 47 1HD TYR 47 -2.576 3.028 -3.509 308 HD2 TYR 47 2HD TYR 47 -6.527 1.989 -4.672 309 HE1 TYR 47 1HE TYR 47 -1.673 1.549 -5.240 310 HE2 TYR 47 2HE TYR 47 -5.628 0.502 -6.410 311 HH TYR 47 HH TYR 47 -3.070 -0.783 -6.581 312 H ASP 48 H ASP 48 -7.894 4.996 -3.110 313 HA ASP 48 HA ASP 48 -8.802 4.051 -5.507 314 1HB ASP 48 1HB ASP 48 -9.995 6.058 -3.624 315 2HB ASP 48 2HB ASP 48 -10.835 5.590 -5.094 316 H ASP 49 H ASP 49 -7.753 7.337 -4.829 317 HA ASP 49 HA ASP 49 -8.648 8.345 -7.360 318 1HB ASP 49 1HB ASP 49 -7.078 9.493 -5.080 319 2HB ASP 49 2HB ASP 49 -7.175 10.353 -6.610 320 H ASP 50 H ASP 50 -5.363 8.356 -5.992 321 HA ASP 50 HA ASP 50 -4.170 8.670 -8.566 322 1HB ASP 50 1HB ASP 50 -3.043 8.267 -5.807 323 2HB ASP 50 2HB ASP 50 -2.015 8.356 -7.230 324 H ARG 51 H ARG 51 -4.886 5.879 -6.646 325 HA ARG 51 HA ARG 51 -4.296 3.718 -6.756 326 1HB ARG 51 1HB ARG 51 -4.492 4.318 -9.678 327 2HB ARG 51 2HB ARG 51 -4.666 2.731 -8.927 328 1HG ARG 51 1HG ARG 51 -6.435 4.070 -7.476 329 2HG ARG 51 2HG ARG 51 -6.519 5.033 -8.955 330 1HD ARG 51 1HD ARG 51 -6.718 2.048 -8.891 331 2HD ARG 51 2HD ARG 51 -8.117 3.120 -8.762 332 HE ARG 51 HE ARG 51 -6.655 3.899 -11.014 333 1HH1 ARG 51 1HH1 ARG 51 -8.529 1.152 -9.947 334 2HH1 ARG 51 2HH1 ARG 51 -9.050 0.732 -11.543 335 1HH2 ARG 51 1HH2 ARG 51 -7.306 3.347 -13.097 336 2HH2 ARG 51 2HH2 ARG 51 -8.338 1.973 -13.352 337 H LYS 52 H LYS 52 -2.070 4.941 -6.137 338 HA LYS 52 HA LYS 52 -0.046 3.681 -7.841 339 1HB LYS 52 1HB LYS 52 0.212 6.094 -6.016 340 2HB LYS 52 2HB LYS 52 1.566 5.323 -6.841 341 1HG LYS 52 1HG LYS 52 0.860 6.020 -8.935 342 2HG LYS 52 2HG LYS 52 -0.798 6.289 -8.398 343 1HD LYS 52 1HD LYS 52 0.014 8.195 -7.035 344 2HD LYS 52 2HD LYS 52 1.626 7.950 -7.716 345 1HE LYS 52 1HE LYS 52 0.868 8.472 -9.913 346 2HE LYS 52 2HE LYS 52 -0.821 8.429 -9.409 347 1HZ LYS 52 1HZ LYS 52 -0.422 10.387 -8.034 348 2HZ LYS 52 2HZ LYS 52 1.200 10.437 -8.540 349 3HZ LYS 52 3HZ LYS 52 -0.052 10.696 -9.661 350 H TRP 53 H TRP 53 0.710 1.890 -7.013 351 HA TRP 53 HA TRP 53 0.719 1.593 -4.091 352 1HB TRP 53 1HB TRP 53 -0.006 -0.693 -4.409 353 2HB TRP 53 2HB TRP 53 -1.118 0.389 -5.154 354 HD1 TRP 53 HD1 TRP 53 -0.651 0.674 -8.010 355 HE1 TRP 53 1HE TRP 53 -0.096 -1.252 -9.636 356 HE3 TRP 53 3HE TRP 53 0.910 -2.672 -4.610 357 HZ2 TRP 53 2HZ TRP 53 0.889 -3.924 -9.440 358 HZ3 TRP 53 3HZ TRP 53 1.659 -4.930 -5.357 359 HH2 TRP 53 HH2 TRP 53 1.644 -5.529 -7.732 360 H GLY 54 H GLY 54 1.942 -0.270 -3.347 361 1HA GLY 54 1HA GLY 54 4.209 -1.183 -4.885 362 2HA GLY 54 2HA GLY 54 4.635 -0.077 -3.581 363 H PHE 55 H PHE 55 4.929 -3.073 -4.118 364 HA PHE 55 HA PHE 55 3.455 -4.563 -2.289 365 1HB PHE 55 1HB PHE 55 6.090 -4.882 -3.664 366 2HB PHE 55 2HB PHE 55 5.669 -5.996 -2.375 367 HD1 PHE 55 1HD PHE 55 2.592 -5.654 -3.240 368 HD2 PHE 55 2HD PHE 55 6.193 -6.824 -5.185 369 HE1 PHE 55 1HE PHE 55 1.293 -7.075 -4.785 370 HE2 PHE 55 2HE PHE 55 4.899 -8.252 -6.724 371 HZ PHE 55 HZ PHE 55 2.452 -8.360 -6.532 372 H CYS 56 H CYS 56 4.148 -5.529 -0.327 373 HA CYS 56 HA CYS 56 5.402 -3.616 1.474 374 1HB CYS 56 1HB CYS 56 3.185 -4.875 1.912 375 2HB CYS 56 2HB CYS 56 4.188 -6.291 2.179 376 HA PRO 57 HA PRO 57 9.309 -5.771 1.695 377 1HB PRO 57 1HB PRO 57 10.055 -5.281 4.213 378 2HB PRO 57 2HB PRO 57 10.049 -4.021 2.970 379 1HG PRO 57 1HG PRO 57 7.921 -4.701 4.946 380 2HG PRO 57 2HG PRO 57 8.661 -3.113 4.652 381 1HD PRO 57 1HD PRO 57 6.324 -3.703 3.560 382 2HD PRO 57 2HD PRO 57 7.569 -2.895 2.576 383 H ASP 58 H ASP 58 9.408 -6.400 4.809 384 HA ASP 58 HA ASP 58 9.453 -9.185 4.608 385 1HB ASP 58 1HB ASP 58 10.544 -8.020 6.454 386 2HB ASP 58 2HB ASP 58 8.979 -7.492 7.067 387 H GLN 59 H GLN 59 7.754 -10.270 3.866 388 HA GLN 59 HA GLN 59 5.073 -9.648 4.847 389 1HB GLN 59 1HB GLN 59 6.029 -11.445 2.616 390 2HB GLN 59 2HB GLN 59 4.343 -11.204 3.035 391 1HG GLN 59 1HG GLN 59 4.443 -8.917 2.392 392 2HG GLN 59 2HG GLN 59 6.195 -8.995 2.204 393 1HE2 GLN 59 1HE2 GLN 59 5.880 -9.665 -1.159 394 2HE2 GLN 59 2HE2 GLN 59 6.663 -8.822 0.132 395 H GLY 60 H GLY 60 7.622 -11.678 5.536 396 1HA GLY 60 1HA GLY 60 7.191 -13.012 7.606 397 2HA GLY 60 2HA GLY 60 5.807 -13.667 6.741 Start of MODEL 35 1 H SER 1 1H SER 1 16.604 -0.524 2.185 2 HA SER 1 HA SER 1 18.468 1.094 2.463 3 1HB SER 1 1HB SER 1 19.193 1.860 0.070 4 2HB SER 1 2HB SER 1 20.002 0.482 0.815 5 HG SER 1 HG SER 1 19.301 0.180 -1.414 6 H TRP 2 H TRP 2 17.160 2.700 2.990 7 HA TRP 2 HA TRP 2 15.685 4.409 2.864 8 1HB TRP 2 1HB TRP 2 16.555 5.090 0.746 9 2HB TRP 2 2HB TRP 2 15.743 3.770 -0.087 10 HD1 TRP 2 HD1 TRP 2 13.406 4.276 -1.070 11 HE1 TRP 2 1HE TRP 2 11.793 6.281 -0.994 12 HE3 TRP 2 3HE TRP 2 15.783 7.073 2.474 13 HZ2 TRP 2 2HZ TRP 2 11.564 8.730 0.392 14 HZ3 TRP 2 3HZ TRP 2 14.799 9.234 3.136 15 HH2 TRP 2 HH2 TRP 2 12.731 10.039 2.114 16 H MET 3 H MET 3 13.461 4.723 3.026 17 HA MET 3 HA MET 3 11.960 2.317 3.380 18 1HB MET 3 1HB MET 3 10.167 3.827 4.178 19 2HB MET 3 2HB MET 3 11.696 4.099 4.986 20 1HG MET 3 1HG MET 3 12.076 6.092 3.656 21 2HG MET 3 2HG MET 3 10.610 5.777 2.733 22 1HE MET 3 1HE MET 3 10.540 8.191 3.163 23 2HE MET 3 2HE MET 3 9.204 8.699 4.200 24 3HE MET 3 3HE MET 3 10.870 8.879 4.753 25 H SER 4 H SER 4 12.374 2.021 0.868 26 HA SER 4 HA SER 4 10.289 3.278 -0.719 27 1HB SER 4 1HB SER 4 11.641 1.441 -2.297 28 2HB SER 4 2HB SER 4 11.990 3.169 -2.205 29 HG SER 4 HG SER 4 13.877 2.041 -1.765 30 H THR 5 H THR 5 9.319 1.658 -2.402 31 HA THR 5 HA THR 5 8.194 -0.581 -0.879 32 HB THR 5 HB THR 5 6.413 -0.319 -2.806 33 HG1 THR 5 1HG THR 5 7.128 2.380 -2.623 34 1HG2 THR 5 1HG2 THR 5 5.856 1.951 -1.221 35 2HG2 THR 5 2HG2 THR 5 5.141 0.341 -1.142 36 3HG2 THR 5 3HG2 THR 5 6.577 0.715 -0.187 37 H VAL 6 H VAL 6 7.282 -2.299 -2.369 38 HA VAL 6 HA VAL 6 9.223 -3.011 -4.490 39 HB VAL 6 HB VAL 6 7.596 -5.225 -3.575 40 1HG1 VAL 6 1HG1 VAL 6 9.969 -4.938 -4.794 41 2HG1 VAL 6 2HG1 VAL 6 10.505 -5.286 -3.150 42 3HG1 VAL 6 3HG1 VAL 6 9.446 -6.419 -3.988 43 1HG2 VAL 6 1HG2 VAL 6 8.168 -3.612 -1.454 44 2HG2 VAL 6 2HG2 VAL 6 7.882 -5.349 -1.366 45 3HG2 VAL 6 3HG2 VAL 6 9.532 -4.736 -1.442 46 H GLY 7 H GLY 7 7.736 -5.009 -5.646 47 1HA GLY 7 1HA GLY 7 6.168 -5.142 -7.381 48 2HA GLY 7 2HA GLY 7 5.091 -4.881 -6.039 49 H GLY 8 H GLY 8 3.608 -3.543 -6.544 50 1HA GLY 8 1HA GLY 8 2.466 -1.854 -7.629 51 2HA GLY 8 2HA GLY 8 3.565 -0.939 -6.632 52 H ASN 9 H ASN 9 3.793 0.797 -7.832 53 HA ASN 9 HA ASN 9 5.481 0.637 -10.166 54 1HB ASN 9 1HB ASN 9 4.015 2.050 -11.579 55 2HB ASN 9 2HB ASN 9 3.350 0.454 -11.306 56 1HD2 ASN 9 1HD2 ASN 9 1.283 2.604 -8.776 57 2HD2 ASN 9 2HD2 ASN 9 2.843 1.911 -8.511 58 H SER 10 H SER 10 5.524 1.633 -7.432 59 HA SER 10 HA SER 10 5.512 4.515 -7.602 60 1HB SER 10 1HB SER 10 6.578 3.959 -5.199 61 2HB SER 10 2HB SER 10 4.845 3.942 -5.490 62 HG SER 10 HG SER 10 6.165 1.982 -4.537 63 H GLY 11 H GLY 11 7.853 1.887 -7.559 64 1HA GLY 11 1HA GLY 11 10.067 1.987 -8.322 65 2HA GLY 11 2HA GLY 11 9.933 3.740 -8.396 66 H GLY 12 H GLY 12 9.894 4.896 -6.293 67 1HA GLY 12 1HA GLY 12 11.268 3.407 -4.161 68 2HA GLY 12 2HA GLY 12 11.975 4.901 -4.759 69 H ALA 13 H ALA 13 8.532 4.790 -4.689 70 HA ALA 13 HA ALA 13 8.500 6.852 -2.663 71 1HB ALA 13 1HB ALA 13 6.745 5.939 -4.750 72 2HB ALA 13 2HB ALA 13 5.869 6.123 -3.232 73 3HB ALA 13 3HB ALA 13 6.773 7.484 -3.900 74 HA PRO 14 HA PRO 14 7.525 4.078 0.641 75 1HB PRO 14 1HB PRO 14 6.963 5.942 2.535 76 2HB PRO 14 2HB PRO 14 8.604 5.586 1.987 77 1HG PRO 14 1HG PRO 14 6.895 7.926 1.421 78 2HG PRO 14 2HG PRO 14 8.655 7.792 1.401 79 1HD PRO 14 1HD PRO 14 6.901 7.775 -0.827 80 2HD PRO 14 2HD PRO 14 8.648 7.486 -0.835 81 H CYS 15 H CYS 15 5.723 3.578 2.156 82 HA CYS 15 HA CYS 15 3.193 3.924 0.813 83 1HB CYS 15 1HB CYS 15 3.411 2.728 3.556 84 2HB CYS 15 2HB CYS 15 2.353 2.274 2.230 85 H VAL 16 H VAL 16 1.503 5.234 1.453 86 HA VAL 16 HA VAL 16 2.067 7.130 3.618 87 HB VAL 16 HB VAL 16 -0.095 7.215 1.500 88 1HG1 VAL 16 1HG1 VAL 16 0.687 9.209 3.623 89 2HG1 VAL 16 2HG1 VAL 16 -0.340 9.594 2.243 90 3HG1 VAL 16 3HG1 VAL 16 -0.870 8.403 3.432 91 1HG2 VAL 16 1HG2 VAL 16 2.684 8.098 1.565 92 2HG2 VAL 16 2HG2 VAL 16 1.597 7.875 0.193 93 3HG2 VAL 16 3HG2 VAL 16 1.549 9.374 1.122 94 H PHE 17 H PHE 17 1.409 6.391 5.553 95 HA PHE 17 HA PHE 17 -1.189 5.039 5.685 96 1HB PHE 17 1HB PHE 17 1.214 4.886 7.495 97 2HB PHE 17 2HB PHE 17 -0.351 4.192 7.888 98 HD1 PHE 17 1HD PHE 17 -1.297 2.817 5.636 99 HD2 PHE 17 2HD PHE 17 2.726 3.312 6.908 100 HE1 PHE 17 1HE PHE 17 -0.659 0.749 4.468 101 HE2 PHE 17 2HE PHE 17 3.377 1.262 5.743 102 HZ PHE 17 HZ PHE 17 1.678 -0.050 4.494 103 HA PRO 18 HA PRO 18 -2.612 4.544 6.814 104 1HB PRO 18 1HB PRO 18 -5.186 5.438 7.456 105 2HB PRO 18 2HB PRO 18 -4.122 4.493 8.494 106 1HG PRO 18 1HG PRO 18 -4.971 7.155 8.916 107 2HG PRO 18 2HG PRO 18 -3.729 6.281 9.824 108 1HD PRO 18 1HD PRO 18 -3.427 8.259 7.619 109 2HD PRO 18 2HD PRO 18 -2.344 7.912 8.986 110 H PHE 19 H PHE 19 -3.318 4.019 4.805 111 HA PHE 19 HA PHE 19 -4.393 6.237 3.209 112 1HB PHE 19 1HB PHE 19 -3.899 4.976 1.210 113 2HB PHE 19 2HB PHE 19 -2.464 5.077 2.208 114 HD1 PHE 19 1HD PHE 19 -1.756 3.035 3.520 115 HD2 PHE 19 2HD PHE 19 -4.760 2.924 0.508 116 HE1 PHE 19 1HE PHE 19 -1.453 0.602 3.304 117 HE2 PHE 19 2HE PHE 19 -4.461 0.496 0.291 118 HZ PHE 19 HZ PHE 19 -2.808 -0.667 1.690 119 H THR 20 H THR 20 -5.863 4.831 1.324 120 HA THR 20 HA THR 20 -7.785 3.289 2.874 121 HB THR 20 HB THR 20 -8.502 5.871 1.457 122 HG1 THR 20 1HG THR 20 -7.741 5.398 3.945 123 1HG2 THR 20 1HG2 THR 20 -10.670 5.122 2.975 124 2HG2 THR 20 2HG2 THR 20 -10.544 5.052 1.217 125 3HG2 THR 20 3HG2 THR 20 -10.172 3.626 2.185 126 H PHE 21 H PHE 21 -8.553 1.683 1.787 127 HA PHE 21 HA PHE 21 -8.658 1.831 -1.155 128 1HB PHE 21 1HB PHE 21 -6.727 0.405 -0.111 129 2HB PHE 21 2HB PHE 21 -8.011 -0.706 0.316 130 HD1 PHE 21 1HD PHE 21 -8.678 1.003 -2.781 131 HD2 PHE 21 2HD PHE 21 -6.619 -2.278 -1.030 132 HE1 PHE 21 1HE PHE 21 -8.512 -0.083 -4.966 133 HE2 PHE 21 2HE PHE 21 -6.446 -3.359 -3.209 134 HZ PHE 21 HZ PHE 21 -7.385 -2.256 -5.210 135 H LEU 22 H LEU 22 -10.448 0.774 -2.013 136 HA LEU 22 HA LEU 22 -12.657 0.415 -2.099 137 1HB LEU 22 1HB LEU 22 -11.499 -1.761 -0.464 138 2HB LEU 22 2HB LEU 22 -13.048 -1.896 -1.280 139 HG LEU 22 HG LEU 22 -11.859 -2.741 -2.985 140 1HD1 LEU 22 1HD1 LEU 22 -11.706 -0.021 -3.341 141 2HD1 LEU 22 2HD1 LEU 22 -10.146 -0.694 -3.798 142 3HD1 LEU 22 3HD1 LEU 22 -11.621 -1.293 -4.561 143 1HD2 LEU 22 1HD2 LEU 22 -9.842 -2.393 -1.096 144 2HD2 LEU 22 2HD2 LEU 22 -10.016 -3.625 -2.342 145 3HD2 LEU 22 3HD2 LEU 22 -9.211 -2.104 -2.721 146 H GLY 23 H GLY 23 -12.137 2.265 0.013 147 1HA GLY 23 1HA GLY 23 -13.709 3.295 1.412 148 2HA GLY 23 2HA GLY 23 -14.542 1.762 1.575 149 H ASN 24 H ASN 24 -11.558 0.713 2.261 150 HA ASN 24 HA ASN 24 -11.934 1.345 5.105 151 1HB ASN 24 1HB ASN 24 -10.519 -0.962 3.764 152 2HB ASN 24 2HB ASN 24 -10.625 -0.719 5.507 153 1HD2 ASN 24 1HD2 ASN 24 -13.567 -2.493 3.513 154 2HD2 ASN 24 2HD2 ASN 24 -12.031 -2.106 2.837 155 H LYS 25 H LYS 25 -10.361 2.280 6.303 156 HA LYS 25 HA LYS 25 -8.137 3.459 4.955 157 1HB LYS 25 1HB LYS 25 -8.900 3.382 7.879 158 2HB LYS 25 2HB LYS 25 -7.748 4.454 7.131 159 1HG LYS 25 1HG LYS 25 -9.409 5.620 5.937 160 2HG LYS 25 2HG LYS 25 -10.624 4.399 6.324 161 1HD LYS 25 1HD LYS 25 -10.451 5.007 8.699 162 2HD LYS 25 2HD LYS 25 -9.283 6.264 8.278 163 1HE LYS 25 1HE LYS 25 -10.955 7.405 6.938 164 2HE LYS 25 2HE LYS 25 -12.123 6.117 7.252 165 1HZ LYS 25 1HZ LYS 25 -11.639 6.731 9.719 166 2HZ LYS 25 2HZ LYS 25 -11.124 8.214 9.066 167 3HZ LYS 25 3HZ LYS 25 -12.717 7.676 8.808 168 H TYR 26 H TYR 26 -6.121 2.541 4.820 169 HA TYR 26 HA TYR 26 -5.645 0.227 6.550 170 1HB TYR 26 1HB TYR 26 -4.410 0.920 3.888 171 2HB TYR 26 2HB TYR 26 -4.032 -0.500 4.856 172 HD1 TYR 26 1HD TYR 26 -7.035 -0.862 5.741 173 HD2 TYR 26 2HD TYR 26 -5.117 -0.391 1.981 174 HE1 TYR 26 1HE TYR 26 -8.838 -2.116 4.667 175 HE2 TYR 26 2HE TYR 26 -6.912 -1.644 0.909 176 HH TYR 26 HH TYR 26 -8.858 -3.621 2.272 177 H GLU 27 H GLU 27 -4.452 0.566 8.139 178 HA GLU 27 HA GLU 27 -2.553 2.752 8.243 179 1HB GLU 27 1HB GLU 27 -3.578 0.809 10.292 180 2HB GLU 27 2HB GLU 27 -2.399 2.048 10.635 181 1HG GLU 27 1HG GLU 27 -3.964 3.783 10.086 182 2HG GLU 27 2HG GLU 27 -5.151 2.581 9.578 183 H SER 28 H SER 28 -2.645 -0.606 7.761 184 HA SER 28 HA SER 28 0.282 -0.754 7.877 185 1HB SER 28 1HB SER 28 -0.142 -3.233 8.360 186 2HB SER 28 2HB SER 28 -0.442 -2.117 9.690 187 HG SER 28 HG SER 28 -2.126 -3.845 8.532 188 H CYS 29 H CYS 29 0.745 -3.055 6.528 189 HA CYS 29 HA CYS 29 -0.018 -2.350 3.890 190 1HB CYS 29 1HB CYS 29 1.229 -4.914 4.881 191 2HB CYS 29 2HB CYS 29 1.084 -4.438 3.205 192 H THR 30 H THR 30 -1.101 -3.853 2.416 193 HA THR 30 HA THR 30 -3.188 -5.449 3.719 194 HB THR 30 HB THR 30 -4.162 -3.205 3.258 195 HG1 THR 30 1HG THR 30 -5.639 -4.820 3.081 196 1HG2 THR 30 1HG2 THR 30 -4.540 -3.150 0.530 197 2HG2 THR 30 2HG2 THR 30 -3.438 -2.116 1.440 198 3HG2 THR 30 3HG2 THR 30 -2.842 -3.597 0.690 199 H SER 31 H SER 31 -4.454 -6.656 1.993 200 HA SER 31 HA SER 31 -2.734 -7.392 -0.269 201 1HB SER 31 1HB SER 31 -3.611 -9.757 0.053 202 2HB SER 31 2HB SER 31 -2.486 -9.189 1.297 203 HG SER 31 HG SER 31 -4.822 -10.206 1.725 204 H ALA 32 H ALA 32 -5.005 -5.587 0.283 205 HA ALA 32 HA ALA 32 -7.397 -6.564 -0.845 206 1HB ALA 32 1HB ALA 32 -6.343 -3.993 0.080 207 2HB ALA 32 2HB ALA 32 -7.424 -3.835 -1.305 208 3HB ALA 32 3HB ALA 32 -7.985 -4.631 0.164 209 H GLY 33 H GLY 33 -8.209 -6.512 -2.859 210 1HA GLY 33 1HA GLY 33 -8.293 -6.196 -5.144 211 2HA GLY 33 2HA GLY 33 -6.916 -5.110 -5.007 212 H ARG 34 H ARG 34 -5.923 -7.788 -3.455 213 HA ARG 34 HA ARG 34 -4.717 -8.865 -5.904 214 1HB ARG 34 1HB ARG 34 -3.691 -9.142 -3.082 215 2HB ARG 34 2HB ARG 34 -2.860 -9.550 -4.566 216 1HG ARG 34 1HG ARG 34 -3.287 -6.953 -5.039 217 2HG ARG 34 2HG ARG 34 -3.245 -6.929 -3.278 218 1HD ARG 34 1HD ARG 34 -1.049 -6.534 -4.329 219 2HD ARG 34 2HD ARG 34 -1.071 -7.932 -3.248 220 HE ARG 34 HE ARG 34 -0.623 -9.276 -5.039 221 1HH1 ARG 34 1HH1 ARG 34 -1.704 -6.164 -6.250 222 2HH1 ARG 34 2HH1 ARG 34 -1.341 -6.545 -7.906 223 1HH2 ARG 34 1HH2 ARG 34 -0.171 -9.779 -7.191 224 2HH2 ARG 34 2HH2 ARG 34 -0.426 -8.596 -8.436 225 H SER 35 H SER 35 -4.918 -10.948 -6.402 226 HA SER 35 HA SER 35 -6.610 -12.576 -4.644 227 1HB SER 35 1HB SER 35 -7.316 -12.130 -7.034 228 2HB SER 35 2HB SER 35 -5.927 -13.088 -7.547 229 HG SER 35 HG SER 35 -6.831 -14.847 -6.322 230 H ASP 36 H ASP 36 -3.422 -12.106 -5.154 231 HA ASP 36 HA ASP 36 -2.668 -14.913 -5.139 232 1HB ASP 36 1HB ASP 36 -0.296 -13.784 -5.002 233 2HB ASP 36 2HB ASP 36 -1.161 -13.894 -6.521 234 H GLY 37 H GLY 37 -1.137 -12.327 -3.410 235 1HA GLY 37 1HA GLY 37 -1.956 -12.767 -0.840 236 2HA GLY 37 2HA GLY 37 -0.688 -13.956 -1.102 237 H LYS 38 H LYS 38 0.343 -11.720 -3.076 238 HA LYS 38 HA LYS 38 2.409 -10.746 -1.452 239 1HB LYS 38 1HB LYS 38 1.351 -9.652 -4.071 240 2HB LYS 38 2HB LYS 38 2.917 -9.288 -3.368 241 1HG LYS 38 1HG LYS 38 3.706 -11.440 -3.717 242 2HG LYS 38 2HG LYS 38 2.104 -12.088 -4.023 243 1HD LYS 38 1HD LYS 38 1.990 -10.887 -6.124 244 2HD LYS 38 2HD LYS 38 3.539 -10.105 -5.791 245 1HE LYS 38 1HE LYS 38 4.564 -12.403 -5.716 246 2HE LYS 38 2HE LYS 38 3.029 -13.034 -6.305 247 1HZ LYS 38 1HZ LYS 38 4.660 -10.993 -7.721 248 2HZ LYS 38 2HZ LYS 38 4.698 -12.656 -8.071 249 3HZ LYS 38 3HZ LYS 38 3.265 -11.764 -8.314 250 H MET 39 H MET 39 1.770 -9.604 0.351 251 HA MET 39 HA MET 39 -0.302 -7.673 0.259 252 1HB MET 39 1HB MET 39 1.883 -7.871 2.341 253 2HB MET 39 2HB MET 39 0.295 -7.138 2.504 254 1HG MET 39 1HG MET 39 -0.740 -9.341 2.228 255 2HG MET 39 2HG MET 39 0.868 -10.061 2.154 256 1HE MET 39 1HE MET 39 2.570 -8.819 3.793 257 2HE MET 39 2HE MET 39 2.208 -8.424 5.475 258 3HE MET 39 3HE MET 39 2.480 -10.101 4.997 259 H TRP 40 H TRP 40 -0.233 -5.508 0.045 260 HA TRP 40 HA TRP 40 2.369 -4.271 -0.564 261 1HB TRP 40 1HB TRP 40 1.204 -2.949 -2.327 262 2HB TRP 40 2HB TRP 40 1.225 -4.677 -2.678 263 HD1 TRP 40 HD1 TRP 40 -1.228 -5.975 -1.892 264 HE1 TRP 40 1HE TRP 40 -3.622 -5.090 -2.156 265 HE3 TRP 40 3HE TRP 40 -0.203 -1.019 -2.489 266 HZ2 TRP 40 2HZ TRP 40 -4.902 -2.630 -2.525 267 HZ3 TRP 40 3HZ TRP 40 -2.079 0.537 -2.766 268 HH2 TRP 40 HH2 TRP 40 -4.383 -0.252 -2.791 269 H CYS 41 H CYS 41 1.486 -1.733 -1.066 270 HA CYS 41 HA CYS 41 -0.219 -0.740 1.037 271 1HB CYS 41 1HB CYS 41 1.523 0.711 2.032 272 2HB CYS 41 2HB CYS 41 1.894 -0.999 2.272 273 H ALA 42 H ALA 42 -0.798 1.491 0.630 274 HA ALA 42 HA ALA 42 -0.347 2.229 -2.142 275 1HB ALA 42 1HB ALA 42 -2.414 2.697 -0.274 276 2HB ALA 42 2HB ALA 42 -1.769 4.264 -0.765 277 3HB ALA 42 3HB ALA 42 -2.357 3.129 -1.983 278 H THR 43 H THR 43 0.575 4.143 -2.835 279 HA THR 43 HA THR 43 2.425 5.295 -0.886 280 HB THR 43 HB THR 43 3.802 5.934 -2.795 281 HG1 THR 43 1HG THR 43 2.628 6.313 -4.530 282 1HG2 THR 43 1HG2 THR 43 3.654 3.427 -3.908 283 2HG2 THR 43 2HG2 THR 43 4.607 3.879 -2.494 284 3HG2 THR 43 3HG2 THR 43 2.998 3.184 -2.289 285 H THR 44 H THR 44 -0.486 5.841 -1.716 286 HA THR 44 HA THR 44 -0.237 8.758 -1.678 287 HB THR 44 HB THR 44 -2.348 8.832 -3.057 288 HG1 THR 44 1HG THR 44 -3.292 7.029 -3.492 289 1HG2 THR 44 1HG2 THR 44 -1.085 7.720 -5.166 290 2HG2 THR 44 2HG2 THR 44 -0.769 9.342 -4.556 291 3HG2 THR 44 3HG2 THR 44 0.275 8.000 -4.078 292 H ALA 45 H ALA 45 -1.898 9.809 -0.441 293 HA ALA 45 HA ALA 45 -2.704 8.470 1.875 294 1HB ALA 45 1HB ALA 45 -2.672 11.064 1.081 295 2HB ALA 45 2HB ALA 45 -4.404 10.732 1.113 296 3HB ALA 45 3HB ALA 45 -3.430 10.476 2.561 297 H ASN 46 H ASN 46 -4.519 9.158 -1.086 298 HA ASN 46 HA ASN 46 -6.552 7.251 -0.145 299 1HB ASN 46 1HB ASN 46 -7.424 9.581 -0.414 300 2HB ASN 46 2HB ASN 46 -6.970 9.522 -2.113 301 1HD2 ASN 46 1HD2 ASN 46 -10.459 8.083 -0.875 302 2HD2 ASN 46 2HD2 ASN 46 -9.375 8.975 0.124 303 H TYR 47 H TYR 47 -6.105 5.385 -1.122 304 HA TYR 47 HA TYR 47 -4.668 5.295 -3.589 305 1HB TYR 47 1HB TYR 47 -4.343 3.597 -1.826 306 2HB TYR 47 2HB TYR 47 -5.994 3.027 -2.088 307 HD1 TYR 47 1HD TYR 47 -2.654 3.343 -3.639 308 HD2 TYR 47 2HD TYR 47 -6.512 1.572 -3.906 309 HE1 TYR 47 1HE TYR 47 -1.853 1.885 -5.443 310 HE2 TYR 47 2HE TYR 47 -5.715 0.109 -5.716 311 HH TYR 47 HH TYR 47 -3.836 0.264 -7.506 312 H ASP 48 H ASP 48 -8.041 4.865 -2.683 313 HA ASP 48 HA ASP 48 -9.046 3.634 -4.924 314 1HB ASP 48 1HB ASP 48 -10.196 5.696 -3.079 315 2HB ASP 48 2HB ASP 48 -11.126 5.101 -4.447 316 H ASP 49 H ASP 49 -8.115 6.993 -4.553 317 HA ASP 49 HA ASP 49 -9.159 7.738 -7.141 318 1HB ASP 49 1HB ASP 49 -7.728 9.213 -4.953 319 2HB ASP 49 2HB ASP 49 -7.938 9.940 -6.536 320 H ASP 50 H ASP 50 -5.966 8.481 -5.824 321 HA ASP 50 HA ASP 50 -4.743 8.686 -8.335 322 1HB ASP 50 1HB ASP 50 -3.533 8.404 -5.587 323 2HB ASP 50 2HB ASP 50 -2.622 8.821 -7.036 324 H ARG 51 H ARG 51 -5.321 5.905 -6.439 325 HA ARG 51 HA ARG 51 -4.512 3.808 -6.413 326 1HB ARG 51 1HB ARG 51 -4.862 4.277 -9.346 327 2HB ARG 51 2HB ARG 51 -4.864 2.710 -8.540 328 1HG ARG 51 1HG ARG 51 -6.691 3.818 -7.057 329 2HG ARG 51 2HG ARG 51 -6.876 4.897 -8.438 330 1HD ARG 51 1HD ARG 51 -6.889 1.927 -8.709 331 2HD ARG 51 2HD ARG 51 -8.348 2.843 -8.331 332 HE ARG 51 HE ARG 51 -7.119 2.594 -10.883 333 1HH1 ARG 51 1HH1 ARG 51 -8.877 4.826 -8.840 334 2HH1 ARG 51 2HH1 ARG 51 -9.403 5.831 -10.156 335 1HH2 ARG 51 1HH2 ARG 51 -7.787 3.926 -12.623 336 2HH2 ARG 51 2HH2 ARG 51 -8.804 5.292 -12.314 337 H LYS 52 H LYS 52 -2.298 5.041 -5.854 338 HA LYS 52 HA LYS 52 -0.336 3.815 -7.649 339 1HB LYS 52 1HB LYS 52 -0.141 6.320 -5.994 340 2HB LYS 52 2HB LYS 52 1.307 5.443 -6.467 341 1HG LYS 52 1HG LYS 52 0.816 5.749 -8.791 342 2HG LYS 52 2HG LYS 52 -0.761 6.426 -8.412 343 1HD LYS 52 1HD LYS 52 0.275 8.363 -7.393 344 2HD LYS 52 2HD LYS 52 1.880 7.663 -7.641 345 1HE LYS 52 1HE LYS 52 1.241 9.391 -9.326 346 2HE LYS 52 2HE LYS 52 1.657 7.820 -10.015 347 1HZ LYS 52 1HZ LYS 52 -0.787 7.349 -10.052 348 2HZ LYS 52 2HZ LYS 52 -1.050 8.978 -9.651 349 3HZ LYS 52 3HZ LYS 52 -0.279 8.573 -11.109 350 H TRP 53 H TRP 53 0.537 2.074 -6.880 351 HA TRP 53 HA TRP 53 0.618 1.713 -3.966 352 1HB TRP 53 1HB TRP 53 -0.120 -0.543 -4.288 353 2HB TRP 53 2HB TRP 53 -1.241 0.543 -5.031 354 HD1 TRP 53 HD1 TRP 53 -0.659 0.827 -7.922 355 HE1 TRP 53 1HE TRP 53 -0.182 -1.149 -9.515 356 HE3 TRP 53 3HE TRP 53 0.609 -2.561 -4.454 357 HZ2 TRP 53 2HZ TRP 53 0.647 -3.876 -9.266 358 HZ3 TRP 53 3HZ TRP 53 1.248 -4.855 -5.150 359 HH2 TRP 53 HH2 TRP 53 1.268 -5.494 -7.513 360 H GLY 54 H GLY 54 1.817 -0.232 -3.361 361 1HA GLY 54 1HA GLY 54 4.040 -1.108 -4.939 362 2HA GLY 54 2HA GLY 54 4.517 0.003 -3.652 363 H PHE 55 H PHE 55 4.944 -2.973 -4.023 364 HA PHE 55 HA PHE 55 3.376 -4.394 -2.195 365 1HB PHE 55 1HB PHE 55 6.094 -4.785 -3.381 366 2HB PHE 55 2HB PHE 55 5.567 -5.828 -2.075 367 HD1 PHE 55 1HD PHE 55 2.612 -5.152 -3.569 368 HD2 PHE 55 2HD PHE 55 6.265 -7.169 -4.386 369 HE1 PHE 55 1HE PHE 55 1.436 -6.627 -5.153 370 HE2 PHE 55 2HE PHE 55 5.098 -8.655 -5.972 371 HZ PHE 55 HZ PHE 55 2.678 -8.357 -6.370 372 H CYS 56 H CYS 56 3.938 -5.232 -0.145 373 HA CYS 56 HA CYS 56 4.879 -3.268 1.700 374 1HB CYS 56 1HB CYS 56 3.102 -5.137 2.075 375 2HB CYS 56 2HB CYS 56 4.485 -6.194 2.322 376 HA PRO 57 HA PRO 57 9.225 -4.241 1.530 377 1HB PRO 57 1HB PRO 57 10.007 -3.379 3.944 378 2HB PRO 57 2HB PRO 57 9.537 -2.263 2.651 379 1HG PRO 57 1HG PRO 57 7.872 -3.388 4.854 380 2HG PRO 57 2HG PRO 57 8.098 -1.675 4.437 381 1HD PRO 57 1HD PRO 57 5.940 -2.969 3.601 382 2HD PRO 57 2HD PRO 57 6.817 -1.914 2.465 383 H ASP 58 H ASP 58 10.555 -4.780 4.076 384 HA ASP 58 HA ASP 58 10.555 -7.578 3.981 385 1HB ASP 58 1HB ASP 58 11.618 -5.608 6.003 386 2HB ASP 58 2HB ASP 58 11.852 -7.336 6.148 387 H GLN 59 H GLN 59 8.373 -8.193 4.214 388 HA GLN 59 HA GLN 59 6.873 -7.589 6.555 389 1HB GLN 59 1HB GLN 59 5.472 -9.490 5.345 390 2HB GLN 59 2HB GLN 59 5.453 -7.832 4.789 391 1HG GLN 59 1HG GLN 59 7.321 -8.520 3.219 392 2HG GLN 59 2HG GLN 59 6.949 -10.184 3.667 393 1HE2 GLN 59 1HE2 GLN 59 4.895 -8.401 0.799 394 2HE2 GLN 59 2HE2 GLN 59 6.389 -7.829 1.459 395 H GLY 60 H GLY 60 9.217 -9.904 5.770 396 1HA GLY 60 1HA GLY 60 8.168 -11.884 7.653 397 2HA GLY 60 2HA GLY 60 9.561 -12.091 6.597 Start of MODEL 36 1 H SER 1 1H SER 1 15.949 7.142 5.647 2 HA SER 1 HA SER 1 14.312 8.222 4.594 3 1HB SER 1 1HB SER 1 14.380 6.122 2.410 4 2HB SER 1 2HB SER 1 13.504 7.651 2.385 5 HG SER 1 HG SER 1 15.583 7.570 1.223 6 H TRP 2 H TRP 2 11.947 7.470 3.867 7 HA TRP 2 HA TRP 2 11.014 5.751 5.967 8 1HB TRP 2 1HB TRP 2 9.780 7.776 5.192 9 2HB TRP 2 2HB TRP 2 9.502 6.987 3.651 10 HD1 TRP 2 HD1 TRP 2 7.506 5.279 3.499 11 HE1 TRP 2 1HE TRP 2 5.607 4.645 5.111 12 HE3 TRP 2 3HE TRP 2 9.323 7.424 7.770 13 HZ2 TRP 2 2HZ TRP 2 4.982 4.965 7.845 14 HZ3 TRP 2 3HZ TRP 2 8.028 7.196 9.848 15 HH2 TRP 2 HH2 TRP 2 5.894 5.991 9.883 16 H MET 3 H MET 3 9.487 3.920 5.454 17 HA MET 3 HA MET 3 10.751 1.866 4.142 18 1HB MET 3 1HB MET 3 7.794 2.218 4.645 19 2HB MET 3 2HB MET 3 8.534 0.712 4.125 20 1HG MET 3 1HG MET 3 8.205 0.566 6.459 21 2HG MET 3 2HG MET 3 9.934 0.768 6.184 22 1HE MET 3 1HE MET 3 8.695 1.128 9.012 23 2HE MET 3 2HE MET 3 10.401 1.487 8.730 24 3HE MET 3 3HE MET 3 9.380 2.648 9.579 25 H SER 4 H SER 4 11.423 1.960 2.097 26 HA SER 4 HA SER 4 9.904 3.201 0.003 27 1HB SER 4 1HB SER 4 12.340 1.431 -0.289 28 2HB SER 4 2HB SER 4 11.768 2.669 -1.406 29 HG SER 4 HG SER 4 12.132 3.756 1.024 30 H THR 5 H THR 5 9.260 2.048 -1.973 31 HA THR 5 HA THR 5 7.958 -0.438 -1.241 32 HB THR 5 HB THR 5 6.891 -0.050 -3.573 33 HG1 THR 5 1HG THR 5 7.607 2.621 -3.070 34 1HG2 THR 5 1HG2 THR 5 5.282 1.547 -2.680 35 2HG2 THR 5 2HG2 THR 5 5.634 0.250 -1.537 36 3HG2 THR 5 3HG2 THR 5 6.348 1.847 -1.309 37 H VAL 6 H VAL 6 7.679 -2.077 -2.766 38 HA VAL 6 HA VAL 6 9.781 -2.643 -4.676 39 HB VAL 6 HB VAL 6 10.688 -4.019 -3.093 40 1HG1 VAL 6 1HG1 VAL 6 8.039 -3.903 -1.697 41 2HG1 VAL 6 2HG1 VAL 6 9.309 -5.011 -1.178 42 3HG1 VAL 6 3HG1 VAL 6 9.595 -3.267 -1.166 43 1HG2 VAL 6 1HG2 VAL 6 8.315 -5.571 -4.007 44 2HG2 VAL 6 2HG2 VAL 6 10.008 -5.742 -4.477 45 3HG2 VAL 6 3HG2 VAL 6 9.479 -6.267 -2.879 46 H GLY 7 H GLY 7 8.808 -4.455 -6.173 47 1HA GLY 7 1HA GLY 7 6.908 -5.278 -7.312 48 2HA GLY 7 2HA GLY 7 6.057 -5.094 -5.806 49 H GLY 8 H GLY 8 4.190 -4.297 -6.759 50 1HA GLY 8 1HA GLY 8 2.767 -2.717 -7.644 51 2HA GLY 8 2HA GLY 8 3.783 -1.602 -6.757 52 H ASN 9 H ASN 9 3.885 0.103 -8.099 53 HA ASN 9 HA ASN 9 5.438 -0.199 -10.522 54 1HB ASN 9 1HB ASN 9 3.814 0.860 -12.002 55 2HB ASN 9 2HB ASN 9 3.205 -0.658 -11.382 56 1HD2 ASN 9 1HD2 ASN 9 1.336 1.992 -9.159 57 2HD2 ASN 9 2HD2 ASN 9 2.931 1.390 -8.895 58 H SER 10 H SER 10 5.383 1.282 -7.857 59 HA SER 10 HA SER 10 5.403 4.037 -8.789 60 1HB SER 10 1HB SER 10 5.766 2.949 -5.989 61 2HB SER 10 2HB SER 10 5.474 4.628 -6.447 62 HG SER 10 HG SER 10 3.612 3.187 -5.766 63 H GLY 11 H GLY 11 7.623 1.502 -8.326 64 1HA GLY 11 1HA GLY 11 9.896 1.656 -8.944 65 2HA GLY 11 2HA GLY 11 9.826 3.390 -8.695 66 H GLY 12 H GLY 12 9.756 4.161 -6.474 67 1HA GLY 12 1HA GLY 12 10.590 2.288 -4.409 68 2HA GLY 12 2HA GLY 12 11.793 3.472 -4.887 69 H ALA 13 H ALA 13 8.452 4.347 -4.974 70 HA ALA 13 HA ALA 13 8.830 6.501 -3.151 71 1HB ALA 13 1HB ALA 13 6.618 5.442 -4.788 72 2HB ALA 13 2HB ALA 13 6.148 6.342 -3.345 73 3HB ALA 13 3HB ALA 13 7.174 7.102 -4.562 74 HA PRO 14 HA PRO 14 7.896 4.355 0.589 75 1HB PRO 14 1HB PRO 14 7.231 6.503 2.156 76 2HB PRO 14 2HB PRO 14 8.884 6.026 1.767 77 1HG PRO 14 1HG PRO 14 7.304 8.293 0.769 78 2HG PRO 14 2HG PRO 14 9.058 8.080 0.812 79 1HD PRO 14 1HD PRO 14 7.359 7.822 -1.426 80 2HD PRO 14 2HD PRO 14 9.080 7.416 -1.340 81 H CYS 15 H CYS 15 6.165 3.397 1.537 82 HA CYS 15 HA CYS 15 3.563 3.927 0.486 83 1HB CYS 15 1HB CYS 15 4.473 2.108 2.738 84 2HB CYS 15 2HB CYS 15 2.812 2.197 2.161 85 H VAL 16 H VAL 16 2.098 5.333 1.196 86 HA VAL 16 HA VAL 16 2.591 6.820 3.649 87 HB VAL 16 HB VAL 16 0.481 7.210 1.518 88 1HG1 VAL 16 1HG1 VAL 16 1.052 8.606 4.062 89 2HG1 VAL 16 2HG1 VAL 16 0.676 9.617 2.666 90 3HG1 VAL 16 3HG1 VAL 16 -0.472 8.388 3.201 91 1HG2 VAL 16 1HG2 VAL 16 3.292 7.914 1.627 92 2HG2 VAL 16 2HG2 VAL 16 2.159 8.000 0.277 93 3HG2 VAL 16 3HG2 VAL 16 2.268 9.333 1.424 94 H PHE 17 H PHE 17 1.641 6.328 5.510 95 HA PHE 17 HA PHE 17 -0.885 4.826 5.471 96 1HB PHE 17 1HB PHE 17 1.391 4.753 7.457 97 2HB PHE 17 2HB PHE 17 -0.160 3.986 7.714 98 HD1 PHE 17 1HD PHE 17 -0.877 2.449 5.556 99 HD2 PHE 17 2HD PHE 17 3.064 3.395 6.835 100 HE1 PHE 17 1HE PHE 17 -0.033 0.432 4.440 101 HE2 PHE 17 2HE PHE 17 3.927 1.379 5.719 102 HZ PHE 17 HZ PHE 17 2.389 -0.123 4.499 103 HA PRO 18 HA PRO 18 -2.366 4.318 6.664 104 1HB PRO 18 1HB PRO 18 -4.982 5.175 7.111 105 2HB PRO 18 2HB PRO 18 -3.947 4.353 8.279 106 1HG PRO 18 1HG PRO 18 -4.882 7.048 8.361 107 2HG PRO 18 2HG PRO 18 -3.791 6.248 9.498 108 1HD PRO 18 1HD PRO 18 -3.176 8.110 7.298 109 2HD PRO 18 2HD PRO 18 -2.217 7.704 8.733 110 H PHE 19 H PHE 19 -2.928 3.676 4.654 111 HA PHE 19 HA PHE 19 -3.981 5.761 2.861 112 1HB PHE 19 1HB PHE 19 -3.152 4.544 0.995 113 2HB PHE 19 2HB PHE 19 -1.851 4.631 2.171 114 HD1 PHE 19 1HD PHE 19 -4.222 2.448 0.449 115 HD2 PHE 19 2HD PHE 19 -1.062 2.645 3.286 116 HE1 PHE 19 1HE PHE 19 -3.946 0.017 0.295 117 HE2 PHE 19 2HE PHE 19 -0.792 0.201 3.152 118 HZ PHE 19 HZ PHE 19 -2.230 -1.113 1.651 119 H THR 20 H THR 20 -5.964 5.566 2.005 120 HA THR 20 HA THR 20 -7.529 3.323 3.014 121 HB THR 20 HB THR 20 -8.441 5.882 1.660 122 HG1 THR 20 1HG THR 20 -7.581 6.524 3.554 123 1HG2 THR 20 1HG2 THR 20 -10.225 4.552 3.558 124 2HG2 THR 20 2HG2 THR 20 -10.576 5.322 2.010 125 3HG2 THR 20 3HG2 THR 20 -9.964 3.668 2.054 126 H PHE 21 H PHE 21 -8.236 1.727 1.866 127 HA PHE 21 HA PHE 21 -8.383 1.963 -1.077 128 1HB PHE 21 1HB PHE 21 -6.444 0.517 -0.075 129 2HB PHE 21 2HB PHE 21 -7.721 -0.598 0.352 130 HD1 PHE 21 1HD PHE 21 -8.429 1.103 -2.733 131 HD2 PHE 21 2HD PHE 21 -6.319 -2.163 -1.009 132 HE1 PHE 21 1HE PHE 21 -8.322 -0.002 -4.918 133 HE2 PHE 21 2HE PHE 21 -6.207 -3.270 -3.184 134 HZ PHE 21 HZ PHE 21 -7.198 -2.179 -5.170 135 H LEU 22 H LEU 22 -10.199 0.898 -1.950 136 HA LEU 22 HA LEU 22 -12.401 0.484 -2.013 137 1HB LEU 22 1HB LEU 22 -11.205 -1.631 -0.346 138 2HB LEU 22 2HB LEU 22 -12.756 -1.810 -1.143 139 HG LEU 22 HG LEU 22 -11.580 -2.670 -2.832 140 1HD1 LEU 22 1HD1 LEU 22 -11.246 0.107 -3.193 141 2HD1 LEU 22 2HD1 LEU 22 -9.906 -0.810 -3.888 142 3HD1 LEU 22 3HD1 LEU 22 -11.561 -1.160 -4.376 143 1HD2 LEU 22 1HD2 LEU 22 -9.455 -2.100 -1.037 144 2HD2 LEU 22 2HD2 LEU 22 -9.790 -3.541 -1.997 145 3HD2 LEU 22 3HD2 LEU 22 -8.966 -2.166 -2.730 146 H GLY 23 H GLY 23 -11.803 2.338 0.159 147 1HA GLY 23 1HA GLY 23 -13.346 3.379 1.588 148 2HA GLY 23 2HA GLY 23 -14.236 1.875 1.690 149 H ASN 24 H ASN 24 -11.210 0.811 2.327 150 HA ASN 24 HA ASN 24 -11.598 1.267 5.212 151 1HB ASN 24 1HB ASN 24 -10.122 -0.945 3.775 152 2HB ASN 24 2HB ASN 24 -10.337 -0.814 5.514 153 1HD2 ASN 24 1HD2 ASN 24 -13.101 -2.547 3.261 154 2HD2 ASN 24 2HD2 ASN 24 -11.515 -2.120 2.725 155 H LYS 25 H LYS 25 -10.023 2.139 6.448 156 HA LYS 25 HA LYS 25 -7.794 3.401 5.183 157 1HB LYS 25 1HB LYS 25 -8.505 3.138 8.106 158 2HB LYS 25 2HB LYS 25 -7.442 4.311 7.377 159 1HG LYS 25 1HG LYS 25 -9.257 5.398 6.268 160 2HG LYS 25 2HG LYS 25 -10.370 4.128 6.788 161 1HD LYS 25 1HD LYS 25 -10.018 4.766 9.113 162 2HD LYS 25 2HD LYS 25 -8.872 6.006 8.599 163 1HE LYS 25 1HE LYS 25 -10.670 7.122 7.339 164 2HE LYS 25 2HE LYS 25 -11.804 5.893 7.910 165 1HZ LYS 25 1HZ LYS 25 -11.274 6.603 10.213 166 2HZ LYS 25 2HZ LYS 25 -10.328 7.870 9.575 167 3HZ LYS 25 3HZ LYS 25 -12.002 7.831 9.283 168 H TYR 26 H TYR 26 -5.825 2.439 4.918 169 HA TYR 26 HA TYR 26 -5.293 0.065 6.544 170 1HB TYR 26 1HB TYR 26 -4.121 0.876 3.888 171 2HB TYR 26 2HB TYR 26 -3.721 -0.585 4.780 172 HD1 TYR 26 1HD TYR 26 -6.776 -0.849 5.687 173 HD2 TYR 26 2HD TYR 26 -4.780 -0.488 1.958 174 HE1 TYR 26 1HE TYR 26 -8.598 -2.062 4.597 175 HE2 TYR 26 2HE TYR 26 -6.599 -1.689 0.860 176 HH TYR 26 HH TYR 26 -8.658 -3.585 2.285 177 H GLU 27 H GLU 27 -4.132 0.443 8.166 178 HA GLU 27 HA GLU 27 -2.204 2.593 8.309 179 1HB GLU 27 1HB GLU 27 -2.746 0.503 10.391 180 2HB GLU 27 2HB GLU 27 -2.175 2.138 10.618 181 1HG GLU 27 1HG GLU 27 -4.331 3.037 10.027 182 2HG GLU 27 2HG GLU 27 -4.929 1.419 9.655 183 H SER 28 H SER 28 -2.300 -0.759 7.723 184 HA SER 28 HA SER 28 0.628 -0.881 7.722 185 1HB SER 28 1HB SER 28 0.306 -3.335 8.227 186 2HB SER 28 2HB SER 28 -0.094 -2.261 9.560 187 HG SER 28 HG SER 28 -2.108 -2.913 9.450 188 H CYS 29 H CYS 29 1.047 -3.153 6.343 189 HA CYS 29 HA CYS 29 0.246 -2.460 3.716 190 1HB CYS 29 1HB CYS 29 1.417 -5.054 4.723 191 2HB CYS 29 2HB CYS 29 1.291 -4.583 3.044 192 H THR 30 H THR 30 -0.874 -3.961 2.267 193 HA THR 30 HA THR 30 -2.997 -5.505 3.574 194 HB THR 30 HB THR 30 -3.883 -3.213 3.094 195 HG1 THR 30 1HG THR 30 -5.456 -4.684 3.000 196 1HG2 THR 30 1HG2 THR 30 -4.250 -3.416 0.299 197 2HG2 THR 30 2HG2 THR 30 -3.406 -2.161 1.206 198 3HG2 THR 30 3HG2 THR 30 -2.523 -3.572 0.622 199 H SER 31 H SER 31 -4.307 -6.647 1.815 200 HA SER 31 HA SER 31 -2.543 -7.484 -0.377 201 1HB SER 31 1HB SER 31 -3.541 -9.790 -0.076 202 2HB SER 31 2HB SER 31 -2.492 -9.264 1.251 203 HG SER 31 HG SER 31 -4.132 -9.465 2.542 204 H ALA 32 H ALA 32 -4.920 -5.676 0.291 205 HA ALA 32 HA ALA 32 -7.222 -6.550 -1.033 206 1HB ALA 32 1HB ALA 32 -6.311 -4.153 0.230 207 2HB ALA 32 2HB ALA 32 -7.003 -3.723 -1.333 208 3HB ALA 32 3HB ALA 32 -7.968 -4.617 -0.157 209 H GLY 33 H GLY 33 -7.940 -6.456 -3.092 210 1HA GLY 33 1HA GLY 33 -7.934 -5.978 -5.357 211 2HA GLY 33 2HA GLY 33 -6.519 -4.960 -5.102 212 H ARG 34 H ARG 34 -5.500 -7.646 -3.648 213 HA ARG 34 HA ARG 34 -4.403 -8.707 -6.161 214 1HB ARG 34 1HB ARG 34 -3.305 -9.118 -3.386 215 2HB ARG 34 2HB ARG 34 -2.547 -9.538 -4.898 216 1HG ARG 34 1HG ARG 34 -2.798 -6.945 -5.339 217 2HG ARG 34 2HG ARG 34 -2.781 -6.909 -3.577 218 1HD ARG 34 1HD ARG 34 -0.528 -6.665 -4.609 219 2HD ARG 34 2HD ARG 34 -0.654 -8.032 -3.497 220 HE ARG 34 HE ARG 34 -0.154 -9.409 -5.229 221 1HH1 ARG 34 1HH1 ARG 34 -1.439 -6.439 -6.596 222 2HH1 ARG 34 2HH1 ARG 34 -1.152 -6.932 -8.237 223 1HH2 ARG 34 1HH2 ARG 34 0.172 -10.055 -7.398 224 2HH2 ARG 34 2HH2 ARG 34 -0.231 -8.963 -8.691 225 H SER 35 H SER 35 -4.544 -10.829 -6.675 226 HA SER 35 HA SER 35 -6.249 -12.468 -4.917 227 1HB SER 35 1HB SER 35 -5.796 -12.806 -7.897 228 2HB SER 35 2HB SER 35 -6.975 -13.659 -6.898 229 HG SER 35 HG SER 35 -6.941 -10.904 -7.595 230 H ASP 36 H ASP 36 -3.074 -12.067 -5.563 231 HA ASP 36 HA ASP 36 -2.469 -14.890 -5.837 232 1HB ASP 36 1HB ASP 36 -0.076 -14.079 -5.957 233 2HB ASP 36 2HB ASP 36 -1.126 -13.633 -7.275 234 H GLY 37 H GLY 37 -0.838 -12.476 -3.893 235 1HA GLY 37 1HA GLY 37 -1.565 -13.422 -1.401 236 2HA GLY 37 2HA GLY 37 -0.175 -14.364 -1.890 237 H LYS 38 H LYS 38 1.094 -12.084 -3.305 238 HA LYS 38 HA LYS 38 2.643 -11.109 -1.206 239 1HB LYS 38 1HB LYS 38 2.228 -9.799 -3.893 240 2HB LYS 38 2HB LYS 38 3.624 -9.618 -2.835 241 1HG LYS 38 1HG LYS 38 4.411 -11.104 -4.384 242 2HG LYS 38 2HG LYS 38 3.848 -12.198 -3.136 243 1HD LYS 38 1HD LYS 38 1.813 -12.588 -4.366 244 2HD LYS 38 2HD LYS 38 2.281 -11.399 -5.578 245 1HE LYS 38 1HE LYS 38 4.223 -12.788 -6.170 246 2HE LYS 38 2HE LYS 38 3.714 -13.984 -4.975 247 1HZ LYS 38 1HZ LYS 38 1.766 -13.177 -6.999 248 2HZ LYS 38 2HZ LYS 38 3.055 -14.169 -7.503 249 3HZ LYS 38 3HZ LYS 38 2.015 -14.691 -6.268 250 H MET 39 H MET 39 2.329 -9.525 0.241 251 HA MET 39 HA MET 39 -0.039 -7.881 -0.010 252 1HB MET 39 1HB MET 39 2.023 -7.851 2.202 253 2HB MET 39 2HB MET 39 0.376 -7.239 2.255 254 1HG MET 39 1HG MET 39 -0.500 -9.500 2.068 255 2HG MET 39 2HG MET 39 1.145 -10.131 1.966 256 1HE MET 39 1HE MET 39 -0.410 -11.507 3.511 257 2HE MET 39 2HE MET 39 0.824 -11.751 4.745 258 3HE MET 39 3HE MET 39 -0.763 -11.129 5.198 259 H TRP 40 H TRP 40 0.006 -5.592 0.033 260 HA TRP 40 HA TRP 40 2.582 -4.336 -0.639 261 1HB TRP 40 1HB TRP 40 1.459 -3.081 -2.460 262 2HB TRP 40 2HB TRP 40 1.456 -4.817 -2.771 263 HD1 TRP 40 HD1 TRP 40 -1.026 -6.065 -2.034 264 HE1 TRP 40 1HE TRP 40 -3.403 -5.135 -2.327 265 HE3 TRP 40 3HE TRP 40 0.086 -1.115 -2.637 266 HZ2 TRP 40 2HZ TRP 40 -4.636 -2.656 -2.715 267 HZ3 TRP 40 3HZ TRP 40 -1.762 0.478 -2.927 268 HH2 TRP 40 HH2 TRP 40 -4.081 -0.285 -2.973 269 H CYS 41 H CYS 41 1.713 -1.817 -1.152 270 HA CYS 41 HA CYS 41 -0.182 -0.844 0.745 271 1HB CYS 41 1HB CYS 41 1.615 0.669 1.865 272 2HB CYS 41 2HB CYS 41 1.416 -0.981 2.442 273 H ALA 42 H ALA 42 -0.806 1.254 0.244 274 HA ALA 42 HA ALA 42 -0.116 2.131 -2.379 275 1HB ALA 42 1HB ALA 42 -2.356 2.453 -1.154 276 2HB ALA 42 2HB ALA 42 -1.574 3.848 -0.403 277 3HB ALA 42 3HB ALA 42 -1.753 3.774 -2.156 278 H THR 43 H THR 43 0.782 4.154 -2.966 279 HA THR 43 HA THR 43 2.815 5.055 -1.060 280 HB THR 43 HB THR 43 3.999 5.866 -3.079 281 HG1 THR 43 1HG THR 43 2.828 6.135 -4.800 282 1HG2 THR 43 1HG2 THR 43 3.866 3.403 -4.226 283 2HG2 THR 43 2HG2 THR 43 4.859 3.810 -2.826 284 3HG2 THR 43 3HG2 THR 43 3.274 3.072 -2.598 285 H THR 44 H THR 44 -0.135 5.805 -1.663 286 HA THR 44 HA THR 44 0.256 8.691 -1.351 287 HB THR 44 HB THR 44 -1.833 9.048 -2.687 288 HG1 THR 44 1HG THR 44 -2.952 7.366 -3.210 289 1HG2 THR 44 1HG2 THR 44 -0.828 8.341 -4.948 290 2HG2 THR 44 2HG2 THR 44 0.030 9.528 -3.966 291 3HG2 THR 44 3HG2 THR 44 0.572 7.848 -3.993 292 H ALA 45 H ALA 45 -1.493 9.707 -0.115 293 HA ALA 45 HA ALA 45 -2.262 8.226 2.129 294 1HB ALA 45 1HB ALA 45 -2.227 10.857 1.521 295 2HB ALA 45 2HB ALA 45 -3.962 10.536 1.510 296 3HB ALA 45 3HB ALA 45 -3.005 10.176 2.949 297 H ASN 46 H ASN 46 -3.985 8.873 -0.868 298 HA ASN 46 HA ASN 46 -6.056 6.977 0.010 299 1HB ASN 46 1HB ASN 46 -6.934 9.337 -0.132 300 2HB ASN 46 2HB ASN 46 -6.535 9.328 -1.846 301 1HD2 ASN 46 1HD2 ASN 46 -9.979 7.842 -0.565 302 2HD2 ASN 46 2HD2 ASN 46 -8.893 8.752 0.413 303 H TYR 47 H TYR 47 -5.759 5.183 -1.103 304 HA TYR 47 HA TYR 47 -4.280 5.176 -3.553 305 1HB TYR 47 1HB TYR 47 -4.055 3.365 -1.909 306 2HB TYR 47 2HB TYR 47 -5.728 2.898 -2.204 307 HD1 TYR 47 1HD TYR 47 -2.423 3.264 -3.859 308 HD2 TYR 47 2HD TYR 47 -6.263 1.451 -3.973 309 HE1 TYR 47 1HE TYR 47 -1.689 1.847 -5.719 310 HE2 TYR 47 2HE TYR 47 -5.537 0.032 -5.843 311 HH TYR 47 HH TYR 47 -2.588 -0.621 -6.624 312 H ASP 48 H ASP 48 -7.682 4.980 -2.742 313 HA ASP 48 HA ASP 48 -8.638 3.891 -5.117 314 1HB ASP 48 1HB ASP 48 -9.846 5.764 -3.112 315 2HB ASP 48 2HB ASP 48 -10.737 5.259 -4.542 316 H ASP 49 H ASP 49 -7.711 7.182 -4.353 317 HA ASP 49 HA ASP 49 -8.740 8.307 -6.789 318 1HB ASP 49 1HB ASP 49 -7.051 9.344 -4.538 319 2HB ASP 49 2HB ASP 49 -7.248 10.282 -6.010 320 H ASP 50 H ASP 50 -5.410 8.138 -5.534 321 HA ASP 50 HA ASP 50 -4.259 8.689 -8.068 322 1HB ASP 50 1HB ASP 50 -3.099 7.811 -5.437 323 2HB ASP 50 2HB ASP 50 -2.103 8.077 -6.862 324 H ARG 51 H ARG 51 -4.753 5.671 -6.295 325 HA ARG 51 HA ARG 51 -4.376 3.525 -6.795 326 1HB ARG 51 1HB ARG 51 -4.977 4.606 -9.527 327 2HB ARG 51 2HB ARG 51 -4.852 2.888 -9.161 328 1HG ARG 51 1HG ARG 51 -6.473 4.191 -7.228 329 2HG ARG 51 2HG ARG 51 -7.099 4.502 -8.851 330 1HD ARG 51 1HD ARG 51 -6.305 1.778 -7.889 331 2HD ARG 51 2HD ARG 51 -7.920 2.430 -7.603 332 HE ARG 51 HE ARG 51 -6.867 1.399 -10.078 333 1HH1 ARG 51 1HH1 ARG 51 -9.173 3.608 -8.668 334 2HH1 ARG 51 2HH1 ARG 51 -10.234 3.576 -10.038 335 1HH2 ARG 51 1HH2 ARG 51 -8.249 1.370 -11.885 336 2HH2 ARG 51 2HH2 ARG 51 -9.710 2.311 -11.871 337 H LYS 52 H LYS 52 -2.074 4.776 -6.298 338 HA LYS 52 HA LYS 52 -0.197 3.492 -8.164 339 1HB LYS 52 1HB LYS 52 0.198 5.974 -6.466 340 2HB LYS 52 2HB LYS 52 1.510 5.132 -7.283 341 1HG LYS 52 1HG LYS 52 1.077 6.189 -9.196 342 2HG LYS 52 2HG LYS 52 -0.611 5.680 -9.147 343 1HD LYS 52 1HD LYS 52 -0.507 8.076 -9.224 344 2HD LYS 52 2HD LYS 52 -1.090 7.573 -7.638 345 1HE LYS 52 1HE LYS 52 1.165 7.884 -6.729 346 2HE LYS 52 2HE LYS 52 1.726 8.408 -8.317 347 1HZ LYS 52 1HZ LYS 52 -0.521 9.795 -6.982 348 2HZ LYS 52 2HZ LYS 52 1.088 10.184 -6.606 349 3HZ LYS 52 3HZ LYS 52 0.522 10.371 -8.193 350 H TRP 53 H TRP 53 0.708 1.755 -7.297 351 HA TRP 53 HA TRP 53 0.861 1.620 -4.364 352 1HB TRP 53 1HB TRP 53 0.063 -0.656 -4.481 353 2HB TRP 53 2HB TRP 53 -1.079 0.416 -5.212 354 HD1 TRP 53 HD1 TRP 53 -0.736 0.505 -8.129 355 HE1 TRP 53 1HE TRP 53 -0.373 -1.571 -9.632 356 HE3 TRP 53 3HE TRP 53 0.813 -2.666 -4.564 357 HZ2 TRP 53 2HZ TRP 53 0.486 -4.268 -9.280 358 HZ3 TRP 53 3HZ TRP 53 1.405 -5.004 -5.170 359 HH2 TRP 53 HH2 TRP 53 1.242 -5.775 -7.489 360 H GLY 54 H GLY 54 1.991 -0.285 -3.606 361 1HA GLY 54 1HA GLY 54 4.111 -1.406 -5.178 362 2HA GLY 54 2HA GLY 54 4.671 -0.249 -3.970 363 H PHE 55 H PHE 55 5.017 -3.190 -4.144 364 HA PHE 55 HA PHE 55 3.428 -4.557 -2.319 365 1HB PHE 55 1HB PHE 55 6.251 -4.912 -3.273 366 2HB PHE 55 2HB PHE 55 5.560 -5.988 -2.069 367 HD1 PHE 55 1HD PHE 55 2.763 -5.362 -3.752 368 HD2 PHE 55 2HD PHE 55 6.555 -7.135 -4.486 369 HE1 PHE 55 1HE PHE 55 1.765 -6.772 -5.506 370 HE2 PHE 55 2HE PHE 55 5.564 -8.548 -6.242 371 HZ PHE 55 HZ PHE 55 3.166 -8.360 -6.760 372 H CYS 56 H CYS 56 4.121 -5.410 -0.220 373 HA CYS 56 HA CYS 56 4.581 -3.361 1.644 374 1HB CYS 56 1HB CYS 56 3.417 -5.643 1.984 375 2HB CYS 56 2HB CYS 56 5.040 -6.287 2.198 376 HA PRO 57 HA PRO 57 9.014 -3.059 1.390 377 1HB PRO 57 1HB PRO 57 9.493 -1.635 3.584 378 2HB PRO 57 2HB PRO 57 8.675 -0.935 2.175 379 1HG PRO 57 1HG PRO 57 7.480 -2.154 4.620 380 2HG PRO 57 2HG PRO 57 7.148 -0.548 3.942 381 1HD PRO 57 1HD PRO 57 5.516 -2.591 3.450 382 2HD PRO 57 2HD PRO 57 5.944 -1.459 2.143 383 H ASP 58 H ASP 58 10.454 -2.759 3.863 384 HA ASP 58 HA ASP 58 11.400 -5.346 4.233 385 1HB ASP 58 1HB ASP 58 12.504 -3.142 4.870 386 2HB ASP 58 2HB ASP 58 11.539 -3.199 6.341 387 H GLN 59 H GLN 59 10.202 -6.996 4.894 388 HA GLN 59 HA GLN 59 8.295 -6.613 7.087 389 1HB GLN 59 1HB GLN 59 8.568 -8.852 5.067 390 2HB GLN 59 2HB GLN 59 7.379 -8.820 6.362 391 1HG GLN 59 1HG GLN 59 6.282 -6.953 5.403 392 2HG GLN 59 2HG GLN 59 7.592 -6.694 4.253 393 1HE2 GLN 59 1HE2 GLN 59 4.537 -9.084 3.342 394 2HE2 GLN 59 2HE2 GLN 59 4.590 -8.064 4.738 395 H GLY 60 H GLY 60 9.566 -6.738 8.892 396 1HA GLY 60 1HA GLY 60 11.376 -9.015 9.186 397 2HA GLY 60 2HA GLY 60 11.252 -7.638 10.273 Start of MODEL 37 1 H SER 1 1H SER 1 19.248 3.300 6.056 2 HA SER 1 HA SER 1 17.299 4.329 6.962 3 1HB SER 1 1HB SER 1 18.154 5.490 4.297 4 2HB SER 1 2HB SER 1 17.553 6.385 5.693 5 HG SER 1 HG SER 1 19.588 6.511 6.225 6 H TRP 2 H TRP 2 16.212 2.079 5.427 7 HA TRP 2 HA TRP 2 14.255 1.387 4.545 8 1HB TRP 2 1HB TRP 2 13.355 4.157 5.355 9 2HB TRP 2 2HB TRP 2 12.272 2.928 4.700 10 HD1 TRP 2 HD1 TRP 2 12.841 0.399 6.193 11 HE1 TRP 2 1HE TRP 2 12.607 0.164 8.747 12 HE3 TRP 2 3HE TRP 2 13.235 5.328 7.479 13 HZ2 TRP 2 2HZ TRP 2 12.588 1.862 11.007 14 HZ3 TRP 2 3HZ TRP 2 13.103 5.939 9.859 15 HH2 TRP 2 HH2 TRP 2 12.787 4.243 11.582 16 H MET 3 H MET 3 14.720 0.970 2.492 17 HA MET 3 HA MET 3 15.008 3.053 0.543 18 1HB MET 3 1HB MET 3 15.296 1.152 -1.050 19 2HB MET 3 2HB MET 3 16.432 1.158 0.284 20 1HG MET 3 1HG MET 3 13.943 -0.529 0.243 21 2HG MET 3 2HG MET 3 15.494 -1.080 -0.383 22 1HE MET 3 1HE MET 3 15.277 -3.121 1.078 23 2HE MET 3 2HE MET 3 15.396 -3.158 2.837 24 3HE MET 3 3HE MET 3 13.883 -2.677 2.068 25 H SER 4 H SER 4 12.756 3.853 1.060 26 HA SER 4 HA SER 4 10.516 4.068 0.621 27 1HB SER 4 1HB SER 4 11.652 3.282 -2.037 28 2HB SER 4 2HB SER 4 10.115 4.125 -1.808 29 HG SER 4 HG SER 4 11.248 5.905 -1.753 30 H THR 5 H THR 5 9.548 2.473 -1.815 31 HA THR 5 HA THR 5 8.522 0.238 -0.245 32 HB THR 5 HB THR 5 6.853 0.158 -2.203 33 HG1 THR 5 1HG THR 5 7.676 1.411 -3.736 34 1HG2 THR 5 1HG2 THR 5 5.519 2.043 -1.409 35 2HG2 THR 5 2HG2 THR 5 6.129 1.047 -0.088 36 3HG2 THR 5 3HG2 THR 5 6.890 2.597 -0.453 37 H VAL 6 H VAL 6 7.791 -1.589 -1.758 38 HA VAL 6 HA VAL 6 9.807 -2.338 -3.718 39 HB VAL 6 HB VAL 6 10.581 -3.711 -2.050 40 1HG1 VAL 6 1HG1 VAL 6 8.099 -3.046 -0.750 41 2HG1 VAL 6 2HG1 VAL 6 8.496 -4.747 -0.519 42 3HG1 VAL 6 3HG1 VAL 6 9.646 -3.500 -0.036 43 1HG2 VAL 6 1HG2 VAL 6 8.179 -5.273 -2.928 44 2HG2 VAL 6 2HG2 VAL 6 9.759 -5.240 -3.717 45 3HG2 VAL 6 3HG2 VAL 6 9.588 -5.943 -2.108 46 H GLY 7 H GLY 7 8.748 -3.990 -5.230 47 1HA GLY 7 1HA GLY 7 6.810 -4.732 -6.358 48 2HA GLY 7 2HA GLY 7 5.946 -4.420 -4.880 49 H GLY 8 H GLY 8 4.201 -3.521 -5.888 50 1HA GLY 8 1HA GLY 8 2.919 -1.881 -6.849 51 2HA GLY 8 2HA GLY 8 3.948 -0.835 -5.898 52 H ASN 9 H ASN 9 3.951 0.855 -7.247 53 HA ASN 9 HA ASN 9 5.738 0.719 -9.500 54 1HB ASN 9 1HB ASN 9 4.159 1.715 -11.125 55 2HB ASN 9 2HB ASN 9 3.713 0.090 -10.651 56 1HD2 ASN 9 1HD2 ASN 9 1.306 2.349 -8.501 57 2HD2 ASN 9 2HD2 ASN 9 2.961 2.019 -8.140 58 H SER 10 H SER 10 5.558 2.025 -6.910 59 HA SER 10 HA SER 10 5.049 4.809 -7.344 60 1HB SER 10 1HB SER 10 6.419 4.723 -5.025 61 2HB SER 10 2HB SER 10 4.700 4.362 -5.134 62 HG SER 10 HG SER 10 6.312 2.777 -4.087 63 H GLY 11 H GLY 11 7.890 2.717 -7.286 64 1HA GLY 11 1HA GLY 11 9.917 3.200 -8.390 65 2HA GLY 11 2HA GLY 11 9.437 4.887 -8.478 66 H GLY 12 H GLY 12 9.195 5.902 -6.169 67 1HA GLY 12 1HA GLY 12 11.140 4.846 -4.279 68 2HA GLY 12 2HA GLY 12 11.552 6.386 -5.014 69 H ALA 13 H ALA 13 8.274 5.452 -4.315 70 HA ALA 13 HA ALA 13 8.094 7.647 -2.377 71 1HB ALA 13 1HB ALA 13 6.472 6.941 -4.517 72 2HB ALA 13 2HB ALA 13 5.569 6.416 -3.095 73 3HB ALA 13 3HB ALA 13 6.091 8.095 -3.240 74 HA PRO 14 HA PRO 14 7.442 4.623 0.814 75 1HB PRO 14 1HB PRO 14 6.861 6.281 2.843 76 2HB PRO 14 2HB PRO 14 8.481 6.215 2.141 77 1HG PRO 14 1HG PRO 14 6.362 8.270 1.832 78 2HG PRO 14 2HG PRO 14 8.125 8.450 1.783 79 1HD PRO 14 1HD PRO 14 6.352 8.290 -0.428 80 2HD PRO 14 2HD PRO 14 8.125 8.258 -0.477 81 H CYS 15 H CYS 15 5.735 3.888 2.364 82 HA CYS 15 HA CYS 15 3.136 4.155 1.134 83 1HB CYS 15 1HB CYS 15 4.025 2.533 3.539 84 2HB CYS 15 2HB CYS 15 2.417 2.476 2.828 85 H VAL 16 H VAL 16 1.719 5.665 1.646 86 HA VAL 16 HA VAL 16 2.061 7.316 3.996 87 HB VAL 16 HB VAL 16 -0.069 7.386 1.850 88 1HG1 VAL 16 1HG1 VAL 16 -0.115 8.636 4.295 89 2HG1 VAL 16 2HG1 VAL 16 0.546 9.869 3.221 90 3HG1 VAL 16 3HG1 VAL 16 -1.013 9.127 2.858 91 1HG2 VAL 16 1HG2 VAL 16 2.519 7.821 1.395 92 2HG2 VAL 16 2HG2 VAL 16 1.238 8.748 0.605 93 3HG2 VAL 16 3HG2 VAL 16 2.075 9.417 2.004 94 H PHE 17 H PHE 17 1.216 6.794 5.898 95 HA PHE 17 HA PHE 17 -1.242 5.200 5.963 96 1HB PHE 17 1HB PHE 17 1.094 5.299 7.870 97 2HB PHE 17 2HB PHE 17 -0.444 4.570 8.289 98 HD1 PHE 17 1HD PHE 17 -0.595 3.728 5.128 99 HD2 PHE 17 2HD PHE 17 1.987 3.042 8.430 100 HE1 PHE 17 1HE PHE 17 0.169 1.634 4.098 101 HE2 PHE 17 2HE PHE 17 2.762 0.947 7.417 102 HZ PHE 17 HZ PHE 17 1.870 0.222 5.224 103 HA PRO 18 HA PRO 18 -2.777 4.722 6.973 104 1HB PRO 18 1HB PRO 18 -5.431 5.572 7.205 105 2HB PRO 18 2HB PRO 18 -4.487 4.755 8.452 106 1HG PRO 18 1HG PRO 18 -5.439 7.435 8.468 107 2HG PRO 18 2HG PRO 18 -4.406 6.650 9.671 108 1HD PRO 18 1HD PRO 18 -3.684 8.508 7.493 109 2HD PRO 18 2HD PRO 18 -2.826 8.139 9.002 110 H PHE 19 H PHE 19 -3.290 3.997 4.975 111 HA PHE 19 HA PHE 19 -4.160 6.030 3.030 112 1HB PHE 19 1HB PHE 19 -3.391 4.610 1.260 113 2HB PHE 19 2HB PHE 19 -2.094 4.783 2.433 114 HD1 PHE 19 1HD PHE 19 -1.717 2.871 4.065 115 HD2 PHE 19 2HD PHE 19 -4.126 2.518 0.585 116 HE1 PHE 19 1HE PHE 19 -1.448 0.424 4.129 117 HE2 PHE 19 2HE PHE 19 -3.858 0.079 0.628 118 HZ PHE 19 HZ PHE 19 -2.510 -0.974 2.411 119 H THR 20 H THR 20 -6.138 5.936 2.198 120 HA THR 20 HA THR 20 -7.849 3.822 3.231 121 HB THR 20 HB THR 20 -8.653 6.243 1.599 122 HG1 THR 20 1HG THR 20 -7.927 7.303 3.259 123 1HG2 THR 20 1HG2 THR 20 -10.639 5.921 3.350 124 2HG2 THR 20 2HG2 THR 20 -10.627 5.179 1.749 125 3HG2 THR 20 3HG2 THR 20 -10.144 4.238 3.160 126 H PHE 21 H PHE 21 -8.582 2.177 2.158 127 HA PHE 21 HA PHE 21 -8.660 2.258 -0.787 128 1HB PHE 21 1HB PHE 21 -6.703 0.909 0.267 129 2HB PHE 21 2HB PHE 21 -7.948 -0.215 0.757 130 HD1 PHE 21 1HD PHE 21 -8.561 1.409 -2.426 131 HD2 PHE 21 2HD PHE 21 -6.692 -1.881 -0.491 132 HE1 PHE 21 1HE PHE 21 -8.368 0.234 -4.571 133 HE2 PHE 21 2HE PHE 21 -6.502 -3.059 -2.613 134 HZ PHE 21 HZ PHE 21 -7.321 -1.995 -4.686 135 H LEU 22 H LEU 22 -10.434 1.209 -1.641 136 HA LEU 22 HA LEU 22 -12.624 0.768 -1.747 137 1HB LEU 22 1HB LEU 22 -11.368 -1.342 -0.111 138 2HB LEU 22 2HB LEU 22 -12.947 -1.547 -0.855 139 HG LEU 22 HG LEU 22 -11.845 -2.324 -2.636 140 1HD1 LEU 22 1HD1 LEU 22 -10.522 0.291 -2.883 141 2HD1 LEU 22 2HD1 LEU 22 -10.601 -0.955 -4.128 142 3HD1 LEU 22 3HD1 LEU 22 -12.079 -0.160 -3.580 143 1HD2 LEU 22 1HD2 LEU 22 -10.025 -2.568 -0.800 144 2HD2 LEU 22 2HD2 LEU 22 -9.793 -3.070 -2.472 145 3HD2 LEU 22 3HD2 LEU 22 -9.180 -1.508 -1.932 146 H GLY 23 H GLY 23 -12.251 2.668 0.312 147 1HA GLY 23 1HA GLY 23 -13.838 3.652 1.714 148 2HA GLY 23 2HA GLY 23 -14.648 2.105 1.860 149 H ASN 24 H ASN 24 -11.585 1.225 2.581 150 HA ASN 24 HA ASN 24 -12.035 1.805 5.434 151 1HB ASN 24 1HB ASN 24 -10.553 -0.463 4.100 152 2HB ASN 24 2HB ASN 24 -10.686 -0.235 5.834 153 1HD2 ASN 24 1HD2 ASN 24 -13.561 -2.043 3.762 154 2HD2 ASN 24 2HD2 ASN 24 -12.043 -1.568 3.101 155 H LYS 25 H LYS 25 -10.454 2.709 6.673 156 HA LYS 25 HA LYS 25 -8.216 3.919 5.354 157 1HB LYS 25 1HB LYS 25 -9.111 3.860 8.242 158 2HB LYS 25 2HB LYS 25 -7.879 4.897 7.573 159 1HG LYS 25 1HG LYS 25 -9.453 6.089 6.245 160 2HG LYS 25 2HG LYS 25 -10.723 4.927 6.648 161 1HD LYS 25 1HD LYS 25 -10.702 5.630 8.948 162 2HD LYS 25 2HD LYS 25 -9.320 6.691 8.653 163 1HE LYS 25 1HE LYS 25 -11.420 7.956 8.736 164 2HE LYS 25 2HE LYS 25 -10.668 8.055 7.145 165 1HZ LYS 25 1HZ LYS 25 -12.218 6.142 6.543 166 2HZ LYS 25 2HZ LYS 25 -13.063 6.524 7.960 167 3HZ LYS 25 3HZ LYS 25 -12.913 7.681 6.723 168 H TYR 26 H TYR 26 -6.281 2.901 5.153 169 HA TYR 26 HA TYR 26 -5.788 0.603 6.903 170 1HB TYR 26 1HB TYR 26 -4.550 1.349 4.256 171 2HB TYR 26 2HB TYR 26 -4.161 -0.087 5.193 172 HD1 TYR 26 1HD TYR 26 -7.402 -0.034 5.918 173 HD2 TYR 26 2HD TYR 26 -4.966 -0.369 2.465 174 HE1 TYR 26 1HE TYR 26 -9.194 -1.253 4.777 175 HE2 TYR 26 2HE TYR 26 -6.740 -1.603 1.311 176 HH TYR 26 HH TYR 26 -9.567 -1.609 1.751 177 H GLU 27 H GLU 27 -4.781 1.204 8.588 178 HA GLU 27 HA GLU 27 -2.789 3.287 8.611 179 1HB GLU 27 1HB GLU 27 -3.665 1.486 10.852 180 2HB GLU 27 2HB GLU 27 -2.871 3.037 10.979 181 1HG GLU 27 1HG GLU 27 -4.843 4.088 9.917 182 2HG GLU 27 2HG GLU 27 -5.648 2.525 9.977 183 H SER 28 H SER 28 -2.806 0.038 7.987 184 HA SER 28 HA SER 28 0.080 -0.139 8.300 185 1HB SER 28 1HB SER 28 -0.329 -2.571 8.948 186 2HB SER 28 2HB SER 28 -0.684 -1.374 10.187 187 HG SER 28 HG SER 28 -2.317 -3.191 9.047 188 H CYS 29 H CYS 29 0.382 -2.698 7.158 189 HA CYS 29 HA CYS 29 -0.190 -2.105 4.425 190 1HB CYS 29 1HB CYS 29 0.892 -4.590 5.747 191 2HB CYS 29 2HB CYS 29 0.652 -4.447 4.018 192 H THR 30 H THR 30 -1.193 -3.867 3.053 193 HA THR 30 HA THR 30 -3.435 -5.235 4.293 194 HB THR 30 HB THR 30 -4.298 -2.916 3.767 195 HG1 THR 30 1HG THR 30 -5.871 -4.375 3.687 196 1HG2 THR 30 1HG2 THR 30 -4.662 -3.088 0.998 197 2HG2 THR 30 2HG2 THR 30 -3.691 -1.913 1.887 198 3HG2 THR 30 3HG2 THR 30 -2.946 -3.387 1.271 199 H SER 31 H SER 31 -4.681 -6.395 2.478 200 HA SER 31 HA SER 31 -2.873 -7.158 0.298 201 1HB SER 31 1HB SER 31 -3.851 -9.513 0.556 202 2HB SER 31 2HB SER 31 -2.693 -8.994 1.795 203 HG SER 31 HG SER 31 -5.440 -9.488 1.980 204 H ALA 32 H ALA 32 -5.166 -5.345 0.791 205 HA ALA 32 HA ALA 32 -7.508 -6.265 -0.457 206 1HB ALA 32 1HB ALA 32 -6.706 -3.956 0.864 207 2HB ALA 32 2HB ALA 32 -7.042 -3.414 -0.780 208 3HB ALA 32 3HB ALA 32 -8.292 -4.245 0.143 209 H GLY 33 H GLY 33 -8.290 -6.100 -2.476 210 1HA GLY 33 1HA GLY 33 -8.332 -5.804 -4.750 211 2HA GLY 33 2HA GLY 33 -6.977 -4.700 -4.578 212 H ARG 34 H ARG 34 -5.915 -7.403 -3.077 213 HA ARG 34 HA ARG 34 -4.617 -8.295 -5.543 214 1HB ARG 34 1HB ARG 34 -3.788 -8.965 -2.728 215 2HB ARG 34 2HB ARG 34 -2.874 -9.174 -4.198 216 1HG ARG 34 1HG ARG 34 -3.182 -6.569 -4.372 217 2HG ARG 34 2HG ARG 34 -3.351 -6.726 -2.620 218 1HD ARG 34 1HD ARG 34 -1.010 -6.334 -3.227 219 2HD ARG 34 2HD ARG 34 -1.213 -7.939 -2.518 220 HE ARG 34 HE ARG 34 -0.541 -8.859 -4.489 221 1HH1 ARG 34 1HH1 ARG 34 -1.501 -5.548 -5.068 222 2HH1 ARG 34 2HH1 ARG 34 -1.015 -5.548 -6.732 223 1HH2 ARG 34 1HH2 ARG 34 0.104 -8.869 -6.690 224 2HH2 ARG 34 2HH2 ARG 34 -0.071 -7.434 -7.653 225 H SER 35 H SER 35 -4.838 -10.261 -6.340 226 HA SER 35 HA SER 35 -6.550 -12.149 -4.874 227 1HB SER 35 1HB SER 35 -6.749 -13.197 -7.237 228 2HB SER 35 2HB SER 35 -7.593 -11.676 -6.937 229 HG SER 35 HG SER 35 -5.754 -12.201 -8.781 230 H ASP 36 H ASP 36 -3.431 -11.495 -5.347 231 HA ASP 36 HA ASP 36 -2.479 -14.172 -5.866 232 1HB ASP 36 1HB ASP 36 -0.214 -12.985 -5.447 233 2HB ASP 36 2HB ASP 36 -1.099 -12.634 -6.920 234 H GLY 37 H GLY 37 -1.202 -11.968 -3.483 235 1HA GLY 37 1HA GLY 37 -2.166 -13.144 -1.185 236 2HA GLY 37 2HA GLY 37 -0.750 -14.076 -1.626 237 H LYS 38 H LYS 38 0.626 -11.692 -2.729 238 HA LYS 38 HA LYS 38 2.081 -10.940 -0.489 239 1HB LYS 38 1HB LYS 38 1.726 -9.508 -3.122 240 2HB LYS 38 2HB LYS 38 3.010 -9.193 -1.963 241 1HG LYS 38 1HG LYS 38 3.915 -10.522 -3.673 242 2HG LYS 38 2HG LYS 38 3.755 -11.560 -2.269 243 1HD LYS 38 1HD LYS 38 1.923 -12.695 -3.219 244 2HD LYS 38 2HD LYS 38 1.686 -11.455 -4.453 245 1HE LYS 38 1HE LYS 38 4.061 -13.306 -4.245 246 2HE LYS 38 2HE LYS 38 2.711 -13.491 -5.370 247 1HZ LYS 38 1HZ LYS 38 3.326 -11.215 -6.213 248 2HZ LYS 38 2HZ LYS 38 4.761 -11.335 -5.304 249 3HZ LYS 38 3HZ LYS 38 4.441 -12.447 -6.555 250 H MET 39 H MET 39 2.090 -9.125 0.814 251 HA MET 39 HA MET 39 -0.382 -7.576 0.808 252 1HB MET 39 1HB MET 39 1.753 -7.635 2.945 253 2HB MET 39 2HB MET 39 0.109 -7.037 3.073 254 1HG MET 39 1HG MET 39 -0.791 -9.246 2.904 255 2HG MET 39 2HG MET 39 0.811 -9.914 2.597 256 1HE MET 39 1HE MET 39 0.169 -11.639 4.273 257 2HE MET 39 2HE MET 39 0.286 -11.447 6.023 258 3HE MET 39 3HE MET 39 -1.197 -10.994 5.182 259 H TRP 40 H TRP 40 -0.308 -5.281 0.897 260 HA TRP 40 HA TRP 40 2.279 -4.045 0.244 261 1HB TRP 40 1HB TRP 40 1.215 -2.786 -1.605 262 2HB TRP 40 2HB TRP 40 1.202 -4.522 -1.912 263 HD1 TRP 40 HD1 TRP 40 -1.282 -5.740 -1.206 264 HE1 TRP 40 1HE TRP 40 -3.656 -4.817 -1.569 265 HE3 TRP 40 3HE TRP 40 -0.144 -0.814 -1.873 266 HZ2 TRP 40 2HZ TRP 40 -4.875 -2.340 -2.037 267 HZ3 TRP 40 3HZ TRP 40 -1.981 0.774 -2.252 268 HH2 TRP 40 HH2 TRP 40 -4.300 0.023 -2.342 269 H CYS 41 H CYS 41 1.569 -1.556 -0.254 270 HA CYS 41 HA CYS 41 -0.406 -0.513 1.546 271 1HB CYS 41 1HB CYS 41 1.393 1.006 2.641 272 2HB CYS 41 2HB CYS 41 1.162 -0.621 3.266 273 H ALA 42 H ALA 42 -1.095 1.492 0.814 274 HA ALA 42 HA ALA 42 -0.200 2.254 -1.775 275 1HB ALA 42 1HB ALA 42 -2.518 2.611 -0.539 276 2HB ALA 42 2HB ALA 42 -1.791 4.183 -0.205 277 3HB ALA 42 3HB ALA 42 -1.985 3.635 -1.871 278 H THR 43 H THR 43 0.708 4.143 -2.451 279 HA THR 43 HA THR 43 2.534 5.350 -0.512 280 HB THR 43 HB THR 43 3.819 6.009 -2.518 281 HG1 THR 43 1HG THR 43 2.742 6.090 -4.327 282 1HG2 THR 43 1HG2 THR 43 3.596 3.328 -3.382 283 2HG2 THR 43 2HG2 THR 43 4.816 4.041 -2.324 284 3HG2 THR 43 3HG2 THR 43 3.347 3.347 -1.635 285 H THR 44 H THR 44 -0.410 5.810 -1.469 286 HA THR 44 HA THR 44 -0.245 8.742 -1.505 287 HB THR 44 HB THR 44 -2.325 8.669 -2.925 288 HG1 THR 44 1HG THR 44 -2.995 6.562 -2.554 289 1HG2 THR 44 1HG2 THR 44 -1.214 7.964 -5.031 290 2HG2 THR 44 2HG2 THR 44 -0.289 9.124 -4.077 291 3HG2 THR 44 3HG2 THR 44 0.159 7.417 -4.068 292 H ALA 45 H ALA 45 -1.776 9.805 -0.225 293 HA ALA 45 HA ALA 45 -2.705 8.556 2.073 294 1HB ALA 45 1HB ALA 45 -2.415 11.014 1.774 295 2HB ALA 45 2HB ALA 45 -3.906 11.029 0.832 296 3HB ALA 45 3HB ALA 45 -3.943 10.564 2.531 297 H ASN 46 H ASN 46 -4.535 9.388 -0.866 298 HA ASN 46 HA ASN 46 -6.614 7.501 0.018 299 1HB ASN 46 1HB ASN 46 -7.401 9.868 -0.263 300 2HB ASN 46 2HB ASN 46 -6.956 9.767 -1.967 301 1HD2 ASN 46 1HD2 ASN 46 -10.448 8.371 -0.664 302 2HD2 ASN 46 2HD2 ASN 46 -9.347 9.265 0.314 303 H TYR 47 H TYR 47 -6.067 5.632 -0.880 304 HA TYR 47 HA TYR 47 -4.731 5.468 -3.398 305 1HB TYR 47 1HB TYR 47 -4.364 3.864 -1.532 306 2HB TYR 47 2HB TYR 47 -5.990 3.240 -1.802 307 HD1 TYR 47 1HD TYR 47 -2.599 3.477 -3.177 308 HD2 TYR 47 2HD TYR 47 -6.470 1.812 -3.676 309 HE1 TYR 47 1HE TYR 47 -1.709 1.924 -4.852 310 HE2 TYR 47 2HE TYR 47 -5.591 0.260 -5.355 311 HH TYR 47 HH TYR 47 -2.886 0.631 -6.947 312 H ASP 48 H ASP 48 -8.077 5.212 -2.400 313 HA ASP 48 HA ASP 48 -9.095 3.793 -4.547 314 1HB ASP 48 1HB ASP 48 -10.299 5.943 -2.838 315 2HB ASP 48 2HB ASP 48 -11.207 5.209 -4.154 316 H ASP 49 H ASP 49 -8.281 7.201 -4.337 317 HA ASP 49 HA ASP 49 -9.307 7.763 -6.978 318 1HB ASP 49 1HB ASP 49 -7.880 9.425 -4.914 319 2HB ASP 49 2HB ASP 49 -8.278 10.039 -6.511 320 H ASP 50 H ASP 50 -6.087 7.876 -5.432 321 HA ASP 50 HA ASP 50 -4.751 8.398 -7.913 322 1HB ASP 50 1HB ASP 50 -3.855 7.872 -5.105 323 2HB ASP 50 2HB ASP 50 -2.684 7.877 -6.422 324 H ARG 51 H ARG 51 -4.958 5.552 -5.820 325 HA ARG 51 HA ARG 51 -4.520 3.395 -6.108 326 1HB ARG 51 1HB ARG 51 -4.942 4.034 -9.010 327 2HB ARG 51 2HB ARG 51 -4.947 2.420 -8.303 328 1HG ARG 51 1HG ARG 51 -6.644 4.073 -6.789 329 2HG ARG 51 2HG ARG 51 -7.077 4.251 -8.491 330 1HD ARG 51 1HD ARG 51 -6.615 1.537 -7.373 331 2HD ARG 51 2HD ARG 51 -8.115 2.370 -6.973 332 HE ARG 51 HE ARG 51 -7.505 1.102 -9.428 333 1HH1 ARG 51 1HH1 ARG 51 -9.070 3.948 -8.129 334 2HH1 ARG 51 2HH1 ARG 51 -10.151 4.139 -9.473 335 1HH2 ARG 51 1HH2 ARG 51 -8.915 1.316 -11.192 336 2HH2 ARG 51 2HH2 ARG 51 -10.057 2.633 -11.238 337 H LYS 52 H LYS 52 -2.295 5.048 -5.861 338 HA LYS 52 HA LYS 52 -0.312 3.631 -7.488 339 1HB LYS 52 1HB LYS 52 -0.138 6.275 -6.038 340 2HB LYS 52 2HB LYS 52 1.297 5.423 -6.605 341 1HG LYS 52 1HG LYS 52 1.026 6.391 -8.579 342 2HG LYS 52 2HG LYS 52 -0.452 5.455 -8.782 343 1HD LYS 52 1HD LYS 52 -1.038 7.704 -9.170 344 2HD LYS 52 2HD LYS 52 -1.652 7.307 -7.561 345 1HE LYS 52 1HE LYS 52 0.174 8.462 -6.518 346 2HE LYS 52 2HE LYS 52 0.984 8.683 -8.070 347 1HZ LYS 52 1HZ LYS 52 -0.930 10.049 -8.780 348 2HZ LYS 52 2HZ LYS 52 -1.584 9.926 -7.224 349 3HZ LYS 52 3HZ LYS 52 -0.098 10.717 -7.453 350 H TRP 53 H TRP 53 0.590 1.990 -6.531 351 HA TRP 53 HA TRP 53 0.699 1.937 -3.587 352 1HB TRP 53 1HB TRP 53 0.053 -0.383 -3.702 353 2HB TRP 53 2HB TRP 53 -1.118 0.591 -4.521 354 HD1 TRP 53 HD1 TRP 53 -0.695 0.628 -7.407 355 HE1 TRP 53 1HE TRP 53 -0.068 -1.414 -8.861 356 HE3 TRP 53 3HE TRP 53 1.082 -2.312 -3.743 357 HZ2 TRP 53 2HZ TRP 53 1.081 -3.992 -8.441 358 HZ3 TRP 53 3HZ TRP 53 1.960 -4.574 -4.295 359 HH2 TRP 53 HH2 TRP 53 1.952 -5.387 -6.610 360 H GLY 54 H GLY 54 1.883 0.064 -2.779 361 1HA GLY 54 1HA GLY 54 4.216 -0.858 -4.196 362 2HA GLY 54 2HA GLY 54 4.559 0.250 -2.865 363 H PHE 55 H PHE 55 5.046 -2.704 -3.165 364 HA PHE 55 HA PHE 55 3.267 -4.099 -1.494 365 1HB PHE 55 1HB PHE 55 6.042 -4.601 -2.491 366 2HB PHE 55 2HB PHE 55 5.360 -5.640 -1.254 367 HD1 PHE 55 1HD PHE 55 2.556 -5.758 -2.158 368 HD2 PHE 55 2HD PHE 55 6.187 -5.984 -4.350 369 HE1 PHE 55 1HE PHE 55 1.427 -7.143 -3.852 370 HE2 PHE 55 2HE PHE 55 5.071 -7.359 -6.062 371 HZ PHE 55 HZ PHE 55 2.688 -7.943 -5.816 372 H CYS 56 H CYS 56 3.878 -5.132 0.554 373 HA CYS 56 HA CYS 56 4.650 -3.200 2.522 374 1HB CYS 56 1HB CYS 56 3.074 -5.362 2.634 375 2HB CYS 56 2HB CYS 56 4.578 -6.156 3.077 376 HA PRO 57 HA PRO 57 9.040 -3.789 2.587 377 1HB PRO 57 1HB PRO 57 9.699 -4.210 5.175 378 2HB PRO 57 2HB PRO 57 9.247 -2.627 4.522 379 1HG PRO 57 1HG PRO 57 7.525 -4.678 5.824 380 2HG PRO 57 2HG PRO 57 7.669 -2.961 6.263 381 1HD PRO 57 1HD PRO 57 5.633 -3.734 4.787 382 2HD PRO 57 2HD PRO 57 6.546 -2.296 4.276 383 H ASP 58 H ASP 58 10.416 -5.337 4.616 384 HA ASP 58 HA ASP 58 10.859 -7.676 3.152 385 1HB ASP 58 1HB ASP 58 12.396 -6.540 4.849 386 2HB ASP 58 2HB ASP 58 11.493 -7.422 6.077 387 H GLN 59 H GLN 59 9.623 -9.375 2.902 388 HA GLN 59 HA GLN 59 7.939 -10.272 5.144 389 1HB GLN 59 1HB GLN 59 7.360 -10.348 2.182 390 2HB GLN 59 2HB GLN 59 6.418 -11.225 3.377 391 1HG GLN 59 1HG GLN 59 5.905 -9.057 4.466 392 2HG GLN 59 2HG GLN 59 6.728 -8.248 3.131 393 1HE2 GLN 59 1HE2 GLN 59 3.957 -10.187 1.172 394 2HE2 GLN 59 2HE2 GLN 59 5.500 -10.803 1.644 395 H GLY 60 H GLY 60 7.435 -12.597 5.092 396 1HA GLY 60 1HA GLY 60 9.627 -14.164 3.890 397 2HA GLY 60 2HA GLY 60 9.096 -14.423 5.546 Start of MODEL 38 1 H SER 1 1H SER 1 13.526 9.489 3.417 2 HA SER 1 HA SER 1 14.142 8.444 5.743 3 1HB SER 1 1HB SER 1 13.068 10.629 5.227 4 2HB SER 1 2HB SER 1 11.521 9.802 5.035 5 HG SER 1 HG SER 1 11.373 10.278 7.106 6 H TRP 2 H TRP 2 10.856 7.942 4.393 7 HA TRP 2 HA TRP 2 10.245 5.905 6.320 8 1HB TRP 2 1HB TRP 2 8.831 6.946 3.875 9 2HB TRP 2 2HB TRP 2 8.217 5.563 4.769 10 HD1 TRP 2 HD1 TRP 2 6.359 7.945 4.595 11 HE1 TRP 2 1HE TRP 2 5.717 9.348 6.651 12 HE3 TRP 2 3HE TRP 2 10.334 6.830 7.626 13 HZ2 TRP 2 2HZ TRP 2 6.750 9.906 9.216 14 HZ3 TRP 2 3HZ TRP 2 10.430 7.845 9.859 15 HH2 TRP 2 HH2 TRP 2 8.671 9.354 10.637 16 H MET 3 H MET 3 9.003 3.891 5.118 17 HA MET 3 HA MET 3 11.140 2.280 4.164 18 1HB MET 3 1HB MET 3 9.451 0.514 3.972 19 2HB MET 3 2HB MET 3 9.371 1.312 5.530 20 1HG MET 3 1HG MET 3 7.549 1.960 3.228 21 2HG MET 3 2HG MET 3 7.169 0.768 4.468 22 1HE MET 3 1HE MET 3 7.621 1.268 6.853 23 2HE MET 3 2HE MET 3 8.151 2.852 7.422 24 3HE MET 3 3HE MET 3 6.451 2.394 7.539 25 H SER 4 H SER 4 11.447 1.379 2.135 26 HA SER 4 HA SER 4 10.335 2.964 -0.045 27 1HB SER 4 1HB SER 4 12.521 0.861 -0.094 28 2HB SER 4 2HB SER 4 12.090 1.944 -1.418 29 HG SER 4 HG SER 4 13.907 2.450 0.260 30 H THR 5 H THR 5 9.688 1.782 -2.075 31 HA THR 5 HA THR 5 8.132 -0.576 -1.295 32 HB THR 5 HB THR 5 6.850 0.111 -3.444 33 HG1 THR 5 1HG THR 5 7.483 2.714 -2.902 34 1HG2 THR 5 1HG2 THR 5 6.661 1.921 -1.057 35 2HG2 THR 5 2HG2 THR 5 5.400 1.586 -2.244 36 3HG2 THR 5 3HG2 THR 5 5.945 0.313 -1.149 37 H VAL 6 H VAL 6 7.841 -2.249 -2.695 38 HA VAL 6 HA VAL 6 9.691 -2.602 -4.926 39 HB VAL 6 HB VAL 6 10.843 -4.019 -3.578 40 1HG1 VAL 6 1HG1 VAL 6 8.641 -3.508 -1.743 41 2HG1 VAL 6 2HG1 VAL 6 9.378 -5.096 -1.537 42 3HG1 VAL 6 3HG1 VAL 6 10.372 -3.641 -1.422 43 1HG2 VAL 6 1HG2 VAL 6 9.386 -5.586 -4.961 44 2HG2 VAL 6 2HG2 VAL 6 10.192 -6.260 -3.543 45 3HG2 VAL 6 3HG2 VAL 6 8.483 -5.843 -3.467 46 H GLY 7 H GLY 7 8.744 -4.472 -6.379 47 1HA GLY 7 1HA GLY 7 6.846 -5.608 -7.220 48 2HA GLY 7 2HA GLY 7 6.009 -5.164 -5.767 49 H GLY 8 H GLY 8 5.113 -3.121 -5.586 50 1HA GLY 8 1HA GLY 8 3.353 -2.334 -7.499 51 2HA GLY 8 2HA GLY 8 3.914 -1.265 -6.237 52 H ASN 9 H ASN 9 3.071 -0.242 -8.592 53 HA ASN 9 HA ASN 9 5.215 0.120 -10.433 54 1HB ASN 9 1HB ASN 9 3.738 1.714 -11.582 55 2HB ASN 9 2HB ASN 9 2.975 0.174 -11.265 56 1HD2 ASN 9 1HD2 ASN 9 1.560 2.654 -8.506 57 2HD2 ASN 9 2HD2 ASN 9 3.130 1.937 -8.471 58 H SER 10 H SER 10 4.635 1.576 -7.458 59 HA SER 10 HA SER 10 6.049 4.024 -8.217 60 1HB SER 10 1HB SER 10 5.146 3.470 -5.420 61 2HB SER 10 2HB SER 10 5.230 4.989 -6.292 62 HG SER 10 HG SER 10 3.061 4.025 -5.899 63 H GLY 11 H GLY 11 7.351 1.418 -8.187 64 1HA GLY 11 1HA GLY 11 8.751 0.666 -5.983 65 2HA GLY 11 2HA GLY 11 9.434 0.632 -7.597 66 H GLY 12 H GLY 12 9.406 2.161 -4.535 67 1HA GLY 12 1HA GLY 12 11.704 3.138 -4.084 68 2HA GLY 12 2HA GLY 12 11.369 4.146 -5.484 69 H ALA 13 H ALA 13 8.446 4.352 -4.626 70 HA ALA 13 HA ALA 13 8.895 6.618 -2.858 71 1HB ALA 13 1HB ALA 13 7.410 6.850 -4.807 72 2HB ALA 13 2HB ALA 13 6.318 5.664 -4.094 73 3HB ALA 13 3HB ALA 13 6.589 7.209 -3.288 74 HA PRO 14 HA PRO 14 7.814 4.550 0.872 75 1HB PRO 14 1HB PRO 14 6.829 7.118 1.883 76 2HB PRO 14 2HB PRO 14 8.222 6.167 2.402 77 1HG PRO 14 1HG PRO 14 8.472 8.513 1.076 78 2HG PRO 14 2HG PRO 14 9.645 7.192 0.916 79 1HD PRO 14 1HD PRO 14 7.449 8.017 -0.949 80 2HD PRO 14 2HD PRO 14 9.092 7.450 -1.310 81 H CYS 15 H CYS 15 6.041 3.724 1.950 82 HA CYS 15 HA CYS 15 3.470 4.143 0.689 83 1HB CYS 15 1HB CYS 15 4.352 2.294 2.921 84 2HB CYS 15 2HB CYS 15 2.699 2.376 2.324 85 H VAL 16 H VAL 16 2.149 5.716 1.322 86 HA VAL 16 HA VAL 16 2.512 7.113 3.803 87 HB VAL 16 HB VAL 16 0.331 7.391 1.727 88 1HG1 VAL 16 1HG1 VAL 16 -0.363 8.280 3.890 89 2HG1 VAL 16 2HG1 VAL 16 1.113 9.241 3.983 90 3HG1 VAL 16 3HG1 VAL 16 -0.084 9.584 2.736 91 1HG2 VAL 16 1HG2 VAL 16 3.048 8.576 2.018 92 2HG2 VAL 16 2HG2 VAL 16 2.205 8.033 0.568 93 3HG2 VAL 16 3HG2 VAL 16 1.760 9.561 1.326 94 H PHE 17 H PHE 17 1.691 6.501 5.695 95 HA PHE 17 HA PHE 17 -0.749 4.866 5.706 96 1HB PHE 17 1HB PHE 17 1.655 4.867 7.514 97 2HB PHE 17 2HB PHE 17 0.143 4.112 7.983 98 HD1 PHE 17 1HD PHE 17 -0.058 3.477 4.727 99 HD2 PHE 17 2HD PHE 17 2.479 2.520 7.993 100 HE1 PHE 17 1HE PHE 17 0.679 1.452 3.561 101 HE2 PHE 17 2HE PHE 17 3.230 0.489 6.840 102 HZ PHE 17 HZ PHE 17 2.341 -0.065 4.590 103 HA PRO 18 HA PRO 18 -2.171 4.213 6.836 104 1HB PRO 18 1HB PRO 18 -4.788 4.641 7.229 105 2HB PRO 18 2HB PRO 18 -3.683 4.336 8.571 106 1HG PRO 18 1HG PRO 18 -4.876 6.909 7.644 107 2HG PRO 18 2HG PRO 18 -4.529 6.365 9.295 108 1HD PRO 18 1HD PRO 18 -2.940 8.090 7.776 109 2HD PRO 18 2HD PRO 18 -2.419 7.208 9.228 110 H PHE 19 H PHE 19 -2.889 3.510 4.876 111 HA PHE 19 HA PHE 19 -3.815 5.610 3.023 112 1HB PHE 19 1HB PHE 19 -3.088 4.283 1.170 113 2HB PHE 19 2HB PHE 19 -1.750 4.426 2.296 114 HD1 PHE 19 1HD PHE 19 -1.373 2.434 3.895 115 HD2 PHE 19 2HD PHE 19 -3.737 2.214 0.368 116 HE1 PHE 19 1HE PHE 19 -1.093 -0.008 3.863 117 HE2 PHE 19 2HE PHE 19 -3.466 -0.226 0.328 118 HZ PHE 19 HZ PHE 19 -2.134 -1.344 2.074 119 H THR 20 H THR 20 -5.819 5.523 2.279 120 HA THR 20 HA THR 20 -7.423 3.273 3.210 121 HB THR 20 HB THR 20 -8.222 5.984 2.118 122 HG1 THR 20 1HG THR 20 -7.356 6.147 4.166 123 1HG2 THR 20 1HG2 THR 20 -10.451 5.378 3.214 124 2HG2 THR 20 2HG2 THR 20 -10.094 4.689 1.630 125 3HG2 THR 20 3HG2 THR 20 -9.908 3.706 3.082 126 H PHE 21 H PHE 21 -8.032 1.728 2.003 127 HA PHE 21 HA PHE 21 -8.004 2.051 -0.920 128 1HB PHE 21 1HB PHE 21 -6.545 0.315 0.285 129 2HB PHE 21 2HB PHE 21 -8.037 -0.553 0.581 130 HD1 PHE 21 1HD PHE 21 -8.409 1.019 -2.539 131 HD2 PHE 21 2HD PHE 21 -6.405 -2.213 -0.642 132 HE1 PHE 21 1HE PHE 21 -8.120 -0.093 -4.704 133 HE2 PHE 21 2HE PHE 21 -6.126 -3.334 -2.795 134 HZ PHE 21 HZ PHE 21 -6.974 -2.263 -4.850 135 H LEU 22 H LEU 22 -9.631 -0.499 -0.821 136 HA LEU 22 HA LEU 22 -12.054 0.336 -1.623 137 1HB LEU 22 1HB LEU 22 -11.540 -2.266 -0.227 138 2HB LEU 22 2HB LEU 22 -12.831 -1.940 -1.361 139 HG LEU 22 HG LEU 22 -11.376 -3.020 -2.729 140 1HD1 LEU 22 1HD1 LEU 22 -10.539 -0.192 -2.849 141 2HD1 LEU 22 2HD1 LEU 22 -9.902 -1.412 -3.953 142 3HD1 LEU 22 3HD1 LEU 22 -11.632 -1.074 -3.916 143 1HD2 LEU 22 1HD2 LEU 22 -9.599 -2.511 -0.625 144 2HD2 LEU 22 2HD2 LEU 22 -9.580 -3.791 -1.838 145 3HD2 LEU 22 3HD2 LEU 22 -8.803 -2.243 -2.179 146 H GLY 23 H GLY 23 -11.924 1.910 0.389 147 1HA GLY 23 1HA GLY 23 -13.511 2.844 1.838 148 2HA GLY 23 2HA GLY 23 -14.311 1.280 1.934 149 H ASN 24 H ASN 24 -10.972 0.917 2.427 150 HA ASN 24 HA ASN 24 -11.423 1.087 5.338 151 1HB ASN 24 1HB ASN 24 -9.880 -1.036 3.856 152 2HB ASN 24 2HB ASN 24 -10.112 -0.940 5.593 153 1HD2 ASN 24 1HD2 ASN 24 -12.886 -2.539 3.203 154 2HD2 ASN 24 2HD2 ASN 24 -11.355 -1.969 2.651 155 H LYS 25 H LYS 25 -9.923 2.020 6.551 156 HA LYS 25 HA LYS 25 -7.704 3.345 5.331 157 1HB LYS 25 1HB LYS 25 -8.543 3.082 8.228 158 2HB LYS 25 2HB LYS 25 -7.424 4.241 7.567 159 1HG LYS 25 1HG LYS 25 -9.126 5.404 6.416 160 2HG LYS 25 2HG LYS 25 -10.289 4.110 6.721 161 1HD LYS 25 1HD LYS 25 -10.164 4.591 9.126 162 2HD LYS 25 2HD LYS 25 -9.036 5.908 8.795 163 1HE LYS 25 1HE LYS 25 -10.726 7.070 7.504 164 2HE LYS 25 2HE LYS 25 -11.846 5.723 7.716 165 1HZ LYS 25 1HZ LYS 25 -11.651 6.137 10.167 166 2HZ LYS 25 2HZ LYS 25 -10.841 7.583 9.797 167 3HZ LYS 25 3HZ LYS 25 -12.445 7.353 9.283 168 H TYR 26 H TYR 26 -5.778 2.312 5.033 169 HA TYR 26 HA TYR 26 -5.239 0.009 6.758 170 1HB TYR 26 1HB TYR 26 -4.060 0.719 4.076 171 2HB TYR 26 2HB TYR 26 -3.697 -0.725 5.009 172 HD1 TYR 26 1HD TYR 26 -6.591 -1.213 5.945 173 HD2 TYR 26 2HD TYR 26 -4.912 -0.361 2.138 174 HE1 TYR 26 1HE TYR 26 -8.427 -2.426 4.869 175 HE2 TYR 26 2HE TYR 26 -6.740 -1.564 1.064 176 HH TYR 26 HH TYR 26 -8.684 -3.681 2.482 177 H GLU 27 H GLU 27 -4.075 0.471 8.377 178 HA GLU 27 HA GLU 27 -2.111 2.600 8.389 179 1HB GLU 27 1HB GLU 27 -2.910 0.646 10.538 180 2HB GLU 27 2HB GLU 27 -1.972 2.099 10.759 181 1HG GLU 27 1HG GLU 27 -3.822 3.495 10.335 182 2HG GLU 27 2HG GLU 27 -4.772 2.151 9.701 183 H SER 28 H SER 28 -2.273 -0.697 7.825 184 HA SER 28 HA SER 28 0.639 -0.950 7.935 185 1HB SER 28 1HB SER 28 0.083 -3.435 8.373 186 2HB SER 28 2HB SER 28 -0.102 -2.325 9.727 187 HG SER 28 HG SER 28 -1.957 -3.872 8.524 188 H CYS 29 H CYS 29 1.121 -3.109 6.515 189 HA CYS 29 HA CYS 29 0.283 -2.427 3.898 190 1HB CYS 29 1HB CYS 29 1.562 -4.988 4.834 191 2HB CYS 29 2HB CYS 29 1.480 -4.420 3.181 192 H THR 30 H THR 30 -0.814 -3.884 2.433 193 HA THR 30 HA THR 30 -2.829 -5.600 3.713 194 HB THR 30 HB THR 30 -3.855 -3.354 3.297 195 HG1 THR 30 1HG THR 30 -5.320 -4.949 3.128 196 1HG2 THR 30 1HG2 THR 30 -3.740 -3.824 0.364 197 2HG2 THR 30 2HG2 THR 30 -3.935 -2.319 1.264 198 3HG2 THR 30 3HG2 THR 30 -2.348 -3.080 1.146 199 H SER 31 H SER 31 -4.052 -6.801 1.972 200 HA SER 31 HA SER 31 -2.301 -7.418 -0.299 201 1HB SER 31 1HB SER 31 -3.061 -9.799 -0.091 202 2HB SER 31 2HB SER 31 -2.105 -9.245 1.291 203 HG SER 31 HG SER 31 -4.014 -8.995 2.469 204 H ALA 32 H ALA 32 -4.724 -5.755 0.438 205 HA ALA 32 HA ALA 32 -7.043 -6.675 -0.822 206 1HB ALA 32 1HB ALA 32 -5.985 -4.048 0.078 207 2HB ALA 32 2HB ALA 32 -7.293 -4.005 -1.107 208 3HB ALA 32 3HB ALA 32 -7.527 -4.825 0.438 209 H GLY 33 H GLY 33 -7.843 -6.523 -2.872 210 1HA GLY 33 1HA GLY 33 -7.873 -6.122 -5.145 211 2HA GLY 33 2HA GLY 33 -6.556 -4.982 -4.918 212 H ARG 34 H ARG 34 -5.372 -7.603 -3.466 213 HA ARG 34 HA ARG 34 -4.158 -8.592 -5.955 214 1HB ARG 34 1HB ARG 34 -3.089 -8.631 -3.133 215 2HB ARG 34 2HB ARG 34 -2.273 -9.295 -4.530 216 1HG ARG 34 1HG ARG 34 -2.527 -6.851 -5.441 217 2HG ARG 34 2HG ARG 34 -2.671 -6.470 -3.728 218 1HD ARG 34 1HD ARG 34 -0.340 -6.320 -4.528 219 2HD ARG 34 2HD ARG 34 -0.534 -7.549 -3.276 220 HE ARG 34 HE ARG 34 0.080 -9.140 -4.788 221 1HH1 ARG 34 1HH1 ARG 34 -0.847 -6.245 -6.532 222 2HH1 ARG 34 2HH1 ARG 34 -0.390 -6.883 -8.083 223 1HH2 ARG 34 1HH2 ARG 34 0.695 -9.966 -6.820 224 2HH2 ARG 34 2HH2 ARG 34 0.489 -8.997 -8.246 225 H SER 35 H SER 35 -4.579 -9.795 -2.653 226 HA SER 35 HA SER 35 -5.069 -11.810 -1.780 227 1HB SER 35 1HB SER 35 -7.079 -12.975 -2.717 228 2HB SER 35 2HB SER 35 -7.330 -11.272 -2.353 229 HG SER 35 HG SER 35 -6.488 -11.822 -4.935 230 H ASP 36 H ASP 36 -2.898 -11.751 -3.665 231 HA ASP 36 HA ASP 36 -3.027 -14.443 -4.800 232 1HB ASP 36 1HB ASP 36 -0.772 -13.604 -5.866 233 2HB ASP 36 2HB ASP 36 -2.313 -13.154 -6.563 234 H GLY 37 H GLY 37 -0.300 -12.571 -3.715 235 1HA GLY 37 1HA GLY 37 0.191 -14.366 -1.537 236 2HA GLY 37 2HA GLY 37 1.360 -14.457 -2.833 237 H LYS 38 H LYS 38 1.330 -11.610 -3.441 238 HA LYS 38 HA LYS 38 3.105 -10.779 -1.304 239 1HB LYS 38 1HB LYS 38 2.419 -9.045 -3.635 240 2HB LYS 38 2HB LYS 38 3.956 -9.248 -2.802 241 1HG LYS 38 1HG LYS 38 2.707 -11.323 -4.570 242 2HG LYS 38 2HG LYS 38 3.895 -10.160 -5.096 243 1HD LYS 38 1HD LYS 38 5.493 -11.016 -3.453 244 2HD LYS 38 2HD LYS 38 4.294 -12.201 -2.930 245 1HE LYS 38 1HE LYS 38 4.288 -13.207 -5.145 246 2HE LYS 38 2HE LYS 38 5.454 -12.003 -5.701 247 1HZ LYS 38 1HZ LYS 38 6.325 -13.380 -3.340 248 2HZ LYS 38 2HZ LYS 38 6.059 -14.438 -4.645 249 3HZ LYS 38 3HZ LYS 38 7.133 -13.135 -4.815 250 H MET 39 H MET 39 2.840 -9.049 0.037 251 HA MET 39 HA MET 39 0.197 -7.788 0.034 252 1HB MET 39 1HB MET 39 2.286 -7.866 2.238 253 2HB MET 39 2HB MET 39 0.704 -7.125 2.341 254 1HG MET 39 1HG MET 39 0.527 -9.158 3.477 255 2HG MET 39 2HG MET 39 -0.273 -9.405 1.927 256 1HE MET 39 1HE MET 39 -0.182 -11.585 3.148 257 2HE MET 39 2HE MET 39 0.447 -12.652 1.894 258 3HE MET 39 3HE MET 39 1.265 -12.547 3.454 259 H TRP 40 H TRP 40 0.106 -5.493 0.109 260 HA TRP 40 HA TRP 40 2.643 -4.135 -0.504 261 1HB TRP 40 1HB TRP 40 1.492 -2.878 -2.293 262 2HB TRP 40 2HB TRP 40 1.530 -4.607 -2.634 263 HD1 TRP 40 HD1 TRP 40 -0.912 -5.931 -1.965 264 HE1 TRP 40 1HE TRP 40 -3.312 -5.048 -2.205 265 HE3 TRP 40 3HE TRP 40 0.088 -0.949 -2.325 266 HZ2 TRP 40 2HZ TRP 40 -4.600 -2.574 -2.481 267 HZ3 TRP 40 3HZ TRP 40 -1.792 0.620 -2.557 268 HH2 TRP 40 HH2 TRP 40 -4.094 -0.184 -2.636 269 H CYS 41 H CYS 41 1.720 -1.650 -0.987 270 HA CYS 41 HA CYS 41 -0.178 -0.712 0.922 271 1HB CYS 41 1HB CYS 41 1.580 0.778 2.083 272 2HB CYS 41 2HB CYS 41 1.443 -0.895 2.601 273 H ALA 42 H ALA 42 -0.825 1.399 0.417 274 HA ALA 42 HA ALA 42 -0.066 2.289 -2.187 275 1HB ALA 42 1HB ALA 42 -1.900 3.408 -0.100 276 2HB ALA 42 2HB ALA 42 -1.527 4.296 -1.577 277 3HB ALA 42 3HB ALA 42 -2.300 2.713 -1.671 278 H THR 43 H THR 43 0.878 4.237 -2.767 279 HA THR 43 HA THR 43 2.779 5.238 -0.782 280 HB THR 43 HB THR 43 4.070 6.013 -2.721 281 HG1 THR 43 1HG THR 43 2.745 6.472 -4.351 282 1HG2 THR 43 1HG2 THR 43 3.606 3.440 -3.856 283 2HG2 THR 43 2HG2 THR 43 4.957 3.988 -2.860 284 3HG2 THR 43 3HG2 THR 43 3.509 3.326 -2.099 285 H THR 44 H THR 44 -0.152 5.873 -1.359 286 HA THR 44 HA THR 44 0.100 8.780 -1.155 287 HB THR 44 HB THR 44 -1.952 9.033 -2.540 288 HG1 THR 44 1HG THR 44 -3.060 7.306 -2.924 289 1HG2 THR 44 1HG2 THR 44 -0.209 7.483 -4.349 290 2HG2 THR 44 2HG2 THR 44 -0.894 9.098 -4.535 291 3HG2 THR 44 3HG2 THR 44 0.520 8.850 -3.507 292 H ALA 45 H ALA 45 -1.657 9.746 0.067 293 HA ALA 45 HA ALA 45 -2.417 8.232 2.308 294 1HB ALA 45 1HB ALA 45 -3.457 10.868 1.271 295 2HB ALA 45 2HB ALA 45 -3.967 10.158 2.803 296 3HB ALA 45 3HB ALA 45 -2.277 10.595 2.553 297 H ASN 46 H ASN 46 -4.158 9.079 -0.630 298 HA ASN 46 HA ASN 46 -6.251 7.146 0.114 299 1HB ASN 46 1HB ASN 46 -7.117 9.463 0.011 300 2HB ASN 46 2HB ASN 46 -6.541 9.601 -1.649 301 1HD2 ASN 46 1HD2 ASN 46 -10.098 8.038 -0.839 302 2HD2 ASN 46 2HD2 ASN 46 -9.091 8.802 0.335 303 H TYR 47 H TYR 47 -5.904 5.366 -0.969 304 HA TYR 47 HA TYR 47 -4.359 5.336 -3.378 305 1HB TYR 47 1HB TYR 47 -4.153 3.559 -1.677 306 2HB TYR 47 2HB TYR 47 -5.809 3.063 -2.022 307 HD1 TYR 47 1HD TYR 47 -2.431 3.397 -3.529 308 HD2 TYR 47 2HD TYR 47 -6.265 1.578 -3.792 309 HE1 TYR 47 1HE TYR 47 -1.602 1.922 -5.302 310 HE2 TYR 47 2HE TYR 47 -5.438 0.102 -5.569 311 HH TYR 47 HH TYR 47 -3.377 0.421 -7.395 312 H ASP 48 H ASP 48 -7.767 5.174 -2.643 313 HA ASP 48 HA ASP 48 -8.706 3.995 -4.974 314 1HB ASP 48 1HB ASP 48 -9.947 6.084 -3.206 315 2HB ASP 48 2HB ASP 48 -10.799 5.361 -4.562 316 H ASP 49 H ASP 49 -7.824 7.320 -4.342 317 HA ASP 49 HA ASP 49 -8.744 8.305 -6.863 318 1HB ASP 49 1HB ASP 49 -7.055 9.528 -4.691 319 2HB ASP 49 2HB ASP 49 -7.524 10.386 -6.148 320 H ASP 50 H ASP 50 -5.442 8.180 -5.475 321 HA ASP 50 HA ASP 50 -4.288 8.672 -8.055 322 1HB ASP 50 1HB ASP 50 -3.076 8.150 -5.353 323 2HB ASP 50 2HB ASP 50 -2.114 8.450 -6.796 324 H ARG 51 H ARG 51 -4.856 5.781 -6.196 325 HA ARG 51 HA ARG 51 -4.268 3.632 -6.462 326 1HB ARG 51 1HB ARG 51 -4.494 4.449 -9.335 327 2HB ARG 51 2HB ARG 51 -4.543 2.789 -8.740 328 1HG ARG 51 1HG ARG 51 -6.366 4.108 -7.164 329 2HG ARG 51 2HG ARG 51 -6.619 4.804 -8.776 330 1HD ARG 51 1HD ARG 51 -6.553 1.878 -8.094 331 2HD ARG 51 2HD ARG 51 -8.011 2.838 -8.352 332 HE ARG 51 HE ARG 51 -6.427 3.159 -10.611 333 1HH1 ARG 51 1HH1 ARG 51 -8.070 0.541 -8.981 334 2HH1 ARG 51 2HH1 ARG 51 -8.363 -0.356 -10.433 335 1HH2 ARG 51 1HH2 ARG 51 -6.778 2.003 -12.508 336 2HH2 ARG 51 2HH2 ARG 51 -7.590 0.463 -12.464 337 H LYS 52 H LYS 52 -2.015 5.007 -5.855 338 HA LYS 52 HA LYS 52 -0.001 3.744 -7.573 339 1HB LYS 52 1HB LYS 52 0.213 6.210 -5.828 340 2HB LYS 52 2HB LYS 52 1.620 5.392 -6.504 341 1HG LYS 52 1HG LYS 52 0.939 5.880 -8.725 342 2HG LYS 52 2HG LYS 52 -0.645 6.428 -8.187 343 1HD LYS 52 1HD LYS 52 0.430 8.300 -7.010 344 2HD LYS 52 2HD LYS 52 2.001 7.767 -7.614 345 1HE LYS 52 1HE LYS 52 1.161 8.052 -9.929 346 2HE LYS 52 2HE LYS 52 -0.356 8.672 -9.273 347 1HZ LYS 52 1HZ LYS 52 2.154 9.960 -8.445 348 2HZ LYS 52 2HZ LYS 52 1.566 10.271 -10.007 349 3HZ LYS 52 3HZ LYS 52 0.602 10.630 -8.648 350 H TRP 53 H TRP 53 0.844 2.013 -6.765 351 HA TRP 53 HA TRP 53 0.882 1.688 -3.843 352 1HB TRP 53 1HB TRP 53 0.177 -0.608 -4.214 353 2HB TRP 53 2HB TRP 53 -0.964 0.506 -4.884 354 HD1 TRP 53 HD1 TRP 53 -0.630 0.885 -7.746 355 HE1 TRP 53 1HE TRP 53 -0.061 -0.954 -9.462 356 HE3 TRP 53 3HE TRP 53 1.200 -2.510 -4.534 357 HZ2 TRP 53 2HZ TRP 53 1.051 -3.587 -9.412 358 HZ3 TRP 53 3HZ TRP 53 2.018 -4.701 -5.397 359 HH2 TRP 53 HH2 TRP 53 1.941 -5.217 -7.785 360 H GLY 54 H GLY 54 2.072 -0.305 -3.212 361 1HA GLY 54 1HA GLY 54 4.287 -1.231 -4.754 362 2HA GLY 54 2HA GLY 54 4.791 -0.065 -3.530 363 H PHE 55 H PHE 55 5.158 -3.064 -3.801 364 HA PHE 55 HA PHE 55 3.662 -4.432 -1.905 365 1HB PHE 55 1HB PHE 55 6.436 -4.824 -2.989 366 2HB PHE 55 2HB PHE 55 5.752 -5.918 -1.803 367 HD1 PHE 55 1HD PHE 55 2.941 -5.109 -3.452 368 HD2 PHE 55 2HD PHE 55 6.638 -7.066 -4.216 369 HE1 PHE 55 1HE PHE 55 1.881 -6.411 -5.248 370 HE2 PHE 55 2HE PHE 55 5.585 -8.367 -6.013 371 HZ PHE 55 HZ PHE 55 3.205 -8.037 -6.540 372 H CYS 56 H CYS 56 4.362 -5.271 0.136 373 HA CYS 56 HA CYS 56 5.141 -3.222 1.942 374 1HB CYS 56 1HB CYS 56 3.573 -5.269 2.286 375 2HB CYS 56 2HB CYS 56 5.062 -6.159 2.580 376 HA PRO 57 HA PRO 57 9.528 -3.936 1.755 377 1HB PRO 57 1HB PRO 57 10.336 -2.537 3.860 378 2HB PRO 57 2HB PRO 57 9.661 -1.727 2.431 379 1HG PRO 57 1HG PRO 57 8.267 -2.577 4.938 380 2HG PRO 57 2HG PRO 57 8.279 -0.958 4.210 381 1HD PRO 57 1HD PRO 57 6.239 -2.643 3.801 382 2HD PRO 57 2HD PRO 57 6.855 -1.636 2.468 383 H ASP 58 H ASP 58 7.501 -5.301 3.636 384 HA ASP 58 HA ASP 58 9.424 -7.093 4.910 385 1HB ASP 58 1HB ASP 58 8.534 -5.373 6.565 386 2HB ASP 58 2HB ASP 58 6.949 -6.097 6.331 387 H GLN 59 H GLN 59 8.900 -8.478 3.157 388 HA GLN 59 HA GLN 59 6.130 -9.390 2.932 389 1HB GLN 59 1HB GLN 59 8.574 -10.127 1.300 390 2HB GLN 59 2HB GLN 59 6.925 -10.624 0.953 391 1HG GLN 59 1HG GLN 59 7.790 -7.750 1.039 392 2HG GLN 59 2HG GLN 59 7.814 -8.730 -0.426 393 1HE2 GLN 59 1HE2 GLN 59 4.528 -8.067 -1.153 394 2HE2 GLN 59 2HE2 GLN 59 6.126 -8.495 -1.665 395 H GLY 60 H GLY 60 9.127 -10.326 4.323 396 1HA GLY 60 1HA GLY 60 8.724 -12.125 6.071 397 2HA GLY 60 2HA GLY 60 8.127 -13.079 4.716 Start of MODEL 39 1 H SER 1 1H SER 1 13.648 3.182 9.372 2 HA SER 1 HA SER 1 14.377 4.156 7.536 3 1HB SER 1 1HB SER 1 16.771 2.289 7.575 4 2HB SER 1 2HB SER 1 16.554 3.696 6.536 5 HG SER 1 HG SER 1 17.015 5.009 8.153 6 H TRP 2 H TRP 2 13.410 3.715 5.642 7 HA TRP 2 HA TRP 2 13.250 0.901 4.786 8 1HB TRP 2 1HB TRP 2 11.058 2.985 4.636 9 2HB TRP 2 2HB TRP 2 10.961 1.364 3.962 10 HD1 TRP 2 HD1 TRP 2 11.646 -0.556 6.132 11 HE1 TRP 2 1HE TRP 2 10.419 -0.667 8.393 12 HE3 TRP 2 3HE TRP 2 9.640 4.141 6.195 13 HZ2 TRP 2 2HZ TRP 2 8.804 1.011 9.989 14 HZ3 TRP 2 3HZ TRP 2 8.253 4.810 8.118 15 HH2 TRP 2 HH2 TRP 2 7.845 3.274 9.975 16 H MET 3 H MET 3 13.783 0.551 2.672 17 HA MET 3 HA MET 3 14.532 2.899 1.105 18 1HB MET 3 1HB MET 3 15.167 -0.023 0.701 19 2HB MET 3 2HB MET 3 15.782 1.297 -0.281 20 1HG MET 3 1HG MET 3 16.298 0.935 2.662 21 2HG MET 3 2HG MET 3 17.406 0.492 1.370 22 1HE MET 3 1HE MET 3 18.442 1.830 3.472 23 2HE MET 3 2HE MET 3 19.558 2.563 2.319 24 3HE MET 3 3HE MET 3 18.675 3.584 3.453 25 H SER 4 H SER 4 12.274 3.385 0.632 26 HA SER 4 HA SER 4 10.493 3.494 -0.772 27 1HB SER 4 1HB SER 4 12.341 3.539 -2.458 28 2HB SER 4 2HB SER 4 12.186 1.793 -2.623 29 HG SER 4 HG SER 4 10.850 2.405 -4.162 30 H THR 5 H THR 5 9.321 1.754 -2.520 31 HA THR 5 HA THR 5 8.438 -0.400 -0.727 32 HB THR 5 HB THR 5 6.524 -0.420 -2.537 33 HG1 THR 5 1HG THR 5 7.302 2.287 -2.734 34 1HG2 THR 5 1HG2 THR 5 5.885 1.971 -1.217 35 2HG2 THR 5 2HG2 THR 5 5.345 0.332 -0.852 36 3HG2 THR 5 3HG2 THR 5 6.799 0.972 -0.086 37 H VAL 6 H VAL 6 7.325 -2.166 -2.215 38 HA VAL 6 HA VAL 6 9.282 -3.050 -4.249 39 HB VAL 6 HB VAL 6 7.672 -5.217 -3.241 40 1HG1 VAL 6 1HG1 VAL 6 10.184 -4.845 -4.273 41 2HG1 VAL 6 2HG1 VAL 6 10.501 -5.312 -2.600 42 3HG1 VAL 6 3HG1 VAL 6 9.532 -6.358 -3.644 43 1HG2 VAL 6 1HG2 VAL 6 7.608 -3.887 -1.162 44 2HG2 VAL 6 2HG2 VAL 6 8.466 -5.418 -0.981 45 3HG2 VAL 6 3HG2 VAL 6 9.373 -3.913 -1.127 46 H GLY 7 H GLY 7 7.865 -4.985 -5.434 47 1HA GLY 7 1HA GLY 7 6.306 -5.130 -7.168 48 2HA GLY 7 2HA GLY 7 5.212 -4.956 -5.826 49 H GLY 8 H GLY 8 3.648 -3.685 -6.415 50 1HA GLY 8 1HA GLY 8 2.469 -1.955 -7.372 51 2HA GLY 8 2HA GLY 8 3.631 -1.019 -6.467 52 H ASN 9 H ASN 9 3.674 0.679 -7.792 53 HA ASN 9 HA ASN 9 5.344 0.437 -10.122 54 1HB ASN 9 1HB ASN 9 3.798 1.551 -11.671 55 2HB ASN 9 2HB ASN 9 3.190 -0.006 -11.155 56 1HD2 ASN 9 1HD2 ASN 9 1.121 2.486 -8.930 57 2HD2 ASN 9 2HD2 ASN 9 2.712 1.895 -8.603 58 H SER 10 H SER 10 5.386 1.709 -7.494 59 HA SER 10 HA SER 10 5.093 4.535 -7.885 60 1HB SER 10 1HB SER 10 6.542 4.318 -5.629 61 2HB SER 10 2HB SER 10 4.797 4.109 -5.663 62 HG SER 10 HG SER 10 6.012 2.385 -4.594 63 H GLY 11 H GLY 11 7.868 2.359 -7.353 64 1HA GLY 11 1HA GLY 11 9.886 2.533 -8.643 65 2HA GLY 11 2HA GLY 11 9.524 4.232 -8.905 66 H GLY 12 H GLY 12 9.315 5.480 -6.720 67 1HA GLY 12 1HA GLY 12 11.330 4.532 -4.806 68 2HA GLY 12 2HA GLY 12 11.582 6.091 -5.579 69 H ALA 13 H ALA 13 8.419 4.880 -4.681 70 HA ALA 13 HA ALA 13 8.264 7.018 -2.667 71 1HB ALA 13 1HB ALA 13 6.707 6.873 -4.804 72 2HB ALA 13 2HB ALA 13 5.792 5.788 -3.754 73 3HB ALA 13 3HB ALA 13 6.104 7.448 -3.247 74 HA PRO 14 HA PRO 14 7.563 3.792 0.298 75 1HB PRO 14 1HB PRO 14 7.197 5.371 2.447 76 2HB PRO 14 2HB PRO 14 8.778 5.185 1.686 77 1HG PRO 14 1HG PRO 14 6.893 7.467 1.591 78 2HG PRO 14 2HG PRO 14 8.658 7.454 1.455 79 1HD PRO 14 1HD PRO 14 6.774 7.621 -0.660 80 2HD PRO 14 2HD PRO 14 8.528 7.416 -0.808 81 H CYS 15 H CYS 15 5.897 3.316 2.092 82 HA CYS 15 HA CYS 15 3.266 3.587 0.923 83 1HB CYS 15 1HB CYS 15 3.710 2.489 3.682 84 2HB CYS 15 2HB CYS 15 2.568 1.973 2.452 85 H VAL 16 H VAL 16 1.600 4.881 1.663 86 HA VAL 16 HA VAL 16 2.313 6.833 3.744 87 HB VAL 16 HB VAL 16 0.120 6.964 1.659 88 1HG1 VAL 16 1HG1 VAL 16 -0.472 8.194 3.695 89 2HG1 VAL 16 2HG1 VAL 16 1.054 9.069 3.606 90 3HG1 VAL 16 3HG1 VAL 16 -0.158 9.286 2.344 91 1HG2 VAL 16 1HG2 VAL 16 2.725 7.222 1.151 92 2HG2 VAL 16 2HG2 VAL 16 1.492 8.184 0.335 93 3HG2 VAL 16 3HG2 VAL 16 2.380 8.866 1.696 94 H PHE 17 H PHE 17 1.574 6.341 5.721 95 HA PHE 17 HA PHE 17 -1.048 5.039 5.910 96 1HB PHE 17 1HB PHE 17 1.356 4.818 7.707 97 2HB PHE 17 2HB PHE 17 -0.231 4.195 8.110 98 HD1 PHE 17 1HD PHE 17 -1.233 2.846 5.837 99 HD2 PHE 17 2HD PHE 17 2.790 3.178 7.168 100 HE1 PHE 17 1HE PHE 17 -0.672 0.752 4.686 101 HE2 PHE 17 2HE PHE 17 3.370 1.094 6.013 102 HZ PHE 17 HZ PHE 17 1.639 -0.150 4.752 103 HA PRO 18 HA PRO 18 -2.473 4.638 7.037 104 1HB PRO 18 1HB PRO 18 -4.996 5.467 7.627 105 2HB PRO 18 2HB PRO 18 -3.880 4.815 8.824 106 1HG PRO 18 1HG PRO 18 -4.823 7.561 8.463 107 2HG PRO 18 2HG PRO 18 -4.040 6.825 9.870 108 1HD PRO 18 1HD PRO 18 -2.883 8.524 7.841 109 2HD PRO 18 2HD PRO 18 -2.111 7.859 9.291 110 H PHE 19 H PHE 19 -3.323 4.070 5.075 111 HA PHE 19 HA PHE 19 -4.216 6.341 3.412 112 1HB PHE 19 1HB PHE 19 -3.710 5.062 1.428 113 2HB PHE 19 2HB PHE 19 -2.291 5.130 2.453 114 HD1 PHE 19 1HD PHE 19 -1.716 3.068 3.829 115 HD2 PHE 19 2HD PHE 19 -4.569 3.055 0.676 116 HE1 PHE 19 1HE PHE 19 -1.447 0.629 3.591 117 HE2 PHE 19 2HE PHE 19 -4.308 0.628 0.433 118 HZ PHE 19 HZ PHE 19 -2.738 -0.595 1.885 119 H THR 20 H THR 20 -5.627 4.994 1.490 120 HA THR 20 HA THR 20 -7.651 3.441 2.905 121 HB THR 20 HB THR 20 -8.252 6.006 1.390 122 HG1 THR 20 1HG THR 20 -7.459 6.034 3.702 123 1HG2 THR 20 1HG2 THR 20 -10.532 5.387 2.722 124 2HG2 THR 20 2HG2 THR 20 -10.235 5.090 1.007 125 3HG2 THR 20 3HG2 THR 20 -9.978 3.801 2.182 126 H PHE 21 H PHE 21 -8.209 1.768 1.680 127 HA PHE 21 HA PHE 21 -7.881 2.043 -1.241 128 1HB PHE 21 1HB PHE 21 -6.345 0.358 -0.171 129 2HB PHE 21 2HB PHE 21 -7.768 -0.509 0.364 130 HD1 PHE 21 1HD PHE 21 -5.875 0.521 -2.607 131 HD2 PHE 21 2HD PHE 21 -9.024 -1.925 -1.129 132 HE1 PHE 21 1HE PHE 21 -5.863 -0.724 -4.704 133 HE2 PHE 21 2HE PHE 21 -9.017 -3.179 -3.239 134 HZ PHE 21 HZ PHE 21 -7.445 -2.589 -5.030 135 H LEU 22 H LEU 22 -9.563 1.737 -2.400 136 HA LEU 22 HA LEU 22 -11.766 1.713 -2.904 137 1HB LEU 22 1HB LEU 22 -10.624 -0.909 -2.199 138 2HB LEU 22 2HB LEU 22 -12.265 -0.835 -2.807 139 HG LEU 22 HG LEU 22 -10.569 -1.284 -4.554 140 1HD1 LEU 22 1HD1 LEU 22 -12.687 0.493 -4.533 141 2HD1 LEU 22 2HD1 LEU 22 -11.403 1.245 -5.480 142 3HD1 LEU 22 3HD1 LEU 22 -11.998 -0.357 -5.917 143 1HD2 LEU 22 1HD2 LEU 22 -9.666 1.485 -3.891 144 2HD2 LEU 22 2HD2 LEU 22 -8.707 0.005 -3.837 145 3HD2 LEU 22 3HD2 LEU 22 -9.269 0.638 -5.385 146 H GLY 23 H GLY 23 -11.715 2.770 -0.422 147 1HA GLY 23 1HA GLY 23 -13.665 3.309 0.859 148 2HA GLY 23 2HA GLY 23 -14.193 1.652 0.692 149 H ASN 24 H ASN 24 -11.202 0.907 1.643 150 HA ASN 24 HA ASN 24 -11.966 1.220 4.475 151 1HB ASN 24 1HB ASN 24 -10.187 -0.872 3.222 152 2HB ASN 24 2HB ASN 24 -10.740 -0.828 4.888 153 1HD2 ASN 24 1HD2 ASN 24 -12.896 -2.632 2.107 154 2HD2 ASN 24 2HD2 ASN 24 -11.260 -2.117 1.915 155 H LYS 25 H LYS 25 -10.623 2.092 5.935 156 HA LYS 25 HA LYS 25 -8.320 3.561 5.100 157 1HB LYS 25 1HB LYS 25 -9.400 2.937 7.858 158 2HB LYS 25 2HB LYS 25 -8.294 4.214 7.443 159 1HG LYS 25 1HG LYS 25 -11.049 4.094 6.298 160 2HG LYS 25 2HG LYS 25 -10.706 4.866 7.844 161 1HD LYS 25 1HD LYS 25 -9.434 5.589 5.207 162 2HD LYS 25 2HD LYS 25 -10.752 6.476 5.981 163 1HE LYS 25 1HE LYS 25 -7.965 6.067 7.082 164 2HE LYS 25 2HE LYS 25 -8.598 7.558 6.384 165 1HZ LYS 25 1HZ LYS 25 -10.263 6.610 8.502 166 2HZ LYS 25 2HZ LYS 25 -8.663 6.825 9.033 167 3HZ LYS 25 3HZ LYS 25 -9.501 8.117 8.318 168 H TYR 26 H TYR 26 -6.252 2.648 4.966 169 HA TYR 26 HA TYR 26 -5.782 0.294 6.654 170 1HB TYR 26 1HB TYR 26 -4.456 1.048 4.054 171 2HB TYR 26 2HB TYR 26 -4.083 -0.365 5.027 172 HD1 TYR 26 1HD TYR 26 -7.172 -0.761 5.703 173 HD2 TYR 26 2HD TYR 26 -4.916 -0.330 2.144 174 HE1 TYR 26 1HE TYR 26 -8.846 -2.070 4.486 175 HE2 TYR 26 2HE TYR 26 -6.571 -1.630 0.914 176 HH TYR 26 HH TYR 26 -8.460 -3.603 1.884 177 H GLU 27 H GLU 27 -4.533 0.590 8.254 178 HA GLU 27 HA GLU 27 -2.669 2.837 8.337 179 1HB GLU 27 1HB GLU 27 -3.586 0.971 10.511 180 2HB GLU 27 2HB GLU 27 -2.647 2.424 10.722 181 1HG GLU 27 1HG GLU 27 -4.496 3.788 9.995 182 2HG GLU 27 2HG GLU 27 -5.445 2.345 9.647 183 H SER 28 H SER 28 -2.791 -0.442 7.779 184 HA SER 28 HA SER 28 0.103 -0.708 8.098 185 1HB SER 28 1HB SER 28 -0.429 -3.158 8.586 186 2HB SER 28 2HB SER 28 -0.773 -2.021 9.879 187 HG SER 28 HG SER 28 -2.433 -3.724 8.688 188 H CYS 29 H CYS 29 0.527 -3.064 6.819 189 HA CYS 29 HA CYS 29 -0.067 -2.378 4.122 190 1HB CYS 29 1HB CYS 29 1.143 -4.907 5.247 191 2HB CYS 29 2HB CYS 29 1.084 -4.480 3.550 192 H THR 30 H THR 30 -1.016 -3.998 2.623 193 HA THR 30 HA THR 30 -3.164 -5.604 3.803 194 HB THR 30 HB THR 30 -4.086 -3.295 3.401 195 HG1 THR 30 1HG THR 30 -5.616 -4.817 3.264 196 1HG2 THR 30 1HG2 THR 30 -4.207 -3.634 0.503 197 2HG2 THR 30 2HG2 THR 30 -3.903 -2.192 1.468 198 3HG2 THR 30 3HG2 THR 30 -2.584 -3.307 1.113 199 H SER 31 H SER 31 -4.368 -6.738 1.992 200 HA SER 31 HA SER 31 -2.562 -7.336 -0.246 201 1HB SER 31 1HB SER 31 -3.366 -9.692 -0.137 202 2HB SER 31 2HB SER 31 -2.481 -9.204 1.315 203 HG SER 31 HG SER 31 -5.280 -9.546 0.973 204 H ALA 32 H ALA 32 -4.894 -5.585 0.383 205 HA ALA 32 HA ALA 32 -7.250 -6.377 -0.855 206 1HB ALA 32 1HB ALA 32 -6.265 -4.069 0.383 207 2HB ALA 32 2HB ALA 32 -6.721 -3.550 -1.241 208 3HB ALA 32 3HB ALA 32 -7.910 -4.332 -0.198 209 H GLY 33 H GLY 33 -7.979 -6.472 -2.879 210 1HA GLY 33 1HA GLY 33 -8.048 -6.204 -5.176 211 2HA GLY 33 2HA GLY 33 -6.681 -5.107 -5.050 212 H ARG 34 H ARG 34 -5.695 -7.742 -3.392 213 HA ARG 34 HA ARG 34 -4.544 -8.941 -5.819 214 1HB ARG 34 1HB ARG 34 -3.314 -9.020 -3.075 215 2HB ARG 34 2HB ARG 34 -2.584 -9.457 -4.596 216 1HG ARG 34 1HG ARG 34 -2.995 -6.952 -5.201 217 2HG ARG 34 2HG ARG 34 -3.060 -6.759 -3.453 218 1HD ARG 34 1HD ARG 34 -0.797 -6.413 -4.438 219 2HD ARG 34 2HD ARG 34 -0.859 -7.666 -3.193 220 HE ARG 34 HE ARG 34 -0.207 -9.188 -4.765 221 1HH1 ARG 34 1HH1 ARG 34 -1.465 -6.387 -6.428 222 2HH1 ARG 34 2HH1 ARG 34 -1.145 -7.024 -8.009 223 1HH2 ARG 34 1HH2 ARG 34 0.279 -10.000 -6.826 224 2HH2 ARG 34 2HH2 ARG 34 -0.076 -9.050 -8.233 225 H SER 35 H SER 35 -4.354 -11.149 -5.940 226 HA SER 35 HA SER 35 -5.661 -12.717 -3.821 227 1HB SER 35 1HB SER 35 -6.008 -13.088 -6.811 228 2HB SER 35 2HB SER 35 -6.639 -14.179 -5.578 229 HG SER 35 HG SER 35 -8.299 -12.827 -6.074 230 H ASP 36 H ASP 36 -2.863 -12.025 -5.160 231 HA ASP 36 HA ASP 36 -1.949 -14.721 -5.675 232 1HB ASP 36 1HB ASP 36 -0.173 -13.801 -6.788 233 2HB ASP 36 2HB ASP 36 -1.347 -12.516 -6.956 234 H GLY 37 H GLY 37 -1.382 -12.134 -3.395 235 1HA GLY 37 1HA GLY 37 -1.201 -13.239 -1.062 236 2HA GLY 37 2HA GLY 37 0.200 -14.018 -1.767 237 H LYS 38 H LYS 38 1.165 -11.626 -3.190 238 HA LYS 38 HA LYS 38 2.784 -10.580 -1.170 239 1HB LYS 38 1HB LYS 38 2.151 -9.016 -3.639 240 2HB LYS 38 2HB LYS 38 3.682 -9.162 -2.786 241 1HG LYS 38 1HG LYS 38 2.362 -11.326 -4.395 242 2HG LYS 38 2HG LYS 38 3.689 -10.326 -4.925 243 1HD LYS 38 1HD LYS 38 5.191 -11.273 -3.354 244 2HD LYS 38 2HD LYS 38 3.868 -12.042 -2.468 245 1HE LYS 38 1HE LYS 38 5.312 -13.491 -4.027 246 2HE LYS 38 2HE LYS 38 3.560 -13.665 -4.110 247 1HZ LYS 38 1HZ LYS 38 5.032 -11.839 -5.921 248 2HZ LYS 38 2HZ LYS 38 4.815 -13.482 -6.296 249 3HZ LYS 38 3HZ LYS 38 3.463 -12.470 -6.097 250 H MET 39 H MET 39 2.083 -9.397 0.528 251 HA MET 39 HA MET 39 -0.216 -7.693 0.284 252 1HB MET 39 1HB MET 39 1.795 -7.895 2.546 253 2HB MET 39 2HB MET 39 0.229 -7.106 2.612 254 1HG MET 39 1HG MET 39 -0.858 -9.281 2.205 255 2HG MET 39 2HG MET 39 0.729 -10.046 2.245 256 1HE MET 39 1HE MET 39 -1.003 -7.259 4.007 257 2HE MET 39 2HE MET 39 -2.068 -8.333 4.911 258 3HE MET 39 3HE MET 39 -0.729 -7.528 5.729 259 H TRP 40 H TRP 40 -0.210 -5.508 0.043 260 HA TRP 40 HA TRP 40 2.407 -4.236 -0.401 261 1HB TRP 40 1HB TRP 40 1.249 -2.866 -2.138 262 2HB TRP 40 2HB TRP 40 1.296 -4.588 -2.527 263 HD1 TRP 40 HD1 TRP 40 -1.152 -5.936 -1.883 264 HE1 TRP 40 1HE TRP 40 -3.553 -5.053 -2.111 265 HE3 TRP 40 3HE TRP 40 -0.157 -0.948 -2.190 266 HZ2 TRP 40 2HZ TRP 40 -4.848 -2.577 -2.352 267 HZ3 TRP 40 3HZ TRP 40 -2.034 0.616 -2.388 268 HH2 TRP 40 HH2 TRP 40 -4.331 -0.185 -2.477 269 H CYS 41 H CYS 41 1.490 -1.700 -0.882 270 HA CYS 41 HA CYS 41 -0.160 -0.704 1.251 271 1HB CYS 41 1HB CYS 41 1.726 0.742 2.157 272 2HB CYS 41 2HB CYS 41 1.842 -0.971 2.566 273 H ALA 42 H ALA 42 -0.903 1.387 0.693 274 HA ALA 42 HA ALA 42 -0.385 2.185 -2.005 275 1HB ALA 42 1HB ALA 42 -2.000 3.389 0.214 276 2HB ALA 42 2HB ALA 42 -1.737 4.250 -1.303 277 3HB ALA 42 3HB ALA 42 -2.554 2.686 -1.306 278 H THR 43 H THR 43 0.601 4.077 -2.729 279 HA THR 43 HA THR 43 2.606 5.104 -0.857 280 HB THR 43 HB THR 43 3.888 5.705 -2.866 281 HG1 THR 43 1HG THR 43 2.258 6.033 -4.375 282 1HG2 THR 43 1HG2 THR 43 3.611 3.108 -3.803 283 2HG2 THR 43 2HG2 THR 43 4.724 3.670 -2.555 284 3HG2 THR 43 3HG2 THR 43 3.147 3.021 -2.103 285 H THR 44 H THR 44 -0.285 5.848 -1.483 286 HA THR 44 HA THR 44 0.127 8.740 -1.459 287 HB THR 44 HB THR 44 -2.009 8.970 -2.796 288 HG1 THR 44 1HG THR 44 -3.050 7.241 -3.298 289 1HG2 THR 44 1HG2 THR 44 -0.085 7.484 -4.516 290 2HG2 THR 44 2HG2 THR 44 -1.011 8.945 -4.859 291 3HG2 THR 44 3HG2 THR 44 0.390 9.019 -3.789 292 H ALA 45 H ALA 45 -1.571 9.867 -0.292 293 HA ALA 45 HA ALA 45 -2.398 8.529 2.044 294 1HB ALA 45 1HB ALA 45 -2.066 11.066 1.589 295 2HB ALA 45 2HB ALA 45 -3.764 11.019 1.107 296 3HB ALA 45 3HB ALA 45 -3.297 10.542 2.738 297 H ASN 46 H ASN 46 -4.176 9.405 -0.899 298 HA ASN 46 HA ASN 46 -6.328 7.618 0.016 299 1HB ASN 46 1HB ASN 46 -7.072 9.986 -0.145 300 2HB ASN 46 2HB ASN 46 -6.611 9.991 -1.849 301 1HD2 ASN 46 1HD2 ASN 46 -10.159 8.621 -0.665 302 2HD2 ASN 46 2HD2 ASN 46 -9.007 9.316 0.413 303 H TYR 47 H TYR 47 -5.998 5.759 -0.984 304 HA TYR 47 HA TYR 47 -4.734 5.594 -3.547 305 1HB TYR 47 1HB TYR 47 -4.473 3.894 -1.716 306 2HB TYR 47 2HB TYR 47 -6.133 3.392 -2.023 307 HD1 TYR 47 1HD TYR 47 -6.694 2.478 -4.350 308 HD2 TYR 47 2HD TYR 47 -2.713 3.038 -2.971 309 HE1 TYR 47 1HE TYR 47 -5.874 0.932 -6.074 310 HE2 TYR 47 2HE TYR 47 -1.898 1.494 -4.688 311 HH TYR 47 HH TYR 47 -3.991 -0.493 -6.503 312 H ASP 48 H ASP 48 -8.019 5.502 -2.348 313 HA ASP 48 HA ASP 48 -9.430 4.346 -4.382 314 1HB ASP 48 1HB ASP 48 -10.065 6.713 -2.642 315 2HB ASP 48 2HB ASP 48 -11.215 6.135 -3.839 316 H ASP 49 H ASP 49 -8.028 7.561 -4.312 317 HA ASP 49 HA ASP 49 -9.133 8.174 -6.937 318 1HB ASP 49 1HB ASP 49 -7.895 9.785 -4.742 319 2HB ASP 49 2HB ASP 49 -7.934 10.429 -6.383 320 H ASP 50 H ASP 50 -5.924 8.438 -5.377 321 HA ASP 50 HA ASP 50 -4.605 8.873 -7.862 322 1HB ASP 50 1HB ASP 50 -3.519 8.274 -5.115 323 2HB ASP 50 2HB ASP 50 -2.514 8.670 -6.507 324 H ARG 51 H ARG 51 -5.264 5.967 -6.064 325 HA ARG 51 HA ARG 51 -4.626 3.819 -6.293 326 1HB ARG 51 1HB ARG 51 -4.961 4.545 -9.182 327 2HB ARG 51 2HB ARG 51 -5.090 2.927 -8.492 328 1HG ARG 51 1HG ARG 51 -6.765 4.384 -6.917 329 2HG ARG 51 2HG ARG 51 -7.012 5.111 -8.511 330 1HD ARG 51 1HD ARG 51 -7.118 2.167 -7.957 331 2HD ARG 51 2HD ARG 51 -8.526 3.223 -7.931 332 HE ARG 51 HE ARG 51 -7.078 3.433 -10.389 333 1HH1 ARG 51 1HH1 ARG 51 -9.451 1.593 -8.613 334 2HH1 ARG 51 2HH1 ARG 51 -10.164 0.879 -10.021 335 1HH2 ARG 51 1HH2 ARG 51 -8.058 2.538 -12.280 336 2HH2 ARG 51 2HH2 ARG 51 -9.381 1.419 -12.105 337 H LYS 52 H LYS 52 -2.321 5.031 -5.765 338 HA LYS 52 HA LYS 52 -0.446 3.718 -7.592 339 1HB LYS 52 1HB LYS 52 -0.154 6.253 -6.011 340 2HB LYS 52 2HB LYS 52 1.269 5.319 -6.460 341 1HG LYS 52 1HG LYS 52 0.669 5.506 -8.809 342 2HG LYS 52 2HG LYS 52 -0.780 6.402 -8.382 343 1HD LYS 52 1HD LYS 52 0.595 8.189 -7.437 344 2HD LYS 52 2HD LYS 52 2.052 7.285 -7.846 345 1HE LYS 52 1HE LYS 52 0.011 8.374 -9.780 346 2HE LYS 52 2HE LYS 52 1.638 8.998 -9.512 347 1HZ LYS 52 1HZ LYS 52 1.011 6.281 -10.565 348 2HZ LYS 52 2HZ LYS 52 1.487 7.612 -11.511 349 3HZ LYS 52 3HZ LYS 52 2.560 6.951 -10.372 350 H TRP 53 H TRP 53 0.438 1.975 -6.779 351 HA TRP 53 HA TRP 53 0.562 1.703 -3.852 352 1HB TRP 53 1HB TRP 53 -0.183 -0.575 -4.107 353 2HB TRP 53 2HB TRP 53 -1.308 0.502 -4.834 354 HD1 TRP 53 HD1 TRP 53 -0.862 0.751 -7.719 355 HE1 TRP 53 1HE TRP 53 -0.441 -1.232 -9.318 356 HE3 TRP 53 3HE TRP 53 0.629 -2.592 -4.291 357 HZ2 TRP 53 2HZ TRP 53 0.451 -3.935 -9.097 358 HZ3 TRP 53 3HZ TRP 53 1.276 -4.886 -5.013 359 HH2 TRP 53 HH2 TRP 53 1.187 -5.532 -7.373 360 H GLY 54 H GLY 54 1.785 -0.222 -3.188 361 1HA GLY 54 1HA GLY 54 4.045 -1.123 -4.723 362 2HA GLY 54 2HA GLY 54 4.480 0.026 -3.459 363 H PHE 55 H PHE 55 4.948 -2.976 -3.748 364 HA PHE 55 HA PHE 55 3.379 -4.379 -1.910 365 1HB PHE 55 1HB PHE 55 6.167 -4.748 -2.955 366 2HB PHE 55 2HB PHE 55 5.517 -5.829 -1.740 367 HD1 PHE 55 1HD PHE 55 2.706 -5.067 -3.468 368 HD2 PHE 55 2HD PHE 55 6.408 -7.085 -4.050 369 HE1 PHE 55 1HE PHE 55 1.675 -6.456 -5.225 370 HE2 PHE 55 2HE PHE 55 5.376 -8.481 -5.801 371 HZ PHE 55 HZ PHE 55 3.009 -8.148 -6.405 372 H CYS 56 H CYS 56 3.875 -5.122 0.197 373 HA CYS 56 HA CYS 56 4.687 -3.103 2.014 374 1HB CYS 56 1HB CYS 56 3.011 -4.997 2.409 375 2HB CYS 56 2HB CYS 56 4.405 -6.053 2.593 376 HA PRO 57 HA PRO 57 9.011 -4.204 1.628 377 1HB PRO 57 1HB PRO 57 10.087 -2.002 2.546 378 2HB PRO 57 2HB PRO 57 9.173 -1.972 1.025 379 1HG PRO 57 1HG PRO 57 8.234 -1.334 3.790 380 2HG PRO 57 2HG PRO 57 8.089 -0.315 2.343 381 1HD PRO 57 1HD PRO 57 6.075 -1.903 3.225 382 2HD PRO 57 2HD PRO 57 6.347 -1.601 1.493 383 H ASP 58 H ASP 58 7.240 -4.249 4.227 384 HA ASP 58 HA ASP 58 9.418 -5.243 5.899 385 1HB ASP 58 1HB ASP 58 8.855 -2.782 6.448 386 2HB ASP 58 2HB ASP 58 7.368 -3.424 7.141 387 H GLN 59 H GLN 59 8.666 -7.320 5.684 388 HA GLN 59 HA GLN 59 6.042 -7.870 6.915 389 1HB GLN 59 1HB GLN 59 7.366 -9.393 4.661 390 2HB GLN 59 2HB GLN 59 5.848 -9.830 5.434 391 1HG GLN 59 1HG GLN 59 4.901 -7.684 4.667 392 2HG GLN 59 2HG GLN 59 6.407 -7.359 3.810 393 1HE2 GLN 59 1HE2 GLN 59 3.562 -9.552 2.115 394 2HE2 GLN 59 2HE2 GLN 59 3.358 -8.620 3.559 395 H GLY 60 H GLY 60 8.759 -7.760 8.094 396 1HA GLY 60 1HA GLY 60 8.577 -10.187 9.602 397 2HA GLY 60 2HA GLY 60 9.962 -10.188 8.517 Start of MODEL 40 1 H SER 1 1H SER 1 10.393 10.024 6.344 2 HA SER 1 HA SER 1 11.589 8.317 7.035 3 1HB SER 1 1HB SER 1 9.553 6.950 5.250 4 2HB SER 1 2HB SER 1 10.311 6.260 6.686 5 HG SER 1 HG SER 1 9.158 7.603 7.974 6 H TRP 2 H TRP 2 13.345 7.010 6.682 7 HA TRP 2 HA TRP 2 14.449 7.024 4.001 8 1HB TRP 2 1HB TRP 2 15.617 5.822 6.519 9 2HB TRP 2 2HB TRP 2 16.476 6.159 5.021 10 HD1 TRP 2 HD1 TRP 2 15.883 9.075 4.396 11 HE1 TRP 2 1HE TRP 2 16.531 10.993 5.995 12 HE3 TRP 2 3HE TRP 2 16.281 6.409 8.728 13 HZ2 TRP 2 2HZ TRP 2 17.138 11.314 8.733 14 HZ3 TRP 2 3HZ TRP 2 16.906 7.589 10.789 15 HH2 TRP 2 HH2 TRP 2 17.327 9.990 10.791 16 H MET 3 H MET 3 12.372 5.543 3.576 17 HA MET 3 HA MET 3 13.415 2.852 3.293 18 1HB MET 3 1HB MET 3 11.115 2.006 3.948 19 2HB MET 3 2HB MET 3 12.147 2.536 5.258 20 1HG MET 3 1HG MET 3 10.946 4.718 5.204 21 2HG MET 3 2HG MET 3 9.838 4.010 4.033 22 1HE MET 3 1HE MET 3 11.297 3.839 7.606 23 2HE MET 3 2HE MET 3 10.266 2.670 8.423 24 3HE MET 3 3HE MET 3 11.429 2.121 7.216 25 H SER 4 H SER 4 11.958 1.570 1.813 26 HA SER 4 HA SER 4 10.398 3.222 -0.007 27 1HB SER 4 1HB SER 4 12.733 1.535 -0.949 28 2HB SER 4 2HB SER 4 11.594 2.390 -1.989 29 HG SER 4 HG SER 4 12.412 4.238 -0.417 30 H THR 5 H THR 5 9.718 1.554 -1.933 31 HA THR 5 HA THR 5 8.654 -0.783 -0.502 32 HB THR 5 HB THR 5 6.898 -0.591 -2.439 33 HG1 THR 5 1HG THR 5 7.560 2.138 -2.200 34 1HG2 THR 5 1HG2 THR 5 5.783 1.374 -1.054 35 2HG2 THR 5 2HG2 THR 5 5.840 -0.292 -0.482 36 3HG2 THR 5 3HG2 THR 5 7.017 0.884 0.108 37 H VAL 6 H VAL 6 7.769 -2.388 -2.192 38 HA VAL 6 HA VAL 6 9.664 -2.906 -4.347 39 HB VAL 6 HB VAL 6 10.471 -4.569 -3.025 40 1HG1 VAL 6 1HG1 VAL 6 8.014 -4.161 -1.402 41 2HG1 VAL 6 2HG1 VAL 6 8.943 -5.646 -1.180 42 3HG1 VAL 6 3HG1 VAL 6 9.710 -4.078 -0.924 43 1HG2 VAL 6 1HG2 VAL 6 7.862 -5.758 -3.878 44 2HG2 VAL 6 2HG2 VAL 6 9.461 -5.977 -4.595 45 3HG2 VAL 6 3HG2 VAL 6 9.089 -6.692 -3.027 46 H GLY 7 H GLY 7 8.452 -4.410 -5.999 47 1HA GLY 7 1HA GLY 7 6.419 -4.944 -7.087 48 2HA GLY 7 2HA GLY 7 5.634 -4.668 -5.565 49 H GLY 8 H GLY 8 3.938 -3.595 -6.462 50 1HA GLY 8 1HA GLY 8 2.747 -1.849 -7.341 51 2HA GLY 8 2HA GLY 8 3.775 -0.937 -6.264 52 H ASN 9 H ASN 9 4.005 0.884 -7.374 53 HA ASN 9 HA ASN 9 5.776 0.912 -9.636 54 1HB ASN 9 1HB ASN 9 4.126 2.481 -10.932 55 2HB ASN 9 2HB ASN 9 3.984 0.748 -11.097 56 1HD2 ASN 9 1HD2 ASN 9 1.190 1.924 -8.488 57 2HD2 ASN 9 2HD2 ASN 9 2.882 1.928 -8.147 58 H SER 10 H SER 10 5.975 1.802 -7.044 59 HA SER 10 HA SER 10 5.386 4.589 -6.822 60 1HB SER 10 1HB SER 10 7.194 4.057 -4.856 61 2HB SER 10 2HB SER 10 5.462 3.748 -4.715 62 HG SER 10 HG SER 10 6.732 1.899 -4.187 63 H GLY 11 H GLY 11 8.570 3.046 -6.406 64 1HA GLY 11 1HA GLY 11 10.473 3.546 -7.801 65 2HA GLY 11 2HA GLY 11 9.706 5.070 -8.226 66 H GLY 12 H GLY 12 10.687 3.365 -5.252 67 1HA GLY 12 1HA GLY 12 12.194 4.075 -3.621 68 2HA GLY 12 2HA GLY 12 12.387 5.593 -4.483 69 H ALA 13 H ALA 13 9.159 4.574 -3.930 70 HA ALA 13 HA ALA 13 8.911 6.669 -1.893 71 1HB ALA 13 1HB ALA 13 7.547 6.972 -3.903 72 2HB ALA 13 2HB ALA 13 6.753 5.427 -3.585 73 3HB ALA 13 3HB ALA 13 6.552 6.765 -2.459 74 HA PRO 14 HA PRO 14 7.895 3.513 1.056 75 1HB PRO 14 1HB PRO 14 7.406 5.151 3.143 76 2HB PRO 14 2HB PRO 14 9.036 4.878 2.522 77 1HG PRO 14 1HG PRO 14 7.274 7.237 2.236 78 2HG PRO 14 2HG PRO 14 9.041 7.146 2.228 79 1HD PRO 14 1HD PRO 14 7.322 7.347 -0.019 80 2HD PRO 14 2HD PRO 14 9.073 7.070 -0.034 81 H CYS 15 H CYS 15 6.079 2.893 2.467 82 HA CYS 15 HA CYS 15 3.564 3.345 1.183 83 1HB CYS 15 1HB CYS 15 3.719 2.159 3.925 84 2HB CYS 15 2HB CYS 15 2.719 1.682 2.560 85 H VAL 16 H VAL 16 1.890 4.692 1.812 86 HA VAL 16 HA VAL 16 2.471 6.497 4.060 87 HB VAL 16 HB VAL 16 0.582 6.941 1.747 88 1HG1 VAL 16 1HG1 VAL 16 1.322 8.616 4.106 89 2HG1 VAL 16 2HG1 VAL 16 0.817 9.366 2.592 90 3HG1 VAL 16 3HG1 VAL 16 -0.272 8.266 3.436 91 1HG2 VAL 16 1HG2 VAL 16 3.089 6.893 1.256 92 2HG2 VAL 16 2HG2 VAL 16 2.172 8.303 0.726 93 3HG2 VAL 16 3HG2 VAL 16 3.162 8.394 2.182 94 H PHE 17 H PHE 17 1.573 5.401 5.796 95 HA PHE 17 HA PHE 17 -1.217 4.633 5.568 96 1HB PHE 17 1HB PHE 17 0.401 4.203 8.039 97 2HB PHE 17 2HB PHE 17 -1.024 3.360 7.494 98 HD1 PHE 17 1HD PHE 17 -0.767 1.970 5.335 99 HD2 PHE 17 2HD PHE 17 2.444 3.219 7.805 100 HE1 PHE 17 1HE PHE 17 0.596 0.112 4.481 101 HE2 PHE 17 2HE PHE 17 3.837 1.372 6.953 102 HZ PHE 17 HZ PHE 17 2.922 -0.211 5.279 103 HA PRO 18 HA PRO 18 -2.701 4.104 6.842 104 1HB PRO 18 1HB PRO 18 -5.255 5.314 7.085 105 2HB PRO 18 2HB PRO 18 -4.468 4.237 8.237 106 1HG PRO 18 1HG PRO 18 -5.035 6.935 8.665 107 2HG PRO 18 2HG PRO 18 -3.890 5.963 9.606 108 1HD PRO 18 1HD PRO 18 -3.378 7.908 7.399 109 2HD PRO 18 2HD PRO 18 -2.394 7.543 8.836 110 H PHE 19 H PHE 19 -3.131 3.474 4.738 111 HA PHE 19 HA PHE 19 -3.771 5.638 2.868 112 1HB PHE 19 1HB PHE 19 -3.793 3.765 1.101 113 2HB PHE 19 2HB PHE 19 -2.258 4.285 1.749 114 HD1 PHE 19 1HD PHE 19 -1.381 2.771 3.778 115 HD2 PHE 19 2HD PHE 19 -4.211 1.585 0.839 116 HE1 PHE 19 1HE PHE 19 -0.813 0.406 4.170 117 HE2 PHE 19 2HE PHE 19 -3.646 -0.773 1.222 118 HZ PHE 19 HZ PHE 19 -1.938 -1.364 2.901 119 H THR 20 H THR 20 -5.384 4.063 1.047 120 HA THR 20 HA THR 20 -7.645 3.449 2.759 121 HB THR 20 HB THR 20 -8.102 5.363 0.476 122 HG1 THR 20 1HG THR 20 -6.848 5.873 2.864 123 1HG2 THR 20 1HG2 THR 20 -9.901 6.113 2.154 124 2HG2 THR 20 2HG2 THR 20 -10.148 4.626 1.241 125 3HG2 THR 20 3HG2 THR 20 -9.611 4.550 2.919 126 H PHE 21 H PHE 21 -8.553 1.809 2.292 127 HA PHE 21 HA PHE 21 -9.190 1.120 -0.321 128 1HB PHE 21 1HB PHE 21 -7.505 -0.583 1.120 129 2HB PHE 21 2HB PHE 21 -8.949 -1.404 0.651 130 HD1 PHE 21 1HD PHE 21 -6.837 -2.613 -0.338 131 HD2 PHE 21 2HD PHE 21 -8.497 1.013 -1.744 132 HE1 PHE 21 1HE PHE 21 -6.244 -3.276 -2.598 133 HE2 PHE 21 2HE PHE 21 -7.846 0.413 -4.019 134 HZ PHE 21 HZ PHE 21 -6.691 -1.716 -4.480 135 H LEU 22 H LEU 22 -10.738 0.561 -0.936 136 HA LEU 22 HA LEU 22 -12.968 0.708 -1.069 137 1HB LEU 22 1HB LEU 22 -12.479 -2.020 -0.068 138 2HB LEU 22 2HB LEU 22 -13.538 -1.560 -1.372 139 HG LEU 22 HG LEU 22 -11.762 -2.459 -2.579 140 1HD1 LEU 22 1HD1 LEU 22 -11.550 0.332 -2.453 141 2HD1 LEU 22 2HD1 LEU 22 -9.953 -0.391 -2.641 142 3HD1 LEU 22 3HD1 LEU 22 -11.233 -0.771 -3.794 143 1HD2 LEU 22 1HD2 LEU 22 -10.376 -2.069 -0.100 144 2HD2 LEU 22 2HD2 LEU 22 -10.366 -3.423 -1.230 145 3HD2 LEU 22 3HD2 LEU 22 -9.375 -1.998 -1.551 146 H GLY 23 H GLY 23 -12.726 2.111 1.055 147 1HA GLY 23 1HA GLY 23 -14.448 2.822 2.543 148 2HA GLY 23 2HA GLY 23 -14.909 1.147 2.758 149 H ASN 24 H ASN 24 -11.622 1.025 3.113 150 HA ASN 24 HA ASN 24 -11.843 1.633 5.982 151 1HB ASN 24 1HB ASN 24 -10.153 -0.575 4.886 152 2HB ASN 24 2HB ASN 24 -10.793 -0.395 6.496 153 1HD2 ASN 24 1HD2 ASN 24 -12.654 -2.662 3.878 154 2HD2 ASN 24 2HD2 ASN 24 -11.032 -2.075 3.733 155 H LYS 25 H LYS 25 -10.105 2.551 6.992 156 HA LYS 25 HA LYS 25 -8.069 3.730 5.347 157 1HB LYS 25 1HB LYS 25 -8.062 3.796 8.341 158 2HB LYS 25 2HB LYS 25 -7.629 5.035 7.191 159 1HG LYS 25 1HG LYS 25 -10.466 4.162 7.557 160 2HG LYS 25 2HG LYS 25 -9.729 5.426 8.545 161 1HD LYS 25 1HD LYS 25 -9.491 5.625 5.579 162 2HD LYS 25 2HD LYS 25 -11.046 6.004 6.322 163 1HE LYS 25 1HE LYS 25 -9.505 7.959 5.967 164 2HE LYS 25 2HE LYS 25 -10.094 7.757 7.614 165 1HZ LYS 25 1HZ LYS 25 -7.870 6.428 7.865 166 2HZ LYS 25 2HZ LYS 25 -7.387 7.376 6.541 167 3HZ LYS 25 3HZ LYS 25 -7.888 8.120 7.986 168 H TYR 26 H TYR 26 -6.202 2.604 4.892 169 HA TYR 26 HA TYR 26 -5.662 0.315 6.606 170 1HB TYR 26 1HB TYR 26 -4.744 1.036 3.839 171 2HB TYR 26 2HB TYR 26 -4.100 -0.336 4.747 172 HD1 TYR 26 1HD TYR 26 -7.299 -0.043 5.892 173 HD2 TYR 26 2HD TYR 26 -5.266 -1.200 2.347 174 HE1 TYR 26 1HE TYR 26 -9.182 -1.433 5.300 175 HE2 TYR 26 2HE TYR 26 -7.161 -2.607 1.749 176 HH TYR 26 HH TYR 26 -9.138 -3.854 3.424 177 H GLU 27 H GLU 27 -4.751 1.017 8.289 178 HA GLU 27 HA GLU 27 -2.616 2.906 8.361 179 1HB GLU 27 1HB GLU 27 -3.543 1.110 10.577 180 2HB GLU 27 2HB GLU 27 -2.751 2.658 10.708 181 1HG GLU 27 1HG GLU 27 -4.738 3.704 9.634 182 2HG GLU 27 2HG GLU 27 -5.542 2.139 9.749 183 H SER 28 H SER 28 -2.783 -0.395 7.816 184 HA SER 28 HA SER 28 0.103 -0.660 8.193 185 1HB SER 28 1HB SER 28 -0.489 -3.108 8.766 186 2HB SER 28 2HB SER 28 -0.745 -1.909 10.025 187 HG SER 28 HG SER 28 -2.680 -2.743 10.052 188 H CYS 29 H CYS 29 0.663 -2.898 6.919 189 HA CYS 29 HA CYS 29 -0.095 -2.376 4.249 190 1HB CYS 29 1HB CYS 29 1.182 -4.837 5.448 191 2HB CYS 29 2HB CYS 29 0.977 -4.575 3.735 192 H THR 30 H THR 30 -1.175 -4.012 2.878 193 HA THR 30 HA THR 30 -3.211 -5.597 4.261 194 HB THR 30 HB THR 30 -4.272 -3.371 3.778 195 HG1 THR 30 1HG THR 30 -5.729 -4.974 3.681 196 1HG2 THR 30 1HG2 THR 30 -4.344 -3.869 0.888 197 2HG2 THR 30 2HG2 THR 30 -4.220 -2.355 1.783 198 3HG2 THR 30 3HG2 THR 30 -2.782 -3.336 1.508 199 H SER 31 H SER 31 -4.560 -6.721 2.456 200 HA SER 31 HA SER 31 -2.771 -7.562 0.289 201 1HB SER 31 1HB SER 31 -3.709 -9.880 0.580 202 2HB SER 31 2HB SER 31 -2.712 -9.329 1.934 203 HG SER 31 HG SER 31 -5.364 -10.011 1.865 204 H ALA 32 H ALA 32 -5.245 -5.812 0.955 205 HA ALA 32 HA ALA 32 -7.484 -6.722 -0.477 206 1HB ALA 32 1HB ALA 32 -6.507 -4.110 0.539 207 2HB ALA 32 2HB ALA 32 -7.684 -4.045 -0.771 208 3HB ALA 32 3HB ALA 32 -8.086 -4.873 0.735 209 H GLY 33 H GLY 33 -8.178 -6.324 -2.595 210 1HA GLY 33 1HA GLY 33 -7.969 -5.816 -4.840 211 2HA GLY 33 2HA GLY 33 -6.558 -4.840 -4.438 212 H ARG 34 H ARG 34 -5.695 -7.568 -3.019 213 HA ARG 34 HA ARG 34 -4.460 -8.667 -5.448 214 1HB ARG 34 1HB ARG 34 -3.478 -8.748 -2.590 215 2HB ARG 34 2HB ARG 34 -2.684 -9.492 -3.957 216 1HG ARG 34 1HG ARG 34 -2.806 -6.987 -4.863 217 2HG ARG 34 2HG ARG 34 -2.775 -6.673 -3.123 218 1HD ARG 34 1HD ARG 34 -0.509 -6.741 -4.132 219 2HD ARG 34 2HD ARG 34 -0.739 -7.972 -2.886 220 HE ARG 34 HE ARG 34 -0.463 -9.595 -4.461 221 1HH1 ARG 34 1HH1 ARG 34 -1.110 -6.551 -6.077 222 2HH1 ARG 34 2HH1 ARG 34 -0.795 -7.189 -7.664 223 1HH2 ARG 34 1HH2 ARG 34 -0.064 -10.433 -6.539 224 2HH2 ARG 34 2HH2 ARG 34 -0.217 -9.398 -7.925 225 H SER 35 H SER 35 -4.649 -10.031 -2.212 226 HA SER 35 HA SER 35 -5.414 -12.001 -1.385 227 1HB SER 35 1HB SER 35 -7.332 -12.004 -3.736 228 2HB SER 35 2HB SER 35 -7.489 -12.929 -2.242 229 HG SER 35 HG SER 35 -7.345 -10.647 -1.271 230 H ASP 36 H ASP 36 -3.277 -11.827 -3.333 231 HA ASP 36 HA ASP 36 -3.427 -14.441 -4.627 232 1HB ASP 36 1HB ASP 36 -2.118 -13.604 -6.312 233 2HB ASP 36 2HB ASP 36 -2.951 -12.153 -5.809 234 H GLY 37 H GLY 37 -1.723 -12.498 -2.389 235 1HA GLY 37 1HA GLY 37 -0.724 -14.300 -0.714 236 2HA GLY 37 2HA GLY 37 0.424 -14.433 -2.036 237 H LYS 38 H LYS 38 1.245 -12.154 -2.775 238 HA LYS 38 HA LYS 38 2.724 -11.084 -0.646 239 1HB LYS 38 1HB LYS 38 2.200 -9.725 -3.281 240 2HB LYS 38 2HB LYS 38 3.625 -9.576 -2.260 241 1HG LYS 38 1HG LYS 38 4.430 -10.976 -3.841 242 2HG LYS 38 2HG LYS 38 3.807 -12.162 -2.705 243 1HD LYS 38 1HD LYS 38 1.689 -12.191 -4.058 244 2HD LYS 38 2HD LYS 38 2.519 -11.182 -5.248 245 1HE LYS 38 1HE LYS 38 4.207 -12.920 -5.551 246 2HE LYS 38 2HE LYS 38 3.409 -13.921 -4.335 247 1HZ LYS 38 1HZ LYS 38 1.432 -13.301 -6.119 248 2HZ LYS 38 2HZ LYS 38 2.792 -13.592 -7.103 249 3HZ LYS 38 3HZ LYS 38 2.259 -14.780 -6.007 250 H MET 39 H MET 39 2.252 -9.545 0.809 251 HA MET 39 HA MET 39 -0.199 -8.029 0.494 252 1HB MET 39 1HB MET 39 1.831 -7.897 2.734 253 2HB MET 39 2HB MET 39 0.204 -7.241 2.740 254 1HG MET 39 1HG MET 39 -0.692 -9.530 2.576 255 2HG MET 39 2HG MET 39 0.957 -10.145 2.685 256 1HE MET 39 1HE MET 39 2.528 -9.111 4.313 257 2HE MET 39 2HE MET 39 2.026 -7.988 5.581 258 3HE MET 39 3HE MET 39 2.228 -9.703 5.946 259 H TRP 40 H TRP 40 -0.186 -5.693 0.553 260 HA TRP 40 HA TRP 40 2.384 -4.493 -0.243 261 1HB TRP 40 1HB TRP 40 1.149 -3.136 -1.929 262 2HB TRP 40 2HB TRP 40 1.099 -4.863 -2.297 263 HD1 TRP 40 HD1 TRP 40 -1.304 -6.119 -1.416 264 HE1 TRP 40 1HE TRP 40 -3.684 -5.179 -1.369 265 HE3 TRP 40 3HE TRP 40 -0.232 -1.140 -1.849 266 HZ2 TRP 40 2HZ TRP 40 -4.935 -2.700 -1.451 267 HZ3 TRP 40 3HZ TRP 40 -2.117 0.466 -1.816 268 HH2 TRP 40 HH2 TRP 40 -4.439 -0.315 -1.614 269 H CYS 41 H CYS 41 1.747 -1.975 -0.570 270 HA CYS 41 HA CYS 41 0.042 -0.924 1.502 271 1HB CYS 41 1HB CYS 41 1.954 0.452 2.444 272 2HB CYS 41 2HB CYS 41 1.974 -1.258 2.875 273 H ALA 42 H ALA 42 -0.722 1.044 0.843 274 HA ALA 42 HA ALA 42 -0.025 1.888 -1.797 275 1HB ALA 42 1HB ALA 42 -2.312 2.114 -0.616 276 2HB ALA 42 2HB ALA 42 -1.629 3.586 0.078 277 3HB ALA 42 3HB ALA 42 -1.767 3.418 -1.673 278 H THR 43 H THR 43 0.916 3.828 -2.437 279 HA THR 43 HA THR 43 2.761 4.923 -0.445 280 HB THR 43 HB THR 43 4.100 5.639 -2.362 281 HG1 THR 43 1HG THR 43 2.766 6.079 -4.003 282 1HG2 THR 43 1HG2 THR 43 4.045 3.198 -3.542 283 2HG2 THR 43 2HG2 THR 43 4.895 3.567 -2.041 284 3HG2 THR 43 3HG2 THR 43 3.286 2.850 -1.989 285 H THR 44 H THR 44 -0.156 5.521 -1.081 286 HA THR 44 HA THR 44 0.110 8.426 -0.981 287 HB THR 44 HB THR 44 -1.974 8.616 -2.369 288 HG1 THR 44 1HG THR 44 -2.981 6.838 -2.776 289 1HG2 THR 44 1HG2 THR 44 0.013 7.198 -4.074 290 2HG2 THR 44 2HG2 THR 44 -0.921 8.658 -4.401 291 3HG2 THR 44 3HG2 THR 44 0.452 8.718 -3.296 292 H ALA 45 H ALA 45 -1.319 9.404 0.421 293 HA ALA 45 HA ALA 45 -2.276 8.019 2.609 294 1HB ALA 45 1HB ALA 45 -2.104 10.651 1.915 295 2HB ALA 45 2HB ALA 45 -3.852 10.404 1.992 296 3HB ALA 45 3HB ALA 45 -2.846 10.036 3.393 297 H ASN 46 H ASN 46 -3.870 8.601 -0.436 298 HA ASN 46 HA ASN 46 -6.118 6.938 0.461 299 1HB ASN 46 1HB ASN 46 -6.696 9.428 0.144 300 2HB ASN 46 2HB ASN 46 -6.434 9.145 -1.574 301 1HD2 ASN 46 1HD2 ASN 46 -9.940 8.416 -0.030 302 2HD2 ASN 46 2HD2 ASN 46 -8.728 9.463 0.605 303 H TYR 47 H TYR 47 -6.105 5.123 -0.691 304 HA TYR 47 HA TYR 47 -4.526 5.015 -3.093 305 1HB TYR 47 1HB TYR 47 -4.358 3.226 -1.370 306 2HB TYR 47 2HB TYR 47 -5.989 2.716 -1.806 307 HD1 TYR 47 1HD TYR 47 -6.424 1.652 -3.970 308 HD2 TYR 47 2HD TYR 47 -2.506 2.860 -2.856 309 HE1 TYR 47 1HE TYR 47 -5.487 0.310 -5.802 310 HE2 TYR 47 2HE TYR 47 -1.564 1.522 -4.674 311 HH TYR 47 HH TYR 47 -3.186 0.487 -7.219 312 H ASP 48 H ASP 48 -7.939 4.201 -2.272 313 HA ASP 48 HA ASP 48 -8.885 3.454 -4.706 314 1HB ASP 48 1HB ASP 48 -10.101 5.167 -2.581 315 2HB ASP 48 2HB ASP 48 -10.974 4.904 -4.083 316 H ASP 49 H ASP 49 -7.957 6.705 -3.820 317 HA ASP 49 HA ASP 49 -9.025 7.907 -6.209 318 1HB ASP 49 1HB ASP 49 -7.553 8.896 -3.800 319 2HB ASP 49 2HB ASP 49 -7.663 9.919 -5.229 320 H ASP 50 H ASP 50 -5.670 7.777 -4.899 321 HA ASP 50 HA ASP 50 -4.616 8.521 -7.483 322 1HB ASP 50 1HB ASP 50 -3.371 8.033 -4.801 323 2HB ASP 50 2HB ASP 50 -2.375 8.222 -6.238 324 H ARG 51 H ARG 51 -5.003 5.554 -5.771 325 HA ARG 51 HA ARG 51 -4.373 3.440 -6.122 326 1HB ARG 51 1HB ARG 51 -4.653 4.266 -8.993 327 2HB ARG 51 2HB ARG 51 -4.765 2.624 -8.360 328 1HG ARG 51 1HG ARG 51 -6.495 4.040 -6.780 329 2HG ARG 51 2HG ARG 51 -6.755 4.739 -8.383 330 1HD ARG 51 1HD ARG 51 -6.803 1.799 -7.743 331 2HD ARG 51 2HD ARG 51 -8.233 2.829 -7.827 332 HE ARG 51 HE ARG 51 -6.686 2.967 -10.222 333 1HH1 ARG 51 1HH1 ARG 51 -8.920 0.919 -8.481 334 2HH1 ARG 51 2HH1 ARG 51 -9.621 0.238 -9.916 335 1HH2 ARG 51 1HH2 ARG 51 -7.504 1.989 -12.102 336 2HH2 ARG 51 2HH2 ARG 51 -8.796 0.832 -11.987 337 H LYS 52 H LYS 52 -2.150 4.796 -5.490 338 HA LYS 52 HA LYS 52 -0.127 3.601 -7.261 339 1HB LYS 52 1HB LYS 52 -0.028 6.090 -5.559 340 2HB LYS 52 2HB LYS 52 1.437 5.287 -6.117 341 1HG LYS 52 1HG LYS 52 1.139 5.930 -8.274 342 2HG LYS 52 2HG LYS 52 -0.619 5.867 -8.158 343 1HD LYS 52 1HD LYS 52 0.075 8.151 -8.466 344 2HD LYS 52 2HD LYS 52 -0.557 7.957 -6.832 345 1HE LYS 52 1HE LYS 52 1.651 7.931 -5.910 346 2HE LYS 52 2HE LYS 52 2.378 7.869 -7.517 347 1HZ LYS 52 1HZ LYS 52 0.738 10.091 -7.499 348 2HZ LYS 52 2HZ LYS 52 1.556 10.130 -6.009 349 3HZ LYS 52 3HZ LYS 52 2.439 10.071 -7.460 350 H TRP 53 H TRP 53 0.647 1.809 -6.449 351 HA TRP 53 HA TRP 53 0.807 1.520 -3.522 352 1HB TRP 53 1HB TRP 53 0.098 -0.771 -3.800 353 2HB TRP 53 2HB TRP 53 -1.052 0.277 -4.545 354 HD1 TRP 53 HD1 TRP 53 -0.688 0.495 -7.399 355 HE1 TRP 53 1HE TRP 53 -0.104 -1.439 -9.012 356 HE3 TRP 53 3HE TRP 53 1.117 -2.709 -3.992 357 HZ2 TRP 53 2HZ TRP 53 1.009 -4.062 -8.796 358 HZ3 TRP 53 3HZ TRP 53 1.942 -4.947 -4.713 359 HH2 TRP 53 HH2 TRP 53 1.884 -5.591 -7.076 360 H GLY 54 H GLY 54 1.960 -0.513 -2.965 361 1HA GLY 54 1HA GLY 54 4.206 -1.366 -4.499 362 2HA GLY 54 2HA GLY 54 4.667 -0.268 -3.196 363 H PHE 55 H PHE 55 4.912 -3.310 -3.658 364 HA PHE 55 HA PHE 55 3.336 -4.653 -1.800 365 1HB PHE 55 1HB PHE 55 6.052 -5.195 -2.968 366 2HB PHE 55 2HB PHE 55 5.334 -6.270 -1.783 367 HD1 PHE 55 1HD PHE 55 2.556 -6.367 -2.547 368 HD2 PHE 55 2HD PHE 55 6.020 -6.274 -5.011 369 HE1 PHE 55 1HE PHE 55 1.345 -7.626 -4.282 370 HE2 PHE 55 2HE PHE 55 4.820 -7.529 -6.749 371 HZ PHE 55 HZ PHE 55 2.477 -8.198 -6.396 372 H CYS 56 H CYS 56 3.778 -5.392 0.301 373 HA CYS 56 HA CYS 56 4.876 -3.450 2.040 374 1HB CYS 56 1HB CYS 56 3.029 -5.232 2.486 375 2HB CYS 56 2HB CYS 56 4.372 -6.316 2.819 376 HA PRO 57 HA PRO 57 9.072 -4.863 1.498 377 1HB PRO 57 1HB PRO 57 10.341 -3.028 2.926 378 2HB PRO 57 2HB PRO 57 9.572 -2.625 1.383 379 1HG PRO 57 1HG PRO 57 8.468 -2.367 4.139 380 2HG PRO 57 2HG PRO 57 8.561 -1.104 2.895 381 1HD PRO 57 1HD PRO 57 6.309 -2.490 3.320 382 2HD PRO 57 2HD PRO 57 6.818 -2.071 1.667 383 H ASP 58 H ASP 58 7.275 -5.270 4.022 384 HA ASP 58 HA ASP 58 9.180 -6.987 5.371 385 1HB ASP 58 1HB ASP 58 9.228 -4.650 6.453 386 2HB ASP 58 2HB ASP 58 7.624 -5.037 7.054 387 H GLN 59 H GLN 59 8.047 -8.825 5.074 388 HA GLN 59 HA GLN 59 5.276 -8.864 6.065 389 1HB GLN 59 1HB GLN 59 6.421 -10.551 3.835 390 2HB GLN 59 2HB GLN 59 4.767 -10.598 4.422 391 1HG GLN 59 1HG GLN 59 4.497 -8.252 3.695 392 2HG GLN 59 2HG GLN 59 6.124 -8.313 3.014 393 1HE2 GLN 59 1HE2 GLN 59 5.033 -9.635 0.025 394 2HE2 GLN 59 2HE2 GLN 59 6.203 -8.732 0.925 395 H GLY 60 H GLY 60 5.597 -9.672 8.086 396 1HA GLY 60 1HA GLY 60 5.744 -12.319 8.625 397 2HA GLY 60 2HA GLY 60 7.437 -11.850 8.549 Start of MODEL 41 1 H SER 1 1H SER 1 17.211 1.670 8.174 2 HA SER 1 HA SER 1 17.789 2.080 5.920 3 1HB SER 1 1HB SER 1 17.843 -0.426 5.391 4 2HB SER 1 2HB SER 1 16.087 -0.336 5.243 5 HG SER 1 HG SER 1 17.950 1.207 3.724 6 H TRP 2 H TRP 2 16.393 3.381 4.665 7 HA TRP 2 HA TRP 2 13.987 4.165 5.995 8 1HB TRP 2 1HB TRP 2 15.481 5.735 4.774 9 2HB TRP 2 2HB TRP 2 15.016 4.961 3.263 10 HD1 TRP 2 HD1 TRP 2 12.763 6.250 6.168 11 HE1 TRP 2 1HE TRP 2 11.048 7.894 5.169 12 HE3 TRP 2 3HE TRP 2 14.339 6.203 1.308 13 HZ2 TRP 2 2HZ TRP 2 10.432 8.998 2.646 14 HZ3 TRP 2 3HZ TRP 2 13.128 7.569 -0.341 15 HH2 TRP 2 HH2 TRP 2 11.210 8.942 0.318 16 H MET 3 H MET 3 12.039 3.298 5.755 17 HA MET 3 HA MET 3 11.554 1.065 4.164 18 1HB MET 3 1HB MET 3 9.543 2.948 5.409 19 2HB MET 3 2HB MET 3 9.168 1.365 4.748 20 1HG MET 3 1HG MET 3 10.777 0.396 6.411 21 2HG MET 3 2HG MET 3 10.850 1.993 7.157 22 1HE MET 3 1HE MET 3 8.543 3.264 6.978 23 2HE MET 3 2HE MET 3 6.986 2.441 6.922 24 3HE MET 3 3HE MET 3 7.698 2.867 8.478 25 H SER 4 H SER 4 11.870 1.236 2.042 26 HA SER 4 HA SER 4 10.357 3.262 0.546 27 1HB SER 4 1HB SER 4 12.529 1.415 -0.493 28 2HB SER 4 2HB SER 4 11.852 2.830 -1.304 29 HG SER 4 HG SER 4 12.955 3.232 1.220 30 H THR 5 H THR 5 9.884 2.031 -1.828 31 HA THR 5 HA THR 5 8.283 -0.259 -0.959 32 HB THR 5 HB THR 5 7.060 0.326 -3.196 33 HG1 THR 5 1HG THR 5 7.492 2.949 -2.680 34 1HG2 THR 5 1HG2 THR 5 5.930 2.316 -1.775 35 2HG2 THR 5 2HG2 THR 5 5.582 0.600 -1.543 36 3HG2 THR 5 3HG2 THR 5 6.746 1.411 -0.499 37 H VAL 6 H VAL 6 7.867 -1.927 -2.391 38 HA VAL 6 HA VAL 6 9.818 -2.449 -4.491 39 HB VAL 6 HB VAL 6 10.700 -3.924 -2.968 40 1HG1 VAL 6 1HG1 VAL 6 9.329 -3.210 -1.069 41 2HG1 VAL 6 2HG1 VAL 6 8.011 -4.233 -1.647 42 3HG1 VAL 6 3HG1 VAL 6 9.514 -4.964 -1.092 43 1HG2 VAL 6 1HG2 VAL 6 8.445 -5.272 -4.280 44 2HG2 VAL 6 2HG2 VAL 6 10.174 -5.619 -4.353 45 3HG2 VAL 6 3HG2 VAL 6 9.225 -6.127 -2.953 46 H GLY 7 H GLY 7 8.735 -4.042 -6.083 47 1HA GLY 7 1HA GLY 7 6.747 -4.729 -7.181 48 2HA GLY 7 2HA GLY 7 5.962 -4.562 -5.640 49 H GLY 8 H GLY 8 4.148 -3.666 -6.704 50 1HA GLY 8 1HA GLY 8 2.834 -1.958 -7.513 51 2HA GLY 8 2HA GLY 8 3.748 -1.022 -6.361 52 H ASN 9 H ASN 9 3.912 0.853 -7.370 53 HA ASN 9 HA ASN 9 5.593 0.975 -9.734 54 1HB ASN 9 1HB ASN 9 4.034 2.798 -10.642 55 2HB ASN 9 2HB ASN 9 3.462 1.143 -10.787 56 1HD2 ASN 9 1HD2 ASN 9 0.572 3.042 -9.671 57 2HD2 ASN 9 2HD2 ASN 9 1.567 2.901 -11.073 58 H SER 10 H SER 10 3.857 3.702 -8.757 59 HA SER 10 HA SER 10 4.486 5.747 -8.030 60 1HB SER 10 1HB SER 10 5.288 4.088 -5.668 61 2HB SER 10 2HB SER 10 4.623 5.720 -5.686 62 HG SER 10 HG SER 10 3.350 3.263 -6.160 63 H GLY 11 H GLY 11 6.985 4.159 -9.166 64 1HA GLY 11 1HA GLY 11 9.213 4.649 -9.436 65 2HA GLY 11 2HA GLY 11 8.834 6.244 -8.804 66 H GLY 12 H GLY 12 8.051 3.649 -6.721 67 1HA GLY 12 1HA GLY 12 9.219 2.672 -4.947 68 2HA GLY 12 2HA GLY 12 10.639 3.602 -5.404 69 H ALA 13 H ALA 13 7.528 5.097 -4.943 70 HA ALA 13 HA ALA 13 8.561 6.895 -2.971 71 1HB ALA 13 1HB ALA 13 6.589 7.121 -4.774 72 2HB ALA 13 2HB ALA 13 5.630 6.684 -3.359 73 3HB ALA 13 3HB ALA 13 6.670 8.108 -3.317 74 HA PRO 14 HA PRO 14 7.604 4.725 0.772 75 1HB PRO 14 1HB PRO 14 6.691 7.209 2.013 76 2HB PRO 14 2HB PRO 14 8.123 6.240 2.373 77 1HG PRO 14 1HG PRO 14 8.246 8.682 1.187 78 2HG PRO 14 2HG PRO 14 9.443 7.403 0.902 79 1HD PRO 14 1HD PRO 14 7.179 8.311 -0.820 80 2HD PRO 14 2HD PRO 14 8.797 7.745 -1.280 81 H CYS 15 H CYS 15 5.876 3.871 1.925 82 HA CYS 15 HA CYS 15 3.278 4.308 0.763 83 1HB CYS 15 1HB CYS 15 4.209 2.486 2.997 84 2HB CYS 15 2HB CYS 15 2.549 2.543 2.412 85 H VAL 16 H VAL 16 1.833 5.735 1.443 86 HA VAL 16 HA VAL 16 2.273 7.257 3.859 87 HB VAL 16 HB VAL 16 0.112 7.411 1.747 88 1HG1 VAL 16 1HG1 VAL 16 -0.488 8.242 4.111 89 2HG1 VAL 16 2HG1 VAL 16 0.634 9.559 3.766 90 3HG1 VAL 16 3HG1 VAL 16 -0.775 9.308 2.736 91 1HG2 VAL 16 1HG2 VAL 16 2.463 8.025 1.106 92 2HG2 VAL 16 2HG2 VAL 16 1.267 9.303 0.901 93 3HG2 VAL 16 3HG2 VAL 16 2.365 9.337 2.281 94 H PHE 17 H PHE 17 1.504 6.689 5.773 95 HA PHE 17 HA PHE 17 -0.937 5.069 5.890 96 1HB PHE 17 1HB PHE 17 1.512 5.039 7.650 97 2HB PHE 17 2HB PHE 17 -0.001 4.274 8.093 98 HD1 PHE 17 1HD PHE 17 -0.959 2.644 6.151 99 HD2 PHE 17 2HD PHE 17 3.100 3.747 6.754 100 HE1 PHE 17 1HE PHE 17 -0.231 0.610 4.981 101 HE2 PHE 17 2HE PHE 17 3.848 1.724 5.586 102 HZ PHE 17 HZ PHE 17 2.190 0.126 4.678 103 HA PRO 18 HA PRO 18 -2.375 4.530 6.970 104 1HB PRO 18 1HB PRO 18 -4.982 5.417 7.580 105 2HB PRO 18 2HB PRO 18 -3.957 4.390 8.580 106 1HG PRO 18 1HG PRO 18 -4.787 6.994 9.200 107 2HG PRO 18 2HG PRO 18 -3.489 6.092 9.998 108 1HD PRO 18 1HD PRO 18 -3.316 8.186 7.877 109 2HD PRO 18 2HD PRO 18 -2.205 7.850 9.225 110 H PHE 19 H PHE 19 -2.974 4.072 4.910 111 HA PHE 19 HA PHE 19 -4.021 6.306 3.331 112 1HB PHE 19 1HB PHE 19 -3.655 4.913 1.331 113 2HB PHE 19 2HB PHE 19 -2.182 5.175 2.243 114 HD1 PHE 19 1HD PHE 19 -1.425 3.260 3.796 115 HD2 PHE 19 2HD PHE 19 -4.296 2.812 0.693 116 HE1 PHE 19 1HE PHE 19 -0.972 0.845 3.734 117 HE2 PHE 19 2HE PHE 19 -3.850 0.394 0.618 118 HZ PHE 19 HZ PHE 19 -2.185 -0.597 2.146 119 H THR 20 H THR 20 -5.549 5.024 1.435 120 HA THR 20 HA THR 20 -7.535 3.539 2.972 121 HB THR 20 HB THR 20 -8.077 6.173 1.564 122 HG1 THR 20 1HG THR 20 -7.402 5.671 4.015 123 1HG2 THR 20 1HG2 THR 20 -10.257 4.911 3.073 124 2HG2 THR 20 2HG2 THR 20 -10.294 5.871 1.592 125 3HG2 THR 20 3HG2 THR 20 -9.864 4.162 1.526 126 H PHE 21 H PHE 21 -8.308 1.925 1.888 127 HA PHE 21 HA PHE 21 -8.459 2.082 -1.051 128 1HB PHE 21 1HB PHE 21 -6.482 0.701 -0.044 129 2HB PHE 21 2HB PHE 21 -7.727 -0.440 0.400 130 HD1 PHE 21 1HD PHE 21 -8.442 1.249 -2.694 131 HD2 PHE 21 2HD PHE 21 -6.348 -2.005 -0.942 132 HE1 PHE 21 1HE PHE 21 -8.301 0.155 -4.874 133 HE2 PHE 21 2HE PHE 21 -6.198 -3.105 -3.115 134 HZ PHE 21 HZ PHE 21 -7.171 -2.022 -5.111 135 H LEU 22 H LEU 22 -10.253 1.018 -1.883 136 HA LEU 22 HA LEU 22 -12.447 0.588 -1.937 137 1HB LEU 22 1HB LEU 22 -11.211 -1.550 -0.311 138 2HB LEU 22 2HB LEU 22 -12.762 -1.737 -1.109 139 HG LEU 22 HG LEU 22 -11.575 -2.553 -2.817 140 1HD1 LEU 22 1HD1 LEU 22 -11.592 0.107 -3.260 141 2HD1 LEU 22 2HD1 LEU 22 -9.922 -0.374 -3.545 142 3HD1 LEU 22 3HD1 LEU 22 -11.228 -1.158 -4.438 143 1HD2 LEU 22 1HD2 LEU 22 -9.408 -1.878 -1.066 144 2HD2 LEU 22 2HD2 LEU 22 -9.803 -3.399 -1.864 145 3HD2 LEU 22 3HD2 LEU 22 -8.996 -2.111 -2.762 146 H GLY 23 H GLY 23 -12.003 2.471 0.143 147 1HA GLY 23 1HA GLY 23 -13.536 3.444 1.607 148 2HA GLY 23 2HA GLY 23 -14.370 1.911 1.718 149 H ASN 24 H ASN 24 -11.283 1.014 2.369 150 HA ASN 24 HA ASN 24 -11.710 1.490 5.245 151 1HB ASN 24 1HB ASN 24 -10.210 -0.725 3.846 152 2HB ASN 24 2HB ASN 24 -10.435 -0.579 5.579 153 1HD2 ASN 24 1HD2 ASN 24 -13.143 -2.383 3.311 154 2HD2 ASN 24 2HD2 ASN 24 -11.572 -1.913 2.782 155 H LYS 25 H LYS 25 -10.125 2.392 6.474 156 HA LYS 25 HA LYS 25 -7.895 3.612 5.161 157 1HB LYS 25 1HB LYS 25 -8.741 3.433 8.056 158 2HB LYS 25 2HB LYS 25 -7.493 4.474 7.431 159 1HG LYS 25 1HG LYS 25 -9.090 5.736 6.146 160 2HG LYS 25 2HG LYS 25 -10.378 4.620 6.627 161 1HD LYS 25 1HD LYS 25 -10.224 5.293 8.894 162 2HD LYS 25 2HD LYS 25 -8.746 6.206 8.595 163 1HE LYS 25 1HE LYS 25 -10.038 7.715 7.105 164 2HE LYS 25 2HE LYS 25 -11.507 6.843 7.559 165 1HZ LYS 25 1HZ LYS 25 -11.071 7.476 9.881 166 2HZ LYS 25 2HZ LYS 25 -9.732 8.391 9.380 167 3HZ LYS 25 3HZ LYS 25 -11.305 8.819 8.882 168 H TYR 26 H TYR 26 -5.850 2.727 5.038 169 HA TYR 26 HA TYR 26 -5.404 0.343 6.682 170 1HB TYR 26 1HB TYR 26 -4.155 1.106 4.045 171 2HB TYR 26 2HB TYR 26 -3.800 -0.352 4.961 172 HD1 TYR 26 1HD TYR 26 -6.877 -0.594 5.786 173 HD2 TYR 26 2HD TYR 26 -4.794 -0.232 2.112 174 HE1 TYR 26 1HE TYR 26 -8.688 -1.779 4.643 175 HE2 TYR 26 2HE TYR 26 -6.594 -1.404 0.963 176 HH TYR 26 HH TYR 26 -9.350 -1.690 1.654 177 H GLU 27 H GLU 27 -4.242 0.710 8.334 178 HA GLU 27 HA GLU 27 -2.269 2.841 8.422 179 1HB GLU 27 1HB GLU 27 -3.181 0.954 10.586 180 2HB GLU 27 2HB GLU 27 -2.253 2.416 10.801 181 1HG GLU 27 1HG GLU 27 -4.145 3.729 9.962 182 2HG GLU 27 2HG GLU 27 -5.081 2.245 9.819 183 H SER 28 H SER 28 -2.418 -0.422 7.762 184 HA SER 28 HA SER 28 0.476 -0.710 8.025 185 1HB SER 28 1HB SER 28 -0.136 -3.190 8.492 186 2HB SER 28 2HB SER 28 -0.289 -2.043 9.819 187 HG SER 28 HG SER 28 -2.168 -3.610 8.785 188 H CYS 29 H CYS 29 0.996 -2.896 6.640 189 HA CYS 29 HA CYS 29 0.193 -2.250 4.010 190 1HB CYS 29 1HB CYS 29 1.440 -4.816 4.960 191 2HB CYS 29 2HB CYS 29 1.364 -4.259 3.308 192 H THR 30 H THR 30 -0.959 -3.586 2.573 193 HA THR 30 HA THR 30 -2.990 -5.296 3.833 194 HB THR 30 HB THR 30 -3.942 -3.019 3.368 195 HG1 THR 30 1HG THR 30 -5.382 -4.721 3.227 196 1HG2 THR 30 1HG2 THR 30 -4.138 -3.317 0.508 197 2HG2 THR 30 2HG2 THR 30 -3.619 -1.931 1.465 198 3HG2 THR 30 3HG2 THR 30 -2.455 -3.176 1.016 199 H SER 31 H SER 31 -4.275 -6.384 1.996 200 HA SER 31 HA SER 31 -2.496 -7.125 -0.203 201 1HB SER 31 1HB SER 31 -3.531 -9.479 0.081 202 2HB SER 31 2HB SER 31 -2.267 -8.992 1.220 203 HG SER 31 HG SER 31 -3.707 -8.866 2.798 204 H ALA 32 H ALA 32 -4.896 -5.394 0.463 205 HA ALA 32 HA ALA 32 -7.231 -6.294 -0.757 206 1HB ALA 32 1HB ALA 32 -6.093 -3.561 -0.231 207 2HB ALA 32 2HB ALA 32 -7.615 -3.749 -1.099 208 3HB ALA 32 3HB ALA 32 -7.462 -4.354 0.551 209 H GLY 33 H GLY 33 -8.045 -6.207 -2.782 210 1HA GLY 33 1HA GLY 33 -8.115 -5.902 -5.062 211 2HA GLY 33 2HA GLY 33 -6.741 -4.815 -4.923 212 H ARG 34 H ARG 34 -5.575 -7.326 -3.361 213 HA ARG 34 HA ARG 34 -4.438 -8.496 -5.798 214 1HB ARG 34 1HB ARG 34 -3.436 -8.531 -2.948 215 2HB ARG 34 2HB ARG 34 -2.645 -9.311 -4.299 216 1HG ARG 34 1HG ARG 34 -2.747 -6.831 -5.275 217 2HG ARG 34 2HG ARG 34 -2.758 -6.455 -3.556 218 1HD ARG 34 1HD ARG 34 -0.479 -6.522 -4.507 219 2HD ARG 34 2HD ARG 34 -0.719 -7.706 -3.219 220 HE ARG 34 HE ARG 34 -0.399 -9.387 -4.733 221 1HH1 ARG 34 1HH1 ARG 34 -0.882 -6.381 -6.484 222 2HH1 ARG 34 2HH1 ARG 34 -0.529 -7.084 -8.030 223 1HH2 ARG 34 1HH2 ARG 34 0.007 -10.313 -6.767 224 2HH2 ARG 34 2HH2 ARG 34 -0.069 -9.330 -8.201 225 H SER 35 H SER 35 -4.978 -9.636 -2.493 226 HA SER 35 HA SER 35 -5.594 -11.614 -1.611 227 1HB SER 35 1HB SER 35 -7.677 -12.643 -2.500 228 2HB SER 35 2HB SER 35 -7.820 -10.909 -2.225 229 HG SER 35 HG SER 35 -6.978 -11.448 -4.749 230 H ASP 36 H ASP 36 -3.452 -11.667 -3.567 231 HA ASP 36 HA ASP 36 -3.707 -14.388 -4.608 232 1HB ASP 36 1HB ASP 36 -2.205 -13.811 -6.307 233 2HB ASP 36 2HB ASP 36 -3.217 -12.398 -6.134 234 H GLY 37 H GLY 37 -1.736 -12.210 -2.785 235 1HA GLY 37 1HA GLY 37 -0.870 -13.923 -0.869 236 2HA GLY 37 2HA GLY 37 0.285 -14.163 -2.171 237 H LYS 38 H LYS 38 1.216 -12.030 -3.047 238 HA LYS 38 HA LYS 38 2.727 -10.824 -1.074 239 1HB LYS 38 1HB LYS 38 2.050 -9.542 -3.715 240 2HB LYS 38 2HB LYS 38 3.523 -9.356 -2.767 241 1HG LYS 38 1HG LYS 38 4.263 -10.796 -4.347 242 2HG LYS 38 2HG LYS 38 3.701 -11.957 -3.155 243 1HD LYS 38 1HD LYS 38 1.556 -12.094 -4.400 244 2HD LYS 38 2HD LYS 38 2.243 -11.032 -5.628 245 1HE LYS 38 1HE LYS 38 3.978 -12.653 -6.118 246 2HE LYS 38 2HE LYS 38 3.400 -13.692 -4.814 247 1HZ LYS 38 1HZ LYS 38 1.219 -13.199 -6.451 248 2HZ LYS 38 2HZ LYS 38 2.513 -13.554 -7.496 249 3HZ LYS 38 3HZ LYS 38 2.075 -14.653 -6.280 250 H MET 39 H MET 39 2.466 -9.143 0.263 251 HA MET 39 HA MET 39 -0.030 -7.652 0.137 252 1HB MET 39 1HB MET 39 2.099 -7.589 2.288 253 2HB MET 39 2HB MET 39 0.476 -6.934 2.386 254 1HG MET 39 1HG MET 39 0.342 -8.888 3.608 255 2HG MET 39 2HG MET 39 -0.336 -9.325 2.042 256 1HE MET 39 1HE MET 39 0.004 -11.356 3.681 257 2HE MET 39 2HE MET 39 0.479 -12.379 2.325 258 3HE MET 39 3HE MET 39 1.482 -12.312 3.773 259 H TRP 40 H TRP 40 0.019 -5.313 0.337 260 HA TRP 40 HA TRP 40 2.538 -4.034 -0.443 261 1HB TRP 40 1HB TRP 40 1.388 -2.800 -2.251 262 2HB TRP 40 2HB TRP 40 1.384 -4.534 -2.553 263 HD1 TRP 40 HD1 TRP 40 -1.086 -5.793 -1.875 264 HE1 TRP 40 1HE TRP 40 -3.466 -4.858 -2.151 265 HE3 TRP 40 3HE TRP 40 0.039 -0.848 -2.306 266 HZ2 TRP 40 2HZ TRP 40 -4.690 -2.349 -2.462 267 HZ3 TRP 40 3HZ TRP 40 -1.794 0.761 -2.564 268 HH2 TRP 40 HH2 TRP 40 -4.113 0.023 -2.648 269 H CYS 41 H CYS 41 1.648 -1.525 -0.910 270 HA CYS 41 HA CYS 41 -0.269 -0.590 0.983 271 1HB CYS 41 1HB CYS 41 1.449 0.907 2.175 272 2HB CYS 41 2HB CYS 41 1.343 -0.775 2.675 273 H ALA 42 H ALA 42 -0.896 1.551 0.515 274 HA ALA 42 HA ALA 42 -0.144 2.435 -2.104 275 1HB ALA 42 1HB ALA 42 -1.908 3.741 -0.041 276 2HB ALA 42 2HB ALA 42 -1.746 4.255 -1.719 277 3HB ALA 42 3HB ALA 42 -2.437 2.675 -1.344 278 H THR 43 H THR 43 0.711 4.470 -2.646 279 HA THR 43 HA THR 43 2.589 5.480 -0.635 280 HB THR 43 HB THR 43 3.898 6.285 -2.513 281 HG1 THR 43 1HG THR 43 2.711 5.231 -4.605 282 1HG2 THR 43 1HG2 THR 43 3.460 3.794 -3.805 283 2HG2 THR 43 2HG2 THR 43 4.772 4.267 -2.724 284 3HG2 THR 43 3HG2 THR 43 3.294 3.562 -2.066 285 H THR 44 H THR 44 -0.374 6.065 -1.468 286 HA THR 44 HA THR 44 -0.166 8.973 -1.122 287 HB THR 44 HB THR 44 -2.184 9.196 -2.605 288 HG1 THR 44 1HG THR 44 -3.122 7.427 -3.213 289 1HG2 THR 44 1HG2 THR 44 -0.440 7.982 -4.542 290 2HG2 THR 44 2HG2 THR 44 -0.861 9.678 -4.305 291 3HG2 THR 44 3HG2 THR 44 0.463 8.960 -3.384 292 H ALA 45 H ALA 45 -2.001 9.888 0.030 293 HA ALA 45 HA ALA 45 -2.899 8.254 2.145 294 1HB ALA 45 1HB ALA 45 -3.281 11.023 1.321 295 2HB ALA 45 2HB ALA 45 -4.698 10.331 2.110 296 3HB ALA 45 3HB ALA 45 -3.141 10.326 2.936 297 H ASN 46 H ASN 46 -4.444 9.236 -0.869 298 HA ASN 46 HA ASN 46 -6.590 7.308 -0.303 299 1HB ASN 46 1HB ASN 46 -7.405 9.654 -0.594 300 2HB ASN 46 2HB ASN 46 -6.727 9.649 -2.226 301 1HD2 ASN 46 1HD2 ASN 46 -10.363 8.259 -1.572 302 2HD2 ASN 46 2HD2 ASN 46 -9.447 9.188 -0.445 303 H TYR 47 H TYR 47 -6.085 5.487 -1.284 304 HA TYR 47 HA TYR 47 -4.421 5.465 -3.628 305 1HB TYR 47 1HB TYR 47 -4.081 3.776 -1.896 306 2HB TYR 47 2HB TYR 47 -5.718 3.172 -2.145 307 HD1 TYR 47 1HD TYR 47 -2.377 3.478 -3.677 308 HD2 TYR 47 2HD TYR 47 -6.219 1.685 -3.931 309 HE1 TYR 47 1HE TYR 47 -1.550 1.966 -5.421 310 HE2 TYR 47 2HE TYR 47 -5.396 0.175 -5.680 311 HH TYR 47 HH TYR 47 -3.000 -0.776 -6.320 312 H ASP 48 H ASP 48 -7.814 5.018 -2.929 313 HA ASP 48 HA ASP 48 -8.668 3.699 -5.191 314 1HB ASP 48 1HB ASP 48 -9.968 5.776 -3.457 315 2HB ASP 48 2HB ASP 48 -10.815 5.086 -4.837 316 H ASP 49 H ASP 49 -7.898 7.104 -4.813 317 HA ASP 49 HA ASP 49 -8.784 7.764 -7.485 318 1HB ASP 49 1HB ASP 49 -7.773 9.292 -5.143 319 2HB ASP 49 2HB ASP 49 -7.530 10.006 -6.735 320 H ASP 50 H ASP 50 -5.669 8.324 -5.854 321 HA ASP 50 HA ASP 50 -4.258 8.710 -8.269 322 1HB ASP 50 1HB ASP 50 -3.330 8.240 -5.441 323 2HB ASP 50 2HB ASP 50 -2.211 8.530 -6.768 324 H ARG 51 H ARG 51 -4.838 5.847 -6.376 325 HA ARG 51 HA ARG 51 -4.169 3.712 -6.527 326 1HB ARG 51 1HB ARG 51 -4.463 4.404 -9.428 327 2HB ARG 51 2HB ARG 51 -4.324 2.766 -8.808 328 1HG ARG 51 1HG ARG 51 -6.281 4.219 -7.350 329 2HG ARG 51 2HG ARG 51 -6.656 4.255 -9.076 330 1HD ARG 51 1HD ARG 51 -6.177 1.854 -7.330 331 2HD ARG 51 2HD ARG 51 -7.712 2.361 -8.033 332 HE ARG 51 HE ARG 51 -5.754 1.927 -10.051 333 1HH1 ARG 51 1HH1 ARG 51 -7.952 0.257 -7.917 334 2HH1 ARG 51 2HH1 ARG 51 -8.030 -1.168 -8.904 335 1HH2 ARG 51 1HH2 ARG 51 -5.782 0.020 -11.308 336 2HH2 ARG 51 2HH2 ARG 51 -6.798 -1.307 -10.821 337 H LYS 52 H LYS 52 -1.965 5.127 -5.946 338 HA LYS 52 HA LYS 52 0.068 3.834 -7.622 339 1HB LYS 52 1HB LYS 52 0.364 6.291 -5.864 340 2HB LYS 52 2HB LYS 52 1.692 5.500 -6.705 341 1HG LYS 52 1HG LYS 52 0.542 5.962 -8.856 342 2HG LYS 52 2HG LYS 52 -0.689 6.855 -7.965 343 1HD LYS 52 1HD LYS 52 2.261 7.510 -8.078 344 2HD LYS 52 2HD LYS 52 0.970 8.361 -8.934 345 1HE LYS 52 1HE LYS 52 -0.041 8.888 -6.710 346 2HE LYS 52 2HE LYS 52 1.383 8.188 -5.946 347 1HZ LYS 52 1HZ LYS 52 2.753 9.834 -7.098 348 2HZ LYS 52 2HZ LYS 52 1.361 10.531 -7.777 349 3HZ LYS 52 3HZ LYS 52 1.596 10.573 -6.091 350 H TRP 53 H TRP 53 0.858 2.115 -6.762 351 HA TRP 53 HA TRP 53 0.854 1.844 -3.835 352 1HB TRP 53 1HB TRP 53 0.169 -0.456 -4.160 353 2HB TRP 53 2HB TRP 53 -0.961 0.636 -4.886 354 HD1 TRP 53 HD1 TRP 53 -0.402 0.971 -7.750 355 HE1 TRP 53 1HE TRP 53 0.045 -0.975 -9.384 356 HE3 TRP 53 3HE TRP 53 0.915 -2.471 -4.355 357 HZ2 TRP 53 2HZ TRP 53 0.863 -3.709 -9.195 358 HZ3 TRP 53 3HZ TRP 53 1.525 -4.773 -5.102 359 HH2 TRP 53 HH2 TRP 53 1.498 -5.363 -7.477 360 H GLY 54 H GLY 54 1.963 -0.316 -3.307 361 1HA GLY 54 1HA GLY 54 4.250 -1.138 -4.737 362 2HA GLY 54 2HA GLY 54 4.710 0.009 -3.479 363 H PHE 55 H PHE 55 5.028 -2.995 -3.864 364 HA PHE 55 HA PHE 55 3.488 -4.368 -1.990 365 1HB PHE 55 1HB PHE 55 6.187 -4.877 -3.206 366 2HB PHE 55 2HB PHE 55 5.511 -5.961 -2.012 367 HD1 PHE 55 1HD PHE 55 2.675 -5.915 -2.783 368 HD2 PHE 55 2HD PHE 55 6.167 -6.121 -5.198 369 HE1 PHE 55 1HE PHE 55 1.395 -7.118 -4.509 370 HE2 PHE 55 2HE PHE 55 4.890 -7.321 -6.929 371 HZ PHE 55 HZ PHE 55 2.507 -7.811 -6.589 372 H CYS 56 H CYS 56 4.001 -5.175 0.055 373 HA CYS 56 HA CYS 56 5.122 -3.247 1.822 374 1HB CYS 56 1HB CYS 56 3.249 -4.960 2.293 375 2HB CYS 56 2HB CYS 56 4.547 -6.123 2.523 376 HA PRO 57 HA PRO 57 9.329 -4.642 1.500 377 1HB PRO 57 1HB PRO 57 10.452 -3.242 3.441 378 2HB PRO 57 2HB PRO 57 9.822 -2.444 1.988 379 1HG PRO 57 1HG PRO 57 8.463 -2.890 4.614 380 2HG PRO 57 2HG PRO 57 8.681 -1.344 3.764 381 1HD PRO 57 1HD PRO 57 6.389 -2.709 3.567 382 2HD PRO 57 2HD PRO 57 7.085 -1.913 2.134 383 H ASP 58 H ASP 58 7.280 -5.624 3.613 384 HA ASP 58 HA ASP 58 9.186 -7.313 5.095 385 1HB ASP 58 1HB ASP 58 7.924 -5.538 6.466 386 2HB ASP 58 2HB ASP 58 6.482 -6.502 6.172 387 H GLN 59 H GLN 59 8.696 -8.512 2.951 388 HA GLN 59 HA GLN 59 6.164 -9.776 2.650 389 1HB GLN 59 1HB GLN 59 8.876 -10.393 1.476 390 2HB GLN 59 2HB GLN 59 7.425 -11.291 1.058 391 1HG GLN 59 1HG GLN 59 7.817 -8.336 0.654 392 2HG GLN 59 2HG GLN 59 7.971 -9.575 -0.593 393 1HE2 GLN 59 1HE2 GLN 59 4.459 -7.941 0.028 394 2HE2 GLN 59 2HE2 GLN 59 5.994 -7.277 0.465 395 H GLY 60 H GLY 60 5.844 -12.139 2.700 396 1HA GLY 60 1HA GLY 60 7.486 -13.910 4.124 397 2HA GLY 60 2HA GLY 60 6.365 -13.176 5.263 Start of MODEL 42 1 H SER 1 1H SER 1 17.127 1.712 6.913 2 HA SER 1 HA SER 1 16.646 3.454 5.742 3 1HB SER 1 1HB SER 1 15.876 2.892 3.348 4 2HB SER 1 2HB SER 1 17.366 2.132 3.911 5 HG SER 1 HG SER 1 15.858 0.683 2.852 6 H TRP 2 H TRP 2 14.572 3.896 3.769 7 HA TRP 2 HA TRP 2 12.414 4.565 5.576 8 1HB TRP 2 1HB TRP 2 12.953 5.122 2.663 9 2HB TRP 2 2HB TRP 2 11.405 5.512 3.406 10 HD1 TRP 2 HD1 TRP 2 15.140 6.260 4.282 11 HE1 TRP 2 1HE TRP 2 15.272 8.711 5.077 12 HE3 TRP 2 3HE TRP 2 10.185 7.506 3.900 13 HZ2 TRP 2 2HZ TRP 2 13.503 10.882 5.471 14 HZ3 TRP 2 3HZ TRP 2 9.489 9.791 4.504 15 HH2 TRP 2 HH2 TRP 2 11.116 11.440 5.274 16 H MET 3 H MET 3 10.128 4.311 4.469 17 HA MET 3 HA MET 3 9.733 1.464 4.189 18 1HB MET 3 1HB MET 3 7.318 2.059 4.294 19 2HB MET 3 2HB MET 3 8.228 2.605 5.687 20 1HG MET 3 1HG MET 3 7.486 4.359 3.359 21 2HG MET 3 2HG MET 3 6.531 4.214 4.831 22 1HE MET 3 1HE MET 3 7.389 4.868 7.200 23 2HE MET 3 2HE MET 3 8.967 4.084 7.107 24 3HE MET 3 3HE MET 3 8.854 5.793 7.531 25 H SER 4 H SER 4 11.119 2.139 2.087 26 HA SER 4 HA SER 4 9.745 3.133 -0.160 27 1HB SER 4 1HB SER 4 12.063 1.192 -0.161 28 2HB SER 4 2HB SER 4 11.629 2.327 -1.435 29 HG SER 4 HG SER 4 12.067 4.030 0.136 30 H THR 5 H THR 5 9.069 1.943 -2.053 31 HA THR 5 HA THR 5 7.681 -0.485 -1.282 32 HB THR 5 HB THR 5 6.504 -0.072 -3.498 33 HG1 THR 5 1HG THR 5 7.773 1.282 -4.573 34 1HG2 THR 5 1HG2 THR 5 5.746 2.350 -2.303 35 2HG2 THR 5 2HG2 THR 5 4.940 0.783 -2.212 36 3HG2 THR 5 3HG2 THR 5 6.145 1.230 -1.002 37 H VAL 6 H VAL 6 7.467 -2.191 -2.646 38 HA VAL 6 HA VAL 6 9.535 -2.725 -4.624 39 HB VAL 6 HB VAL 6 10.395 -4.220 -3.145 40 1HG1 VAL 6 1HG1 VAL 6 8.319 -3.277 -1.502 41 2HG1 VAL 6 2HG1 VAL 6 8.300 -5.037 -1.388 42 3HG1 VAL 6 3HG1 VAL 6 9.774 -4.146 -1.018 43 1HG2 VAL 6 1HG2 VAL 6 8.011 -5.543 -4.222 44 2HG2 VAL 6 2HG2 VAL 6 9.701 -6.045 -4.250 45 3HG2 VAL 6 3HG2 VAL 6 8.728 -6.308 -2.803 46 H GLY 7 H GLY 7 8.528 -4.484 -6.174 47 1HA GLY 7 1HA GLY 7 6.598 -5.227 -7.323 48 2HA GLY 7 2HA GLY 7 5.730 -4.947 -5.852 49 H GLY 8 H GLY 8 3.974 -4.007 -6.692 50 1HA GLY 8 1HA GLY 8 2.636 -2.440 -7.725 51 2HA GLY 8 2HA GLY 8 3.582 -1.383 -6.709 52 H ASN 9 H ASN 9 3.533 0.379 -7.968 53 HA ASN 9 HA ASN 9 5.231 0.373 -10.320 54 1HB ASN 9 1HB ASN 9 3.589 1.551 -11.728 55 2HB ASN 9 2HB ASN 9 3.064 -0.067 -11.320 56 1HD2 ASN 9 1HD2 ASN 9 0.960 2.204 -8.862 57 2HD2 ASN 9 2HD2 ASN 9 2.594 1.690 -8.624 58 H SER 10 H SER 10 5.360 1.450 -7.632 59 HA SER 10 HA SER 10 4.964 4.295 -7.859 60 1HB SER 10 1HB SER 10 6.515 3.841 -5.611 61 2HB SER 10 2HB SER 10 4.757 3.927 -5.647 62 HG SER 10 HG SER 10 5.924 1.943 -4.751 63 H GLY 11 H GLY 11 7.839 2.264 -7.233 64 1HA GLY 11 1HA GLY 11 9.856 2.526 -8.549 65 2HA GLY 11 2HA GLY 11 9.427 4.217 -8.774 66 H GLY 12 H GLY 12 9.508 2.246 -5.818 67 1HA GLY 12 1HA GLY 12 10.925 2.377 -3.985 68 2HA GLY 12 2HA GLY 12 11.890 3.566 -4.846 69 H ALA 13 H ALA 13 8.421 3.855 -4.333 70 HA ALA 13 HA ALA 13 8.890 6.355 -2.908 71 1HB ALA 13 1HB ALA 13 7.204 6.049 -4.821 72 2HB ALA 13 2HB ALA 13 6.198 5.238 -3.619 73 3HB ALA 13 3HB ALA 13 6.670 6.920 -3.383 74 HA PRO 14 HA PRO 14 7.895 4.485 0.971 75 1HB PRO 14 1HB PRO 14 7.294 6.672 2.444 76 2HB PRO 14 2HB PRO 14 8.942 6.287 1.940 77 1HG PRO 14 1HG PRO 14 7.076 8.338 0.891 78 2HG PRO 14 2HG PRO 14 8.844 8.356 0.955 79 1HD PRO 14 1HD PRO 14 7.266 7.783 -1.296 80 2HD PRO 14 2HD PRO 14 9.007 7.491 -1.131 81 H CYS 15 H CYS 15 6.129 3.417 1.609 82 HA CYS 15 HA CYS 15 3.546 3.988 0.640 83 1HB CYS 15 1HB CYS 15 4.440 2.221 2.937 84 2HB CYS 15 2HB CYS 15 2.786 2.278 2.333 85 H VAL 16 H VAL 16 2.028 5.361 1.348 86 HA VAL 16 HA VAL 16 2.542 6.911 3.758 87 HB VAL 16 HB VAL 16 0.421 7.264 1.631 88 1HG1 VAL 16 1HG1 VAL 16 1.054 8.752 4.124 89 2HG1 VAL 16 2HG1 VAL 16 0.614 9.689 2.695 90 3HG1 VAL 16 3HG1 VAL 16 -0.497 8.478 3.330 91 1HG2 VAL 16 1HG2 VAL 16 2.938 7.542 1.074 92 2HG2 VAL 16 2HG2 VAL 16 1.794 8.785 0.568 93 3HG2 VAL 16 3HG2 VAL 16 2.796 9.037 1.998 94 H PHE 17 H PHE 17 1.579 6.534 5.632 95 HA PHE 17 HA PHE 17 -0.959 5.060 5.646 96 1HB PHE 17 1HB PHE 17 1.273 5.048 7.679 97 2HB PHE 17 2HB PHE 17 -0.281 4.276 7.900 98 HD1 PHE 17 1HD PHE 17 -0.921 2.658 5.814 99 HD2 PHE 17 2HD PHE 17 2.973 3.740 7.108 100 HE1 PHE 17 1HE PHE 17 -0.012 0.632 4.765 101 HE2 PHE 17 2HE PHE 17 3.906 1.720 6.060 102 HZ PHE 17 HZ PHE 17 2.428 0.140 4.874 103 HA PRO 18 HA PRO 18 -2.484 4.602 6.902 104 1HB PRO 18 1HB PRO 18 -5.072 5.760 7.242 105 2HB PRO 18 2HB PRO 18 -4.205 4.716 8.371 106 1HG PRO 18 1HG PRO 18 -4.804 7.389 8.818 107 2HG PRO 18 2HG PRO 18 -3.537 6.476 9.656 108 1HD PRO 18 1HD PRO 18 -3.308 8.369 7.347 109 2HD PRO 18 2HD PRO 18 -2.221 8.145 8.738 110 H PHE 19 H PHE 19 -3.060 3.855 4.921 111 HA PHE 19 HA PHE 19 -4.042 5.875 3.012 112 1HB PHE 19 1HB PHE 19 -3.249 4.527 1.203 113 2HB PHE 19 2HB PHE 19 -1.929 4.733 2.348 114 HD1 PHE 19 1HD PHE 19 -1.424 2.796 3.939 115 HD2 PHE 19 2HD PHE 19 -3.910 2.410 0.509 116 HE1 PHE 19 1HE PHE 19 -1.088 0.359 3.969 117 HE2 PHE 19 2HE PHE 19 -3.578 -0.024 0.531 118 HZ PHE 19 HZ PHE 19 -2.157 -1.056 2.263 119 H THR 20 H THR 20 -6.046 5.709 2.276 120 HA THR 20 HA THR 20 -7.630 3.467 3.250 121 HB THR 20 HB THR 20 -8.546 5.930 1.726 122 HG1 THR 20 1HG THR 20 -7.426 6.333 3.778 123 1HG2 THR 20 1HG2 THR 20 -10.485 5.193 3.546 124 2HG2 THR 20 2HG2 THR 20 -10.537 4.980 1.796 125 3HG2 THR 20 3HG2 THR 20 -9.956 3.671 2.827 126 H PHE 21 H PHE 21 -8.126 1.787 2.098 127 HA PHE 21 HA PHE 21 -7.961 1.984 -0.838 128 1HB PHE 21 1HB PHE 21 -6.258 0.455 0.228 129 2HB PHE 21 2HB PHE 21 -7.597 -0.495 0.836 130 HD1 PHE 21 1HD PHE 21 -5.965 0.633 -2.284 131 HD2 PHE 21 2HD PHE 21 -8.712 -2.102 -0.528 132 HE1 PHE 21 1HE PHE 21 -5.932 -0.707 -4.334 133 HE2 PHE 21 2HE PHE 21 -8.676 -3.438 -2.584 134 HZ PHE 21 HZ PHE 21 -7.291 -2.751 -4.488 135 H LEU 22 H LEU 22 -9.685 1.455 -1.912 136 HA LEU 22 HA LEU 22 -11.891 1.237 -2.282 137 1HB LEU 22 1HB LEU 22 -10.554 -1.225 -1.395 138 2HB LEU 22 2HB LEU 22 -12.234 -1.315 -1.890 139 HG LEU 22 HG LEU 22 -10.594 -1.833 -3.685 140 1HD1 LEU 22 1HD1 LEU 22 -12.357 0.537 -4.002 141 2HD1 LEU 22 2HD1 LEU 22 -11.647 -0.370 -5.338 142 3HD1 LEU 22 3HD1 LEU 22 -12.786 -1.157 -4.244 143 1HD2 LEU 22 1HD2 LEU 22 -9.053 0.088 -2.880 144 2HD2 LEU 22 2HD2 LEU 22 -9.156 -0.325 -4.592 145 3HD2 LEU 22 3HD2 LEU 22 -10.053 1.058 -3.961 146 H GLY 23 H GLY 23 -11.792 2.555 0.036 147 1HA GLY 23 1HA GLY 23 -13.603 3.169 1.424 148 2HA GLY 23 2HA GLY 23 -14.181 1.520 1.362 149 H ASN 24 H ASN 24 -11.138 0.793 2.193 150 HA ASN 24 HA ASN 24 -11.759 1.231 5.040 151 1HB ASN 24 1HB ASN 24 -10.095 -0.933 3.760 152 2HB ASN 24 2HB ASN 24 -10.489 -0.797 5.468 153 1HD2 ASN 24 1HD2 ASN 24 -12.937 -2.664 2.970 154 2HD2 ASN 24 2HD2 ASN 24 -11.337 -2.154 2.577 155 H LYS 25 H LYS 25 -10.302 2.194 6.361 156 HA LYS 25 HA LYS 25 -8.040 3.511 5.218 157 1HB LYS 25 1HB LYS 25 -8.756 3.326 8.138 158 2HB LYS 25 2HB LYS 25 -7.961 4.621 7.282 159 1HG LYS 25 1HG LYS 25 -9.969 5.317 6.232 160 2HG LYS 25 2HG LYS 25 -10.812 3.872 6.791 161 1HD LYS 25 1HD LYS 25 -10.478 4.633 9.125 162 2HD LYS 25 2HD LYS 25 -9.761 6.119 8.506 163 1HE LYS 25 1HE LYS 25 -12.559 5.160 7.945 164 2HE LYS 25 2HE LYS 25 -12.117 6.420 9.098 165 1HZ LYS 25 1HZ LYS 25 -10.976 7.410 6.945 166 2HZ LYS 25 2HZ LYS 25 -12.189 6.511 6.165 167 3HZ LYS 25 3HZ LYS 25 -12.608 7.698 7.306 168 H TYR 26 H TYR 26 -6.027 2.600 5.085 169 HA TYR 26 HA TYR 26 -5.475 0.294 6.821 170 1HB TYR 26 1HB TYR 26 -4.264 1.094 4.174 171 2HB TYR 26 2HB TYR 26 -3.801 -0.318 5.114 172 HD1 TYR 26 1HD TYR 26 -7.054 -0.390 5.817 173 HD2 TYR 26 2HD TYR 26 -4.566 -0.699 2.396 174 HE1 TYR 26 1HE TYR 26 -8.772 -1.717 4.691 175 HE2 TYR 26 2HE TYR 26 -6.269 -2.037 1.262 176 HH TYR 26 HH TYR 26 -8.456 -3.659 2.531 177 H GLU 27 H GLU 27 -4.281 0.720 8.448 178 HA GLU 27 HA GLU 27 -2.409 2.940 8.459 179 1HB GLU 27 1HB GLU 27 -3.267 1.024 10.621 180 2HB GLU 27 2HB GLU 27 -2.235 2.413 10.855 181 1HG GLU 27 1HG GLU 27 -4.038 3.905 10.233 182 2HG GLU 27 2HG GLU 27 -5.078 2.523 9.889 183 H SER 28 H SER 28 -2.452 -0.396 7.969 184 HA SER 28 HA SER 28 0.473 -0.482 8.093 185 1HB SER 28 1HB SER 28 0.070 -2.979 8.594 186 2HB SER 28 2HB SER 28 -0.178 -1.842 9.915 187 HG SER 28 HG SER 28 -2.375 -2.411 8.286 188 H CYS 29 H CYS 29 0.969 -2.810 6.787 189 HA CYS 29 HA CYS 29 0.203 -2.165 4.134 190 1HB CYS 29 1HB CYS 29 1.536 -4.637 5.227 191 2HB CYS 29 2HB CYS 29 1.350 -4.279 3.523 192 H THR 30 H THR 30 -0.732 -3.927 2.689 193 HA THR 30 HA THR 30 -2.810 -5.502 4.006 194 HB THR 30 HB THR 30 -3.835 -3.257 3.533 195 HG1 THR 30 1HG THR 30 -5.296 -4.871 3.433 196 1HG2 THR 30 1HG2 THR 30 -3.684 -3.841 0.618 197 2HG2 THR 30 2HG2 THR 30 -3.986 -2.315 1.452 198 3HG2 THR 30 3HG2 THR 30 -2.357 -2.990 1.406 199 H SER 31 H SER 31 -4.076 -6.673 2.237 200 HA SER 31 HA SER 31 -2.350 -7.390 -0.018 201 1HB SER 31 1HB SER 31 -3.164 -9.786 0.343 202 2HB SER 31 2HB SER 31 -2.007 -9.172 1.535 203 HG SER 31 HG SER 31 -3.756 -8.766 2.936 204 H ALA 32 H ALA 32 -4.659 -5.666 0.535 205 HA ALA 32 HA ALA 32 -7.034 -6.732 -0.563 206 1HB ALA 32 1HB ALA 32 -6.074 -4.218 0.522 207 2HB ALA 32 2HB ALA 32 -7.089 -3.947 -0.892 208 3HB ALA 32 3HB ALA 32 -7.718 -4.859 0.482 209 H GLY 33 H GLY 33 -7.820 -6.799 -2.558 210 1HA GLY 33 1HA GLY 33 -7.998 -6.425 -4.827 211 2HA GLY 33 2HA GLY 33 -6.728 -5.219 -4.693 212 H ARG 34 H ARG 34 -5.677 -8.086 -3.280 213 HA ARG 34 HA ARG 34 -4.242 -8.729 -5.767 214 1HB ARG 34 1HB ARG 34 -3.473 -9.373 -2.920 215 2HB ARG 34 2HB ARG 34 -2.531 -9.721 -4.355 216 1HG ARG 34 1HG ARG 34 -2.909 -7.062 -4.651 217 2HG ARG 34 2HG ARG 34 -2.864 -7.205 -2.888 218 1HD ARG 34 1HD ARG 34 -0.645 -6.801 -4.024 219 2HD ARG 34 2HD ARG 34 -0.706 -8.187 -2.930 220 HE ARG 34 HE ARG 34 -0.300 -9.563 -4.716 221 1HH1 ARG 34 1HH1 ARG 34 -1.362 -6.454 -5.950 222 2HH1 ARG 34 2HH1 ARG 34 -1.137 -6.903 -7.614 223 1HH2 ARG 34 1HH2 ARG 34 -0.011 -10.141 -6.904 224 2HH2 ARG 34 2HH2 ARG 34 -0.333 -8.972 -8.149 225 H SER 35 H SER 35 -3.945 -10.863 -6.404 226 HA SER 35 HA SER 35 -5.980 -12.693 -5.333 227 1HB SER 35 1HB SER 35 -6.002 -11.948 -7.797 228 2HB SER 35 2HB SER 35 -4.586 -12.983 -7.995 229 HG SER 35 HG SER 35 -7.094 -13.852 -6.954 230 H ASP 36 H ASP 36 -2.673 -12.159 -5.224 231 HA ASP 36 HA ASP 36 -2.059 -15.013 -5.029 232 1HB ASP 36 1HB ASP 36 0.362 -13.993 -4.767 233 2HB ASP 36 2HB ASP 36 -0.370 -14.207 -6.349 234 H GLY 37 H GLY 37 -0.391 -12.468 -3.382 235 1HA GLY 37 1HA GLY 37 -1.535 -12.623 -0.886 236 2HA GLY 37 2HA GLY 37 -0.352 -13.914 -0.937 237 H LYS 38 H LYS 38 0.910 -11.588 -2.908 238 HA LYS 38 HA LYS 38 2.878 -10.827 -1.009 239 1HB LYS 38 1HB LYS 38 2.406 -9.161 -3.426 240 2HB LYS 38 2HB LYS 38 3.917 -9.761 -2.761 241 1HG LYS 38 1HG LYS 38 1.908 -11.400 -4.287 242 2HG LYS 38 2HG LYS 38 3.378 -10.723 -4.941 243 1HD LYS 38 1HD LYS 38 4.687 -12.036 -3.301 244 2HD LYS 38 2HD LYS 38 3.187 -12.790 -2.764 245 1HE LYS 38 1HE LYS 38 4.460 -14.171 -4.383 246 2HE LYS 38 2HE LYS 38 2.831 -13.774 -4.936 247 1HZ LYS 38 1HZ LYS 38 5.212 -12.192 -5.730 248 2HZ LYS 38 2HZ LYS 38 4.667 -13.533 -6.621 249 3HZ LYS 38 3HZ LYS 38 3.660 -12.181 -6.430 250 H MET 39 H MET 39 2.218 -9.577 0.720 251 HA MET 39 HA MET 39 0.097 -7.722 0.538 252 1HB MET 39 1HB MET 39 2.315 -7.692 2.595 253 2HB MET 39 2HB MET 39 0.688 -7.043 2.756 254 1HG MET 39 1HG MET 39 -0.256 -9.259 2.734 255 2HG MET 39 2HG MET 39 1.332 -9.962 2.430 256 1HE MET 39 1HE MET 39 3.306 -9.490 3.855 257 2HE MET 39 2HE MET 39 3.155 -8.103 4.933 258 3HE MET 39 3HE MET 39 3.243 -9.733 5.600 259 H TRP 40 H TRP 40 0.099 -5.517 0.375 260 HA TRP 40 HA TRP 40 2.614 -4.204 -0.416 261 1HB TRP 40 1HB TRP 40 1.358 -3.026 -2.200 262 2HB TRP 40 2HB TRP 40 1.378 -4.768 -2.467 263 HD1 TRP 40 HD1 TRP 40 -0.995 -6.059 -1.584 264 HE1 TRP 40 1HE TRP 40 -3.419 -5.215 -1.716 265 HE3 TRP 40 3HE TRP 40 -0.084 -1.110 -2.325 266 HZ2 TRP 40 2HZ TRP 40 -4.761 -2.770 -2.053 267 HZ3 TRP 40 3HZ TRP 40 -1.982 0.425 -2.514 268 HH2 TRP 40 HH2 TRP 40 -4.278 -0.389 -2.393 269 H CYS 41 H CYS 41 1.676 -1.720 -0.901 270 HA CYS 41 HA CYS 41 -0.180 -0.748 1.032 271 1HB CYS 41 1HB CYS 41 1.644 0.799 2.078 272 2HB CYS 41 2HB CYS 41 1.430 -0.834 2.703 273 H ALA 42 H ALA 42 -0.814 1.383 0.556 274 HA ALA 42 HA ALA 42 -0.173 2.207 -2.105 275 1HB ALA 42 1HB ALA 42 -2.414 2.519 -1.055 276 2HB ALA 42 2HB ALA 42 -1.708 3.806 -0.077 277 3HB ALA 42 3HB ALA 42 -1.752 3.957 -1.835 278 H THR 43 H THR 43 0.594 4.271 -2.722 279 HA THR 43 HA THR 43 2.674 5.232 -0.889 280 HB THR 43 HB THR 43 3.849 5.945 -2.903 281 HG1 THR 43 1HG THR 43 2.952 5.652 -4.920 282 1HG2 THR 43 1HG2 THR 43 3.972 3.697 -4.088 283 2HG2 THR 43 2HG2 THR 43 4.356 3.719 -2.366 284 3HG2 THR 43 3HG2 THR 43 2.780 3.145 -2.910 285 H THR 44 H THR 44 -0.309 5.898 -1.470 286 HA THR 44 HA THR 44 0.024 8.803 -1.256 287 HB THR 44 HB THR 44 -2.125 9.038 -2.526 288 HG1 THR 44 1HG THR 44 -3.185 7.319 -3.011 289 1HG2 THR 44 1HG2 THR 44 -1.250 8.655 -4.756 290 2HG2 THR 44 2HG2 THR 44 -0.035 9.400 -3.716 291 3HG2 THR 44 3HG2 THR 44 0.056 7.678 -4.085 292 H ALA 45 H ALA 45 -1.567 9.820 0.080 293 HA ALA 45 HA ALA 45 -2.310 8.387 2.362 294 1HB ALA 45 1HB ALA 45 -2.087 10.917 2.064 295 2HB ALA 45 2HB ALA 45 -3.754 10.871 1.481 296 3HB ALA 45 3HB ALA 45 -3.372 10.331 3.117 297 H ASN 46 H ASN 46 -4.116 9.097 -0.565 298 HA ASN 46 HA ASN 46 -6.184 7.223 0.351 299 1HB ASN 46 1HB ASN 46 -7.038 9.582 0.270 300 2HB ASN 46 2HB ASN 46 -6.688 9.606 -1.456 301 1HD2 ASN 46 1HD2 ASN 46 -10.085 8.090 -0.069 302 2HD2 ASN 46 2HD2 ASN 46 -8.950 8.969 0.884 303 H TYR 47 H TYR 47 -6.034 5.449 -0.781 304 HA TYR 47 HA TYR 47 -4.625 5.394 -3.282 305 1HB TYR 47 1HB TYR 47 -4.391 3.602 -1.583 306 2HB TYR 47 2HB TYR 47 -6.065 3.145 -1.870 307 HD1 TYR 47 1HD TYR 47 -6.696 2.263 -4.171 308 HD2 TYR 47 2HD TYR 47 -2.668 2.822 -2.953 309 HE1 TYR 47 1HE TYR 47 -5.949 0.741 -5.953 310 HE2 TYR 47 2HE TYR 47 -1.911 1.307 -4.723 311 HH TYR 47 HH TYR 47 -3.571 -0.830 -6.168 312 H ASP 48 H ASP 48 -7.989 5.274 -2.298 313 HA ASP 48 HA ASP 48 -9.166 4.174 -4.537 314 1HB ASP 48 1HB ASP 48 -10.100 6.284 -2.623 315 2HB ASP 48 2HB ASP 48 -11.105 5.790 -3.977 316 H ASP 49 H ASP 49 -7.952 7.429 -4.088 317 HA ASP 49 HA ASP 49 -9.012 8.349 -6.601 318 1HB ASP 49 1HB ASP 49 -7.256 9.634 -4.518 319 2HB ASP 49 2HB ASP 49 -7.697 10.433 -6.023 320 H ASP 50 H ASP 50 -5.638 8.383 -5.371 321 HA ASP 50 HA ASP 50 -4.581 8.650 -7.997 322 1HB ASP 50 1HB ASP 50 -3.297 8.170 -5.329 323 2HB ASP 50 2HB ASP 50 -2.355 8.251 -6.815 324 H ARG 51 H ARG 51 -5.173 5.854 -6.019 325 HA ARG 51 HA ARG 51 -4.707 3.667 -6.233 326 1HB ARG 51 1HB ARG 51 -5.179 4.334 -9.116 327 2HB ARG 51 2HB ARG 51 -5.308 2.729 -8.395 328 1HG ARG 51 1HG ARG 51 -6.824 4.301 -6.748 329 2HG ARG 51 2HG ARG 51 -7.189 4.942 -8.354 330 1HD ARG 51 1HD ARG 51 -7.335 2.060 -7.542 331 2HD ARG 51 2HD ARG 51 -8.710 3.161 -7.616 332 HE ARG 51 HE ARG 51 -7.382 3.151 -10.101 333 1HH1 ARG 51 1HH1 ARG 51 -9.403 1.126 -8.112 334 2HH1 ARG 51 2HH1 ARG 51 -10.079 0.255 -9.452 335 1HH2 ARG 51 1HH2 ARG 51 -8.237 2.020 -11.865 336 2HH2 ARG 51 2HH2 ARG 51 -9.414 0.762 -11.600 337 H LYS 52 H LYS 52 -2.368 4.861 -5.863 338 HA LYS 52 HA LYS 52 -0.555 3.486 -7.721 339 1HB LYS 52 1HB LYS 52 -0.114 5.959 -6.032 340 2HB LYS 52 2HB LYS 52 1.208 5.064 -6.770 341 1HG LYS 52 1HG LYS 52 0.529 5.608 -8.936 342 2HG LYS 52 2HG LYS 52 -1.076 6.100 -8.403 343 1HD LYS 52 1HD LYS 52 0.005 7.973 -7.146 344 2HD LYS 52 2HD LYS 52 1.536 7.511 -7.890 345 1HE LYS 52 1HE LYS 52 0.598 7.901 -10.104 346 2HE LYS 52 2HE LYS 52 -0.953 8.322 -9.377 347 1HZ LYS 52 1HZ LYS 52 1.317 9.834 -8.396 348 2HZ LYS 52 2HZ LYS 52 0.926 10.102 -10.028 349 3HZ LYS 52 3HZ LYS 52 -0.239 10.359 -8.818 350 H TRP 53 H TRP 53 0.389 1.768 -6.920 351 HA TRP 53 HA TRP 53 0.584 1.520 -3.997 352 1HB TRP 53 1HB TRP 53 -0.203 -0.739 -4.165 353 2HB TRP 53 2HB TRP 53 -1.335 0.292 -4.947 354 HD1 TRP 53 HD1 TRP 53 -0.931 0.402 -7.827 355 HE1 TRP 53 1HE TRP 53 -0.403 -1.619 -9.345 356 HE3 TRP 53 3HE TRP 53 0.728 -2.722 -4.266 357 HZ2 TRP 53 2HZ TRP 53 0.614 -4.271 -9.007 358 HZ3 TRP 53 3HZ TRP 53 1.489 -5.007 -4.888 359 HH2 TRP 53 HH2 TRP 53 1.428 -5.755 -7.221 360 H GLY 54 H GLY 54 1.786 -0.460 -3.389 361 1HA GLY 54 1HA GLY 54 3.879 -1.481 -5.022 362 2HA GLY 54 2HA GLY 54 4.481 -0.261 -3.898 363 H PHE 55 H PHE 55 4.742 -3.282 -4.071 364 HA PHE 55 HA PHE 55 3.387 -4.549 -2.029 365 1HB PHE 55 1HB PHE 55 6.114 -5.000 -3.219 366 2HB PHE 55 2HB PHE 55 5.457 -6.043 -1.968 367 HD1 PHE 55 1HD PHE 55 2.569 -5.913 -2.972 368 HD2 PHE 55 2HD PHE 55 6.268 -6.649 -4.939 369 HE1 PHE 55 1HE PHE 55 1.401 -7.331 -4.613 370 HE2 PHE 55 2HE PHE 55 5.103 -8.055 -6.599 371 HZ PHE 55 HZ PHE 55 2.674 -8.391 -6.440 372 H CYS 56 H CYS 56 3.971 -5.125 0.060 373 HA CYS 56 HA CYS 56 4.952 -3.010 1.657 374 1HB CYS 56 1HB CYS 56 3.206 -4.738 2.300 375 2HB CYS 56 2HB CYS 56 4.528 -5.882 2.491 376 HA PRO 57 HA PRO 57 9.248 -4.121 1.526 377 1HB PRO 57 1HB PRO 57 10.220 -2.436 3.323 378 2HB PRO 57 2HB PRO 57 9.568 -1.836 1.785 379 1HG PRO 57 1HG PRO 57 8.200 -2.106 4.429 380 2HG PRO 57 2HG PRO 57 8.304 -0.652 3.415 381 1HD PRO 57 1HD PRO 57 6.139 -2.237 3.375 382 2HD PRO 57 2HD PRO 57 6.755 -1.502 1.876 383 H ASP 58 H ASP 58 7.168 -4.941 3.700 384 HA ASP 58 HA ASP 58 9.084 -6.414 5.382 385 1HB ASP 58 1HB ASP 58 7.894 -4.547 6.606 386 2HB ASP 58 2HB ASP 58 6.387 -5.406 6.314 387 H GLN 59 H GLN 59 8.776 -8.032 3.667 388 HA GLN 59 HA GLN 59 6.230 -9.492 3.924 389 1HB GLN 59 1HB GLN 59 8.230 -9.536 1.657 390 2HB GLN 59 2HB GLN 59 6.782 -10.528 1.740 391 1HG GLN 59 1HG GLN 59 5.414 -8.515 1.722 392 2HG GLN 59 2HG GLN 59 6.873 -7.525 1.630 393 1HE2 GLN 59 1HE2 GLN 59 5.178 -8.709 -1.699 394 2HE2 GLN 59 2HE2 GLN 59 4.428 -8.596 -0.147 395 H GLY 60 H GLY 60 9.702 -9.704 4.110 396 1HA GLY 60 1HA GLY 60 9.871 -11.720 5.928 397 2HA GLY 60 2HA GLY 60 9.768 -12.563 4.392 Start of MODEL 43 1 H SER 1 1H SER 1 12.357 5.909 -1.912 2 HA SER 1 HA SER 1 14.640 5.537 -1.115 3 1HB SER 1 1HB SER 1 13.288 7.581 -0.698 4 2HB SER 1 2HB SER 1 12.649 6.834 0.768 5 HG SER 1 HG SER 1 14.440 7.273 1.789 6 H TRP 2 H TRP 2 15.205 3.417 -0.563 7 HA TRP 2 HA TRP 2 15.767 1.684 0.773 8 1HB TRP 2 1HB TRP 2 15.394 3.715 2.989 9 2HB TRP 2 2HB TRP 2 16.239 2.175 3.141 10 HD1 TRP 2 HD1 TRP 2 16.567 5.524 1.209 11 HE1 TRP 2 1HE TRP 2 19.066 5.923 0.736 12 HE3 TRP 2 3HE TRP 2 18.437 1.145 3.088 13 HZ2 TRP 2 2HZ TRP 2 21.505 4.561 1.140 14 HZ3 TRP 2 3HZ TRP 2 20.872 0.777 3.013 15 HH2 TRP 2 HH2 TRP 2 22.371 2.455 2.057 16 H MET 3 H MET 3 13.813 2.924 3.375 17 HA MET 3 HA MET 3 12.261 0.515 3.431 18 1HB MET 3 1HB MET 3 11.173 1.606 5.419 19 2HB MET 3 2HB MET 3 12.909 1.395 5.559 20 1HG MET 3 1HG MET 3 13.301 3.716 5.210 21 2HG MET 3 2HG MET 3 11.635 3.982 4.698 22 1HE MET 3 1HE MET 3 12.935 5.841 6.498 23 2HE MET 3 2HE MET 3 11.187 6.056 6.576 24 3HE MET 3 3HE MET 3 12.129 5.952 8.064 25 H SER 4 H SER 4 11.431 0.989 1.212 26 HA SER 4 HA SER 4 8.883 2.419 1.440 27 1HB SER 4 1HB SER 4 10.768 2.655 -0.912 28 2HB SER 4 2HB SER 4 9.192 3.433 -0.755 29 HG SER 4 HG SER 4 10.503 4.105 1.399 30 H THR 5 H THR 5 8.013 2.020 -1.142 31 HA THR 5 HA THR 5 7.097 -0.646 -1.020 32 HB THR 5 HB THR 5 6.047 -0.099 -3.218 33 HG1 THR 5 1HG THR 5 6.937 2.541 -2.929 34 1HG2 THR 5 1HG2 THR 5 5.397 2.331 -1.789 35 2HG2 THR 5 2HG2 THR 5 4.389 0.935 -2.174 36 3HG2 THR 5 3HG2 THR 5 5.419 0.911 -0.742 37 H VAL 6 H VAL 6 7.216 -2.208 -2.726 38 HA VAL 6 HA VAL 6 9.753 -2.285 -4.121 39 HB VAL 6 HB VAL 6 10.275 -4.004 -2.793 40 1HG1 VAL 6 1HG1 VAL 6 7.384 -4.295 -2.093 41 2HG1 VAL 6 2HG1 VAL 6 8.686 -5.251 -1.390 42 3HG1 VAL 6 3HG1 VAL 6 8.640 -3.506 -1.140 43 1HG2 VAL 6 1HG2 VAL 6 9.161 -5.041 -5.015 44 2HG2 VAL 6 2HG2 VAL 6 9.976 -5.996 -3.776 45 3HG2 VAL 6 3HG2 VAL 6 8.221 -5.844 -3.756 46 H GLY 7 H GLY 7 6.752 -3.599 -3.839 47 1HA GLY 7 1HA GLY 7 6.387 -4.342 -6.589 48 2HA GLY 7 2HA GLY 7 5.226 -4.566 -5.308 49 H GLY 8 H GLY 8 3.713 -3.803 -7.003 50 1HA GLY 8 1HA GLY 8 2.200 -2.140 -7.512 51 2HA GLY 8 2HA GLY 8 3.124 -1.048 -6.504 52 H ASN 9 H ASN 9 2.291 0.286 -8.419 53 HA ASN 9 HA ASN 9 4.141 0.098 -10.673 54 1HB ASN 9 1HB ASN 9 2.662 1.719 -11.818 55 2HB ASN 9 2HB ASN 9 1.843 0.240 -11.362 56 1HD2 ASN 9 1HD2 ASN 9 0.697 2.774 -8.580 57 2HD2 ASN 9 2HD2 ASN 9 2.204 1.932 -8.614 58 H SER 10 H SER 10 3.901 1.685 -7.759 59 HA SER 10 HA SER 10 4.956 4.223 -8.567 60 1HB SER 10 1HB SER 10 5.044 2.983 -5.807 61 2HB SER 10 2HB SER 10 5.125 4.686 -6.219 62 HG SER 10 HG SER 10 3.017 3.971 -5.498 63 H GLY 11 H GLY 11 6.334 1.532 -6.666 64 1HA GLY 11 1HA GLY 11 8.442 0.639 -6.600 65 2HA GLY 11 2HA GLY 11 8.712 1.361 -8.174 66 H GLY 12 H GLY 12 9.001 1.791 -4.717 67 1HA GLY 12 1HA GLY 12 11.053 2.803 -3.920 68 2HA GLY 12 2HA GLY 12 10.980 3.901 -5.289 69 H ALA 13 H ALA 13 7.985 4.227 -4.741 70 HA ALA 13 HA ALA 13 8.290 6.501 -3.019 71 1HB ALA 13 1HB ALA 13 6.492 5.756 -4.987 72 2HB ALA 13 2HB ALA 13 5.541 5.720 -3.503 73 3HB ALA 13 3HB ALA 13 6.396 7.192 -3.970 74 HA PRO 14 HA PRO 14 7.304 4.384 0.727 75 1HB PRO 14 1HB PRO 14 6.784 6.540 2.311 76 2HB PRO 14 2HB PRO 14 8.411 6.051 1.834 77 1HG PRO 14 1HG PRO 14 6.773 8.320 0.897 78 2HG PRO 14 2HG PRO 14 8.534 8.127 0.907 79 1HD PRO 14 1HD PRO 14 6.788 7.842 -1.302 80 2HD PRO 14 2HD PRO 14 8.515 7.445 -1.248 81 H CYS 15 H CYS 15 5.527 3.703 1.950 82 HA CYS 15 HA CYS 15 2.955 4.317 0.792 83 1HB CYS 15 1HB CYS 15 3.755 2.483 3.068 84 2HB CYS 15 2HB CYS 15 2.114 2.626 2.440 85 H VAL 16 H VAL 16 1.301 5.464 1.697 86 HA VAL 16 HA VAL 16 1.970 7.116 4.022 87 HB VAL 16 HB VAL 16 -0.225 7.419 1.957 88 1HG1 VAL 16 1HG1 VAL 16 -0.636 8.344 4.323 89 2HG1 VAL 16 2HG1 VAL 16 0.584 9.547 3.899 90 3HG1 VAL 16 3HG1 VAL 16 -0.891 9.412 2.941 91 1HG2 VAL 16 1HG2 VAL 16 2.552 8.303 2.079 92 2HG2 VAL 16 2HG2 VAL 16 1.455 8.187 0.704 93 3HG2 VAL 16 3HG2 VAL 16 1.405 9.605 1.753 94 H PHE 17 H PHE 17 1.049 6.727 5.937 95 HA PHE 17 HA PHE 17 -1.427 5.160 6.001 96 1HB PHE 17 1HB PHE 17 0.964 4.991 7.827 97 2HB PHE 17 2HB PHE 17 -0.584 4.251 8.176 98 HD1 PHE 17 1HD PHE 17 -1.489 2.836 5.972 99 HD2 PHE 17 2HD PHE 17 2.542 3.577 7.099 100 HE1 PHE 17 1HE PHE 17 -0.782 0.850 4.725 101 HE2 PHE 17 2HE PHE 17 3.269 1.585 5.856 102 HZ PHE 17 HZ PHE 17 1.620 0.198 4.646 103 HA PRO 18 HA PRO 18 -2.817 4.596 7.165 104 1HB PRO 18 1HB PRO 18 -5.423 5.395 7.761 105 2HB PRO 18 2HB PRO 18 -4.342 4.504 8.835 106 1HG PRO 18 1HG PRO 18 -5.305 7.164 9.146 107 2HG PRO 18 2HG PRO 18 -4.145 6.310 10.172 108 1HD PRO 18 1HD PRO 18 -3.665 8.322 8.064 109 2HD PRO 18 2HD PRO 18 -2.645 7.867 9.443 110 H PHE 19 H PHE 19 -3.532 4.070 5.151 111 HA PHE 19 HA PHE 19 -4.588 6.313 3.563 112 1HB PHE 19 1HB PHE 19 -3.921 5.169 1.564 113 2HB PHE 19 2HB PHE 19 -2.548 5.209 2.650 114 HD1 PHE 19 1HD PHE 19 -5.011 3.096 0.980 115 HD2 PHE 19 2HD PHE 19 -1.663 3.184 3.608 116 HE1 PHE 19 1HE PHE 19 -4.700 0.686 0.655 117 HE2 PHE 19 2HE PHE 19 -1.361 0.764 3.292 118 HZ PHE 19 HZ PHE 19 -2.871 -0.487 1.813 119 H THR 20 H THR 20 -5.982 4.972 1.616 120 HA THR 20 HA THR 20 -7.839 3.233 3.037 121 HB THR 20 HB THR 20 -8.720 5.818 1.703 122 HG1 THR 20 1HG THR 20 -7.853 5.329 4.206 123 1HG2 THR 20 1HG2 THR 20 -10.550 4.411 3.516 124 2HG2 THR 20 2HG2 THR 20 -10.868 5.281 2.017 125 3HG2 THR 20 3HG2 THR 20 -10.259 3.627 1.961 126 H PHE 21 H PHE 21 -8.412 1.614 1.791 127 HA PHE 21 HA PHE 21 -8.248 1.977 -1.138 128 1HB PHE 21 1HB PHE 21 -6.573 0.372 -0.147 129 2HB PHE 21 2HB PHE 21 -7.922 -0.589 0.409 130 HD1 PHE 21 1HD PHE 21 -6.187 0.617 -2.589 131 HD2 PHE 21 2HD PHE 21 -9.117 -2.063 -1.078 132 HE1 PHE 21 1HE PHE 21 -6.140 -0.602 -4.708 133 HE2 PHE 21 2HE PHE 21 -9.074 -3.290 -3.199 134 HZ PHE 21 HZ PHE 21 -7.598 -2.576 -5.024 135 H LEU 22 H LEU 22 -9.934 1.570 -2.236 136 HA LEU 22 HA LEU 22 -12.135 1.410 -2.672 137 1HB LEU 22 1HB LEU 22 -10.816 -1.142 -2.050 138 2HB LEU 22 2HB LEU 22 -12.479 -1.162 -2.610 139 HG LEU 22 HG LEU 22 -10.801 -1.475 -4.408 140 1HD1 LEU 22 1HD1 LEU 22 -13.018 0.202 -4.292 141 2HD1 LEU 22 2HD1 LEU 22 -11.811 0.971 -5.329 142 3HD1 LEU 22 3HD1 LEU 22 -12.364 -0.668 -5.684 143 1HD2 LEU 22 1HD2 LEU 22 -9.242 0.287 -3.309 144 2HD2 LEU 22 2HD2 LEU 22 -9.287 0.087 -5.061 145 3HD2 LEU 22 3HD2 LEU 22 -10.177 1.408 -4.301 146 H GLY 23 H GLY 23 -12.111 2.409 -0.167 147 1HA GLY 23 1HA GLY 23 -14.084 2.768 1.157 148 2HA GLY 23 2HA GLY 23 -14.475 1.076 0.965 149 H ASN 24 H ASN 24 -11.392 0.606 1.823 150 HA ASN 24 HA ASN 24 -12.076 0.864 4.682 151 1HB ASN 24 1HB ASN 24 -10.195 -1.162 3.481 152 2HB ASN 24 2HB ASN 24 -10.884 -1.146 5.095 153 1HD2 ASN 24 1HD2 ASN 24 -12.690 -3.109 2.196 154 2HD2 ASN 24 2HD2 ASN 24 -11.069 -2.521 2.149 155 H LYS 25 H LYS 25 -10.668 1.837 6.053 156 HA LYS 25 HA LYS 25 -8.404 3.229 4.976 157 1HB LYS 25 1HB LYS 25 -9.479 2.986 7.798 158 2HB LYS 25 2HB LYS 25 -8.311 4.147 7.238 159 1HG LYS 25 1HG LYS 25 -9.883 5.306 5.919 160 2HG LYS 25 2HG LYS 25 -11.053 3.994 6.074 161 1HD LYS 25 1HD LYS 25 -11.895 5.536 7.559 162 2HD LYS 25 2HD LYS 25 -10.904 4.542 8.631 163 1HE LYS 25 1HE LYS 25 -9.919 7.086 7.340 164 2HE LYS 25 2HE LYS 25 -10.723 7.059 8.906 165 1HZ LYS 25 1HZ LYS 25 -8.663 5.144 8.946 166 2HZ LYS 25 2HZ LYS 25 -8.025 6.597 8.339 167 3HZ LYS 25 3HZ LYS 25 -8.797 6.571 9.853 168 H TYR 26 H TYR 26 -6.313 2.444 5.022 169 HA TYR 26 HA TYR 26 -5.838 0.100 6.739 170 1HB TYR 26 1HB TYR 26 -4.471 0.850 4.161 171 2HB TYR 26 2HB TYR 26 -4.150 -0.579 5.130 172 HD1 TYR 26 1HD TYR 26 -7.120 -1.136 5.803 173 HD2 TYR 26 2HD TYR 26 -5.108 -0.285 2.165 174 HE1 TYR 26 1HE TYR 26 -8.827 -2.384 4.565 175 HE2 TYR 26 2HE TYR 26 -6.803 -1.523 0.924 176 HH TYR 26 HH TYR 26 -8.815 -3.682 2.174 177 H GLU 27 H GLU 27 -4.528 0.309 8.282 178 HA GLU 27 HA GLU 27 -2.806 2.637 8.520 179 1HB GLU 27 1HB GLU 27 -3.439 0.467 10.509 180 2HB GLU 27 2HB GLU 27 -2.682 2.004 10.841 181 1HG GLU 27 1HG GLU 27 -4.702 3.186 10.315 182 2HG GLU 27 2HG GLU 27 -5.478 1.691 9.798 183 H SER 28 H SER 28 -2.712 -0.699 7.837 184 HA SER 28 HA SER 28 0.221 -0.634 7.871 185 1HB SER 28 1HB SER 28 0.044 -3.121 8.372 186 2HB SER 28 2HB SER 28 -0.381 -2.049 9.705 187 HG SER 28 HG SER 28 -1.857 -3.947 8.571 188 H CYS 29 H CYS 29 0.781 -2.945 6.509 189 HA CYS 29 HA CYS 29 -0.016 -2.271 3.881 190 1HB CYS 29 1HB CYS 29 1.273 -4.806 4.881 191 2HB CYS 29 2HB CYS 29 1.081 -4.377 3.202 192 H THR 30 H THR 30 -1.096 -3.769 2.421 193 HA THR 30 HA THR 30 -3.177 -5.383 3.714 194 HB THR 30 HB THR 30 -4.106 -3.104 3.276 195 HG1 THR 30 1HG THR 30 -5.455 -4.959 3.063 196 1HG2 THR 30 1HG2 THR 30 -4.579 -2.640 0.791 197 2HG2 THR 30 2HG2 THR 30 -2.989 -2.224 1.434 198 3HG2 THR 30 3HG2 THR 30 -3.201 -3.694 0.483 199 H SER 31 H SER 31 -4.412 -6.606 2.045 200 HA SER 31 HA SER 31 -2.743 -7.284 -0.269 201 1HB SER 31 1HB SER 31 -3.525 -9.664 0.031 202 2HB SER 31 2HB SER 31 -2.445 -9.081 1.309 203 HG SER 31 HG SER 31 -4.193 -10.136 2.252 204 H ALA 32 H ALA 32 -4.986 -5.496 0.319 205 HA ALA 32 HA ALA 32 -7.427 -6.428 -0.700 206 1HB ALA 32 1HB ALA 32 -7.207 -4.387 0.640 207 2HB ALA 32 2HB ALA 32 -6.310 -3.621 -0.670 208 3HB ALA 32 3HB ALA 32 -8.004 -4.051 -0.898 209 H GLY 33 H GLY 33 -8.266 -6.559 -2.695 210 1HA GLY 33 1HA GLY 33 -8.431 -6.339 -4.996 211 2HA GLY 33 2HA GLY 33 -7.023 -5.281 -4.962 212 H ARG 34 H ARG 34 -5.993 -7.800 -3.234 213 HA ARG 34 HA ARG 34 -4.930 -9.177 -5.604 214 1HB ARG 34 1HB ARG 34 -3.744 -9.170 -2.831 215 2HB ARG 34 2HB ARG 34 -2.996 -9.698 -4.321 216 1HG ARG 34 1HG ARG 34 -3.405 -7.169 -5.002 217 2HG ARG 34 2HG ARG 34 -3.362 -6.963 -3.253 218 1HD ARG 34 1HD ARG 34 -1.156 -6.672 -4.301 219 2HD ARG 34 2HD ARG 34 -1.189 -8.004 -3.144 220 HE ARG 34 HE ARG 34 -0.750 -9.462 -4.851 221 1HH1 ARG 34 1HH1 ARG 34 -1.772 -6.397 -6.238 222 2HH1 ARG 34 2HH1 ARG 34 -1.500 -6.919 -7.875 223 1HH2 ARG 34 1HH2 ARG 34 -0.461 -10.143 -7.015 224 2HH2 ARG 34 2HH2 ARG 34 -0.726 -9.015 -8.311 225 H SER 35 H SER 35 -4.386 -11.506 -5.206 226 HA SER 35 HA SER 35 -6.050 -12.827 -3.212 227 1HB SER 35 1HB SER 35 -6.964 -14.371 -5.004 228 2HB SER 35 2HB SER 35 -7.606 -12.728 -5.020 229 HG SER 35 HG SER 35 -6.728 -13.855 -7.074 230 H ASP 36 H ASP 36 -3.133 -12.465 -4.178 231 HA ASP 36 HA ASP 36 -2.407 -15.269 -4.518 232 1HB ASP 36 1HB ASP 36 -0.046 -14.121 -4.719 233 2HB ASP 36 2HB ASP 36 -1.157 -14.150 -6.074 234 H GLY 37 H GLY 37 -0.645 -12.748 -2.946 235 1HA GLY 37 1HA GLY 37 -0.962 -13.475 -0.292 236 2HA GLY 37 2HA GLY 37 0.429 -14.355 -0.911 237 H LYS 38 H LYS 38 0.669 -11.933 -2.821 238 HA LYS 38 HA LYS 38 2.707 -10.565 -1.397 239 1HB LYS 38 1HB LYS 38 1.257 -9.589 -3.867 240 2HB LYS 38 2HB LYS 38 2.884 -9.193 -3.355 241 1HG LYS 38 1HG LYS 38 3.725 -11.255 -3.984 242 2HG LYS 38 2HG LYS 38 2.126 -11.996 -4.061 243 1HD LYS 38 1HD LYS 38 1.634 -10.388 -5.958 244 2HD LYS 38 2HD LYS 38 3.350 -9.984 -5.941 245 1HE LYS 38 1HE LYS 38 2.964 -11.630 -7.639 246 2HE LYS 38 2HE LYS 38 3.877 -12.375 -6.324 247 1HZ LYS 38 1HZ LYS 38 0.934 -12.570 -6.336 248 2HZ LYS 38 2HZ LYS 38 1.827 -13.583 -7.359 249 3HZ LYS 38 3HZ LYS 38 2.081 -13.640 -5.677 250 H MET 39 H MET 39 2.431 -8.956 0.085 251 HA MET 39 HA MET 39 -0.155 -7.592 0.112 252 1HB MET 39 1HB MET 39 2.015 -7.518 2.213 253 2HB MET 39 2HB MET 39 0.366 -6.936 2.353 254 1HG MET 39 1HG MET 39 -0.425 -9.268 2.061 255 2HG MET 39 2HG MET 39 1.260 -9.789 2.137 256 1HE MET 39 1HE MET 39 2.832 -9.119 4.024 257 2HE MET 39 2HE MET 39 2.281 -7.550 4.610 258 3HE MET 39 3HE MET 39 2.348 -8.929 5.708 259 H TRP 40 H TRP 40 -0.234 -5.302 0.231 260 HA TRP 40 HA TRP 40 2.218 -3.882 -0.527 261 1HB TRP 40 1HB TRP 40 1.007 -2.755 -2.356 262 2HB TRP 40 2HB TRP 40 1.074 -4.499 -2.615 263 HD1 TRP 40 HD1 TRP 40 -1.346 -5.855 -1.940 264 HE1 TRP 40 1HE TRP 40 -3.764 -5.005 -2.183 265 HE3 TRP 40 3HE TRP 40 -0.417 -0.865 -2.326 266 HZ2 TRP 40 2HZ TRP 40 -5.095 -2.545 -2.464 267 HZ3 TRP 40 3HZ TRP 40 -2.311 0.679 -2.545 268 HH2 TRP 40 HH2 TRP 40 -4.602 -0.147 -2.618 269 H CYS 41 H CYS 41 1.237 -1.429 -0.997 270 HA CYS 41 HA CYS 41 -0.760 -0.567 0.837 271 1HB CYS 41 1HB CYS 41 0.906 0.977 2.098 272 2HB CYS 41 2HB CYS 41 0.719 -0.690 2.622 273 H ALA 42 H ALA 42 -1.317 1.625 0.569 274 HA ALA 42 HA ALA 42 -0.731 2.621 -2.039 275 1HB ALA 42 1HB ALA 42 -2.849 2.910 -0.406 276 2HB ALA 42 2HB ALA 42 -2.020 4.436 -0.101 277 3HB ALA 42 3HB ALA 42 -2.497 4.005 -1.744 278 H THR 43 H THR 43 0.308 4.522 -2.615 279 HA THR 43 HA THR 43 2.298 5.395 -0.656 280 HB THR 43 HB THR 43 3.578 6.187 -2.593 281 HG1 THR 43 1HG THR 43 2.391 6.687 -4.260 282 1HG2 THR 43 1HG2 THR 43 3.994 4.046 -3.703 283 2HG2 THR 43 2HG2 THR 43 3.891 3.872 -1.951 284 3HG2 THR 43 3HG2 THR 43 2.533 3.388 -2.966 285 H THR 44 H THR 44 -0.640 6.195 -1.360 286 HA THR 44 HA THR 44 -0.215 9.068 -0.979 287 HB THR 44 HB THR 44 -2.273 9.474 -2.339 288 HG1 THR 44 1HG THR 44 -3.403 7.848 -2.975 289 1HG2 THR 44 1HG2 THR 44 -0.918 8.209 -4.470 290 2HG2 THR 44 2HG2 THR 44 -0.917 9.913 -4.018 291 3HG2 THR 44 3HG2 THR 44 0.297 8.823 -3.346 292 H ALA 45 H ALA 45 -2.014 10.107 0.195 293 HA ALA 45 HA ALA 45 -2.786 8.668 2.472 294 1HB ALA 45 1HB ALA 45 -2.721 11.263 1.944 295 2HB ALA 45 2HB ALA 45 -4.441 10.995 1.649 296 3HB ALA 45 3HB ALA 45 -3.742 10.594 3.219 297 H ASN 46 H ASN 46 -4.548 9.310 -0.520 298 HA ASN 46 HA ASN 46 -6.492 7.300 0.352 299 1HB ASN 46 1HB ASN 46 -7.443 9.665 0.295 300 2HB ASN 46 2HB ASN 46 -7.221 9.611 -1.451 301 1HD2 ASN 46 1HD2 ASN 46 -10.436 8.028 0.224 302 2HD2 ASN 46 2HD2 ASN 46 -9.308 9.040 1.040 303 H TYR 47 H TYR 47 -6.190 5.574 -0.823 304 HA TYR 47 HA TYR 47 -4.682 5.559 -3.213 305 1HB TYR 47 1HB TYR 47 -4.796 3.678 -1.593 306 2HB TYR 47 2HB TYR 47 -6.445 3.364 -2.124 307 HD1 TYR 47 1HD TYR 47 -2.903 3.293 -3.136 308 HD2 TYR 47 2HD TYR 47 -6.887 2.270 -4.188 309 HE1 TYR 47 1HE TYR 47 -2.056 1.864 -4.943 310 HE2 TYR 47 2HE TYR 47 -6.047 0.832 -5.990 311 HH TYR 47 HH TYR 47 -4.146 0.566 -7.363 312 H ASP 48 H ASP 48 -8.178 5.294 -2.617 313 HA ASP 48 HA ASP 48 -9.014 4.549 -5.138 314 1HB ASP 48 1HB ASP 48 -10.302 6.342 -3.098 315 2HB ASP 48 2HB ASP 48 -11.107 5.886 -4.590 316 H ASP 49 H ASP 49 -7.993 7.683 -4.033 317 HA ASP 49 HA ASP 49 -8.892 9.160 -6.292 318 1HB ASP 49 1HB ASP 49 -7.017 9.753 -4.018 319 2HB ASP 49 2HB ASP 49 -7.254 10.895 -5.332 320 H ASP 50 H ASP 50 -5.518 8.672 -5.224 321 HA ASP 50 HA ASP 50 -4.580 9.203 -7.908 322 1HB ASP 50 1HB ASP 50 -3.189 8.813 -5.275 323 2HB ASP 50 2HB ASP 50 -2.294 8.948 -6.785 324 H ARG 51 H ARG 51 -5.198 6.372 -6.087 325 HA ARG 51 HA ARG 51 -4.641 4.202 -6.302 326 1HB ARG 51 1HB ARG 51 -5.001 4.958 -9.180 327 2HB ARG 51 2HB ARG 51 -5.115 3.326 -8.523 328 1HG ARG 51 1HG ARG 51 -6.773 4.692 -6.878 329 2HG ARG 51 2HG ARG 51 -7.029 5.533 -8.414 330 1HD ARG 51 1HD ARG 51 -7.140 2.564 -8.041 331 2HD ARG 51 2HD ARG 51 -8.550 3.619 -7.993 332 HE ARG 51 HE ARG 51 -7.198 2.659 -10.320 333 1HH1 ARG 51 1HH1 ARG 51 -9.069 5.317 -9.051 334 2HH1 ARG 51 2HH1 ARG 51 -9.564 5.887 -10.618 335 1HH2 ARG 51 1HH2 ARG 51 -7.878 3.342 -12.364 336 2HH2 ARG 51 2HH2 ARG 51 -8.884 4.755 -12.507 337 H LYS 52 H LYS 52 -2.361 5.226 -5.703 338 HA LYS 52 HA LYS 52 -0.504 3.904 -7.543 339 1HB LYS 52 1HB LYS 52 -0.030 6.381 -5.889 340 2HB LYS 52 2HB LYS 52 1.291 5.403 -6.522 341 1HG LYS 52 1HG LYS 52 0.334 5.716 -8.800 342 2HG LYS 52 2HG LYS 52 -0.813 6.859 -8.107 343 1HD LYS 52 1HD LYS 52 1.086 8.041 -9.078 344 2HD LYS 52 2HD LYS 52 1.071 8.243 -7.323 345 1HE LYS 52 1HE LYS 52 2.827 6.676 -7.032 346 2HE LYS 52 2HE LYS 52 2.692 6.106 -8.695 347 1HZ LYS 52 1HZ LYS 52 3.506 8.877 -7.990 348 2HZ LYS 52 2HZ LYS 52 4.609 7.606 -8.222 349 3HZ LYS 52 3HZ LYS 52 3.611 8.109 -9.504 350 H TRP 53 H TRP 53 0.258 2.124 -6.770 351 HA TRP 53 HA TRP 53 0.403 1.783 -3.858 352 1HB TRP 53 1HB TRP 53 -0.421 -0.458 -4.167 353 2HB TRP 53 2HB TRP 53 -1.514 0.669 -4.872 354 HD1 TRP 53 HD1 TRP 53 -1.052 0.953 -7.758 355 HE1 TRP 53 1HE TRP 53 -0.671 -1.013 -9.386 356 HE3 TRP 53 3HE TRP 53 0.315 -2.483 -4.371 357 HZ2 TRP 53 2HZ TRP 53 0.141 -3.751 -9.195 358 HZ3 TRP 53 3HZ TRP 53 0.898 -4.783 -5.112 359 HH2 TRP 53 HH2 TRP 53 0.808 -5.394 -7.486 360 H GLY 54 H GLY 54 1.606 -0.141 -3.234 361 1HA GLY 54 1HA GLY 54 3.722 -1.133 -4.894 362 2HA GLY 54 2HA GLY 54 4.286 0.036 -3.701 363 H PHE 55 H PHE 55 4.772 -2.895 -3.915 364 HA PHE 55 HA PHE 55 3.293 -4.272 -1.976 365 1HB PHE 55 1HB PHE 55 5.948 -4.713 -3.288 366 2HB PHE 55 2HB PHE 55 5.437 -5.757 -1.981 367 HD1 PHE 55 1HD PHE 55 2.403 -5.128 -3.153 368 HD2 PHE 55 2HD PHE 55 6.015 -6.899 -4.544 369 HE1 PHE 55 1HE PHE 55 1.117 -6.521 -4.717 370 HE2 PHE 55 2HE PHE 55 4.733 -8.295 -6.112 371 HZ PHE 55 HZ PHE 55 2.279 -8.084 -6.208 372 H CYS 56 H CYS 56 4.059 -5.163 0.004 373 HA CYS 56 HA CYS 56 4.907 -3.154 1.843 374 1HB CYS 56 1HB CYS 56 3.326 -5.257 2.136 375 2HB CYS 56 2HB CYS 56 4.830 -6.088 2.501 376 HA PRO 57 HA PRO 57 9.296 -3.831 1.644 377 1HB PRO 57 1HB PRO 57 10.083 -2.892 4.006 378 2HB PRO 57 2HB PRO 57 9.408 -1.824 2.765 379 1HG PRO 57 1HG PRO 57 8.004 -3.177 5.023 380 2HG PRO 57 2HG PRO 57 8.021 -1.437 4.658 381 1HD PRO 57 1HD PRO 57 5.977 -2.947 3.871 382 2HD PRO 57 2HD PRO 57 6.660 -1.739 2.755 383 H ASP 58 H ASP 58 10.806 -4.240 4.038 384 HA ASP 58 HA ASP 58 11.197 -6.987 3.994 385 1HB ASP 58 1HB ASP 58 12.789 -5.255 4.910 386 2HB ASP 58 2HB ASP 58 11.801 -5.217 6.365 387 H GLN 59 H GLN 59 10.262 -8.679 4.942 388 HA GLN 59 HA GLN 59 8.087 -8.156 6.841 389 1HB GLN 59 1HB GLN 59 8.623 -10.623 5.174 390 2HB GLN 59 2HB GLN 59 7.214 -10.353 6.199 391 1HG GLN 59 1HG GLN 59 6.540 -8.504 4.786 392 2HG GLN 59 2HG GLN 59 7.978 -8.709 3.789 393 1HE2 GLN 59 1HE2 GLN 59 4.690 -10.621 2.830 394 2HE2 GLN 59 2HE2 GLN 59 4.806 -9.237 3.859 395 H GLY 60 H GLY 60 10.268 -10.924 6.276 396 1HA GLY 60 1HA GLY 60 11.865 -10.893 8.432 397 2HA GLY 60 2HA GLY 60 10.345 -11.430 9.130 Start of MODEL 44 1 H SER 1 1H SER 1 14.589 9.668 7.115 2 HA SER 1 HA SER 1 14.845 7.251 5.892 3 1HB SER 1 1HB SER 1 15.695 7.796 8.077 4 2HB SER 1 2HB SER 1 14.074 8.123 8.689 5 HG SER 1 HG SER 1 13.963 6.097 9.189 6 H TRP 2 H TRP 2 13.499 5.773 5.130 7 HA TRP 2 HA TRP 2 10.971 5.223 6.294 8 1HB TRP 2 1HB TRP 2 9.563 5.696 4.319 9 2HB TRP 2 2HB TRP 2 10.224 7.156 5.030 10 HD1 TRP 2 HD1 TRP 2 11.780 4.825 2.312 11 HE1 TRP 2 1HE TRP 2 12.355 6.283 0.267 12 HE3 TRP 2 3HE TRP 2 9.973 9.302 3.990 13 HZ2 TRP 2 2HZ TRP 2 12.056 8.969 -0.531 14 HZ3 TRP 2 3HZ TRP 2 10.146 11.267 2.517 15 HH2 TRP 2 HH2 TRP 2 11.164 11.101 0.303 16 H MET 3 H MET 3 9.726 3.651 4.690 17 HA MET 3 HA MET 3 11.728 1.692 3.823 18 1HB MET 3 1HB MET 3 8.793 1.359 4.470 19 2HB MET 3 2HB MET 3 9.893 0.063 4.022 20 1HG MET 3 1HG MET 3 10.203 1.815 6.449 21 2HG MET 3 2HG MET 3 9.480 0.209 6.445 22 1HE MET 3 1HE MET 3 11.231 -0.267 8.432 23 2HE MET 3 2HE MET 3 12.983 -0.226 8.218 24 3HE MET 3 3HE MET 3 12.059 1.277 8.216 25 H SER 4 H SER 4 11.932 1.175 1.727 26 HA SER 4 HA SER 4 10.348 2.593 -0.226 27 1HB SER 4 1HB SER 4 12.469 0.485 -0.719 28 2HB SER 4 2HB SER 4 11.905 1.723 -1.842 29 HG SER 4 HG SER 4 13.588 1.959 0.389 30 H THR 5 H THR 5 9.390 1.433 -2.104 31 HA THR 5 HA THR 5 7.943 -0.890 -1.108 32 HB THR 5 HB THR 5 6.471 -0.336 -3.143 33 HG1 THR 5 1HG THR 5 7.556 2.239 -2.893 34 1HG2 THR 5 1HG2 THR 5 6.146 2.026 -1.548 35 2HG2 THR 5 2HG2 THR 5 5.099 0.613 -1.705 36 3HG2 THR 5 3HG2 THR 5 6.420 0.607 -0.538 37 H VAL 6 H VAL 6 7.256 -2.462 -2.634 38 HA VAL 6 HA VAL 6 9.256 -3.151 -4.699 39 HB VAL 6 HB VAL 6 7.688 -5.402 -3.752 40 1HG1 VAL 6 1HG1 VAL 6 10.546 -4.772 -4.259 41 2HG1 VAL 6 2HG1 VAL 6 10.153 -6.213 -3.318 42 3HG1 VAL 6 3HG1 VAL 6 9.521 -6.028 -4.957 43 1HG2 VAL 6 1HG2 VAL 6 8.508 -3.677 -1.674 44 2HG2 VAL 6 2HG2 VAL 6 7.814 -5.294 -1.544 45 3HG2 VAL 6 3HG2 VAL 6 9.563 -5.089 -1.630 46 H GLY 7 H GLY 7 7.798 -5.176 -5.840 47 1HA GLY 7 1HA GLY 7 6.239 -5.307 -7.588 48 2HA GLY 7 2HA GLY 7 5.157 -5.122 -6.239 49 H GLY 8 H GLY 8 3.612 -3.788 -6.713 50 1HA GLY 8 1HA GLY 8 2.440 -2.071 -7.749 51 2HA GLY 8 2HA GLY 8 3.578 -1.155 -6.791 52 H ASN 9 H ASN 9 3.864 0.571 -8.022 53 HA ASN 9 HA ASN 9 5.501 0.265 -10.361 54 1HB ASN 9 1HB ASN 9 4.085 1.587 -11.865 55 2HB ASN 9 2HB ASN 9 3.349 0.059 -11.444 56 1HD2 ASN 9 1HD2 ASN 9 1.397 2.555 -9.133 57 2HD2 ASN 9 2HD2 ASN 9 2.928 1.831 -8.790 58 H SER 10 H SER 10 5.717 1.411 -7.729 59 HA SER 10 HA SER 10 5.914 4.273 -8.291 60 1HB SER 10 1HB SER 10 6.207 2.794 -5.668 61 2HB SER 10 2HB SER 10 6.096 4.535 -5.893 62 HG SER 10 HG SER 10 4.099 2.615 -5.936 63 H GLY 11 H GLY 11 7.820 1.540 -7.043 64 1HA GLY 11 1HA GLY 11 10.095 1.208 -7.722 65 2HA GLY 11 2HA GLY 11 10.239 2.944 -7.963 66 H GLY 12 H GLY 12 10.955 4.200 -6.330 67 1HA GLY 12 1HA GLY 12 11.594 2.798 -3.813 68 2HA GLY 12 2HA GLY 12 12.521 4.137 -4.475 69 H ALA 13 H ALA 13 9.020 4.036 -4.364 70 HA ALA 13 HA ALA 13 9.058 6.431 -2.689 71 1HB ALA 13 1HB ALA 13 6.884 5.138 -4.328 72 2HB ALA 13 2HB ALA 13 6.601 6.505 -3.253 73 3HB ALA 13 3HB ALA 13 7.697 6.677 -4.623 74 HA PRO 14 HA PRO 14 7.719 4.074 0.808 75 1HB PRO 14 1HB PRO 14 7.060 6.065 2.478 76 2HB PRO 14 2HB PRO 14 8.734 5.788 1.986 77 1HG PRO 14 1HG PRO 14 6.812 7.863 1.063 78 2HG PRO 14 2HG PRO 14 8.563 7.978 1.302 79 1HD PRO 14 1HD PRO 14 7.265 7.596 -1.144 80 2HD PRO 14 2HD PRO 14 8.986 7.319 -0.834 81 H CYS 15 H CYS 15 5.854 3.573 2.102 82 HA CYS 15 HA CYS 15 3.367 4.072 0.670 83 1HB CYS 15 1HB CYS 15 4.046 2.208 2.960 84 2HB CYS 15 2HB CYS 15 2.436 2.353 2.259 85 H VAL 16 H VAL 16 1.778 5.384 1.374 86 HA VAL 16 HA VAL 16 2.237 6.931 3.794 87 HB VAL 16 HB VAL 16 0.109 7.246 1.657 88 1HG1 VAL 16 1HG1 VAL 16 0.476 8.506 4.246 89 2HG1 VAL 16 2HG1 VAL 16 0.498 9.676 2.930 90 3HG1 VAL 16 3HG1 VAL 16 -0.888 8.602 3.130 91 1HG2 VAL 16 1HG2 VAL 16 2.845 8.376 2.032 92 2HG2 VAL 16 2HG2 VAL 16 2.058 7.802 0.561 93 3HG2 VAL 16 3HG2 VAL 16 1.600 9.357 1.258 94 H PHE 17 H PHE 17 1.327 6.392 5.677 95 HA PHE 17 HA PHE 17 -1.137 4.801 5.609 96 1HB PHE 17 1HB PHE 17 1.135 4.825 7.591 97 2HB PHE 17 2HB PHE 17 -0.393 4.011 7.874 98 HD1 PHE 17 1HD PHE 17 -1.113 2.356 5.891 99 HD2 PHE 17 2HD PHE 17 2.840 3.624 6.781 100 HE1 PHE 17 1HE PHE 17 -0.218 0.363 4.766 101 HE2 PHE 17 2HE PHE 17 3.753 1.646 5.658 102 HZ PHE 17 HZ PHE 17 2.227 -0.016 4.629 103 HA PRO 18 HA PRO 18 -2.596 4.212 6.699 104 1HB PRO 18 1HB PRO 18 -5.217 4.664 7.101 105 2HB PRO 18 2HB PRO 18 -4.105 4.286 8.416 106 1HG PRO 18 1HG PRO 18 -5.370 6.853 7.697 107 2HG PRO 18 2HG PRO 18 -4.780 6.296 9.270 108 1HD PRO 18 1HD PRO 18 -3.473 8.059 7.453 109 2HD PRO 18 2HD PRO 18 -2.824 7.390 8.962 110 H PHE 19 H PHE 19 -3.155 3.545 4.712 111 HA PHE 19 HA PHE 19 -4.205 5.596 2.883 112 1HB PHE 19 1HB PHE 19 -3.433 4.277 1.016 113 2HB PHE 19 2HB PHE 19 -2.100 4.523 2.134 114 HD1 PHE 19 1HD PHE 19 -1.526 2.588 3.719 115 HD2 PHE 19 2HD PHE 19 -4.012 2.154 0.299 116 HE1 PHE 19 1HE PHE 19 -1.122 0.166 3.738 117 HE2 PHE 19 2HE PHE 19 -3.600 -0.275 0.304 118 HZ PHE 19 HZ PHE 19 -2.158 -1.267 2.028 119 H THR 20 H THR 20 -6.186 5.446 2.118 120 HA THR 20 HA THR 20 -7.742 3.182 3.067 121 HB THR 20 HB THR 20 -8.588 5.809 1.812 122 HG1 THR 20 1HG THR 20 -7.946 6.264 3.836 123 1HG2 THR 20 1HG2 THR 20 -10.776 4.933 3.151 124 2HG2 THR 20 2HG2 THR 20 -10.535 4.795 1.407 125 3HG2 THR 20 3HG2 THR 20 -10.162 3.429 2.460 126 H PHE 21 H PHE 21 -8.322 1.574 1.917 127 HA PHE 21 HA PHE 21 -8.566 1.840 -1.010 128 1HB PHE 21 1HB PHE 21 -6.523 0.509 -0.109 129 2HB PHE 21 2HB PHE 21 -7.703 -0.676 0.388 130 HD1 PHE 21 1HD PHE 21 -8.527 1.048 -2.679 131 HD2 PHE 21 2HD PHE 21 -6.428 -2.242 -1.003 132 HE1 PHE 21 1HE PHE 21 -8.420 -0.023 -4.881 133 HE2 PHE 21 2HE PHE 21 -6.323 -3.326 -3.185 134 HZ PHE 21 HZ PHE 21 -7.308 -2.207 -5.162 135 H LEU 22 H LEU 22 -10.318 0.673 -1.846 136 HA LEU 22 HA LEU 22 -12.503 0.190 -1.880 137 1HB LEU 22 1HB LEU 22 -11.181 -1.879 -0.239 138 2HB LEU 22 2HB LEU 22 -12.757 -2.114 -0.976 139 HG LEU 22 HG LEU 22 -11.632 -2.914 -2.734 140 1HD1 LEU 22 1HD1 LEU 22 -10.946 -0.108 -2.999 141 2HD1 LEU 22 2HD1 LEU 22 -10.126 -1.282 -4.031 142 3HD1 LEU 22 3HD1 LEU 22 -11.884 -1.157 -4.060 143 1HD2 LEU 22 1HD2 LEU 22 -9.869 -3.389 -1.127 144 2HD2 LEU 22 2HD2 LEU 22 -9.349 -3.240 -2.805 145 3HD2 LEU 22 3HD2 LEU 22 -9.083 -1.911 -1.680 146 H GLY 23 H GLY 23 -12.029 2.108 0.187 147 1HA GLY 23 1HA GLY 23 -13.516 3.118 1.666 148 2HA GLY 23 2HA GLY 23 -14.401 1.609 1.772 149 H ASN 24 H ASN 24 -11.263 0.735 2.376 150 HA ASN 24 HA ASN 24 -11.696 1.055 5.271 151 1HB ASN 24 1HB ASN 24 -9.987 -0.986 3.856 152 2HB ASN 24 2HB ASN 24 -10.446 -0.977 5.545 153 1HD2 ASN 24 1HD2 ASN 24 -12.640 -2.903 2.927 154 2HD2 ASN 24 2HD2 ASN 24 -11.012 -2.377 2.701 155 H LYS 25 H LYS 25 -10.146 1.994 6.525 156 HA LYS 25 HA LYS 25 -7.945 3.321 5.247 157 1HB LYS 25 1HB LYS 25 -8.770 3.098 8.150 158 2HB LYS 25 2HB LYS 25 -7.619 4.225 7.491 159 1HG LYS 25 1HG LYS 25 -9.283 5.425 6.326 160 2HG LYS 25 2HG LYS 25 -10.483 4.168 6.639 161 1HD LYS 25 1HD LYS 25 -10.312 4.653 9.058 162 2HD LYS 25 2HD LYS 25 -9.186 5.962 8.694 163 1HE LYS 25 1HE LYS 25 -12.022 5.770 7.699 164 2HE LYS 25 2HE LYS 25 -11.487 6.769 9.049 165 1HZ LYS 25 1HZ LYS 25 -9.885 7.784 7.336 166 2HZ LYS 25 2HZ LYS 25 -10.915 7.094 6.168 167 3HZ LYS 25 3HZ LYS 25 -11.519 8.234 7.272 168 H TYR 26 H TYR 26 -6.006 2.252 4.945 169 HA TYR 26 HA TYR 26 -5.473 -0.052 6.668 170 1HB TYR 26 1HB TYR 26 -4.213 0.755 4.051 171 2HB TYR 26 2HB TYR 26 -3.854 -0.715 4.949 172 HD1 TYR 26 1HD TYR 26 -6.876 -1.103 5.767 173 HD2 TYR 26 2HD TYR 26 -4.888 -0.439 2.072 174 HE1 TYR 26 1HE TYR 26 -8.662 -2.293 4.587 175 HE2 TYR 26 2HE TYR 26 -6.671 -1.622 0.892 176 HH TYR 26 HH TYR 26 -8.647 -3.677 2.158 177 H GLU 27 H GLU 27 -4.304 0.285 8.305 178 HA GLU 27 HA GLU 27 -2.394 2.456 8.470 179 1HB GLU 27 1HB GLU 27 -3.187 0.377 10.503 180 2HB GLU 27 2HB GLU 27 -2.227 1.800 10.805 181 1HG GLU 27 1HG GLU 27 -4.126 3.217 10.214 182 2HG GLU 27 2HG GLU 27 -5.097 1.771 9.937 183 H SER 28 H SER 28 -2.484 -0.874 7.832 184 HA SER 28 HA SER 28 0.439 -0.986 7.852 185 1HB SER 28 1HB SER 28 -0.018 -3.522 8.230 186 2HB SER 28 2HB SER 28 -0.127 -2.442 9.617 187 HG SER 28 HG SER 28 -2.101 -3.109 9.828 188 H CYS 29 H CYS 29 0.973 -3.112 6.346 189 HA CYS 29 HA CYS 29 0.057 -2.360 3.780 190 1HB CYS 29 1HB CYS 29 1.383 -4.948 4.584 191 2HB CYS 29 2HB CYS 29 1.239 -4.329 2.954 192 H THR 30 H THR 30 -1.004 -3.842 2.279 193 HA THR 30 HA THR 30 -3.036 -5.551 3.548 194 HB THR 30 HB THR 30 -3.949 -3.229 3.115 195 HG1 THR 30 1HG THR 30 -5.520 -4.687 3.098 196 1HG2 THR 30 1HG2 THR 30 -4.345 -3.585 0.297 197 2HG2 THR 30 2HG2 THR 30 -3.687 -2.201 1.173 198 3HG2 THR 30 3HG2 THR 30 -2.622 -3.513 0.666 199 H SER 31 H SER 31 -4.242 -6.775 1.823 200 HA SER 31 HA SER 31 -2.492 -7.362 -0.459 201 1HB SER 31 1HB SER 31 -3.301 -9.732 -0.305 202 2HB SER 31 2HB SER 31 -2.300 -9.228 1.063 203 HG SER 31 HG SER 31 -3.942 -9.991 2.164 204 H ALA 32 H ALA 32 -4.902 -5.686 0.257 205 HA ALA 32 HA ALA 32 -7.210 -6.587 -1.050 206 1HB ALA 32 1HB ALA 32 -6.344 -4.244 0.288 207 2HB ALA 32 2HB ALA 32 -6.938 -3.736 -1.292 208 3HB ALA 32 3HB ALA 32 -7.988 -4.649 -0.207 209 H GLY 33 H GLY 33 -7.976 -6.347 -3.124 210 1HA GLY 33 1HA GLY 33 -7.919 -5.849 -5.392 211 2HA GLY 33 2HA GLY 33 -6.493 -4.860 -5.098 212 H ARG 34 H ARG 34 -5.416 -7.400 -3.657 213 HA ARG 34 HA ARG 34 -4.348 -8.584 -6.106 214 1HB ARG 34 1HB ARG 34 -3.266 -8.630 -3.288 215 2HB ARG 34 2HB ARG 34 -2.529 -9.426 -4.659 216 1HG ARG 34 1HG ARG 34 -2.589 -6.986 -5.666 217 2HG ARG 34 2HG ARG 34 -2.609 -6.548 -3.963 218 1HD ARG 34 1HD ARG 34 -0.317 -6.661 -4.915 219 2HD ARG 34 2HD ARG 34 -0.561 -7.780 -3.570 220 HE ARG 34 HE ARG 34 -0.195 -9.523 -4.991 221 1HH1 ARG 34 1HH1 ARG 34 -0.962 -6.707 -6.949 222 2HH1 ARG 34 2HH1 ARG 34 -0.606 -7.505 -8.449 223 1HH2 ARG 34 1HH2 ARG 34 0.216 -10.570 -6.974 224 2HH2 ARG 34 2HH2 ARG 34 0.095 -9.679 -8.460 225 H SER 35 H SER 35 -4.709 -9.787 -2.807 226 HA SER 35 HA SER 35 -5.508 -11.721 -1.937 227 1HB SER 35 1HB SER 35 -7.345 -11.647 -4.340 228 2HB SER 35 2HB SER 35 -7.575 -12.643 -2.902 229 HG SER 35 HG SER 35 -8.153 -9.999 -3.301 230 H ASP 36 H ASP 36 -3.348 -11.737 -4.026 231 HA ASP 36 HA ASP 36 -3.623 -14.454 -5.059 232 1HB ASP 36 1HB ASP 36 -2.037 -13.850 -6.702 233 2HB ASP 36 2HB ASP 36 -3.058 -12.444 -6.514 234 H GLY 37 H GLY 37 -1.715 -12.386 -3.081 235 1HA GLY 37 1HA GLY 37 -0.865 -14.180 -1.235 236 2HA GLY 37 2HA GLY 37 0.323 -14.333 -2.517 237 H LYS 38 H LYS 38 1.279 -12.194 -3.250 238 HA LYS 38 HA LYS 38 2.670 -11.036 -1.149 239 1HB LYS 38 1HB LYS 38 2.215 -9.679 -3.798 240 2HB LYS 38 2HB LYS 38 3.634 -9.598 -2.763 241 1HG LYS 38 1HG LYS 38 4.343 -10.991 -4.443 242 2HG LYS 38 2HG LYS 38 3.807 -12.147 -3.229 243 1HD LYS 38 1HD LYS 38 1.624 -12.257 -4.443 244 2HD LYS 38 2HD LYS 38 2.334 -11.245 -5.702 245 1HE LYS 38 1HE LYS 38 3.942 -12.904 -6.240 246 2HE LYS 38 2HE LYS 38 3.518 -13.866 -4.827 247 1HZ LYS 38 1HZ LYS 38 1.308 -13.320 -6.592 248 2HZ LYS 38 2HZ LYS 38 2.530 -14.278 -7.286 249 3HZ LYS 38 3HZ LYS 38 1.772 -14.776 -5.851 250 H MET 39 H MET 39 2.454 -9.238 0.063 251 HA MET 39 HA MET 39 -0.077 -7.803 -0.168 252 1HB MET 39 1HB MET 39 1.915 -7.841 2.109 253 2HB MET 39 2HB MET 39 0.368 -7.022 2.106 254 1HG MET 39 1HG MET 39 -0.047 -8.945 3.316 255 2HG MET 39 2HG MET 39 -0.657 -9.328 1.709 256 1HE MET 39 1HE MET 39 2.556 -9.000 3.487 257 2HE MET 39 2HE MET 39 2.542 -10.584 4.266 258 3HE MET 39 3HE MET 39 3.572 -10.298 2.863 259 H TRP 40 H TRP 40 -0.069 -5.505 -0.037 260 HA TRP 40 HA TRP 40 2.487 -4.198 -0.686 261 1HB TRP 40 1HB TRP 40 1.356 -2.932 -2.483 262 2HB TRP 40 2HB TRP 40 1.372 -4.660 -2.830 263 HD1 TRP 40 HD1 TRP 40 -1.097 -5.950 -2.185 264 HE1 TRP 40 1HE TRP 40 -3.480 -5.030 -2.439 265 HE3 TRP 40 3HE TRP 40 -0.029 -0.968 -2.528 266 HZ2 TRP 40 2HZ TRP 40 -4.733 -2.541 -2.713 267 HZ3 TRP 40 3HZ TRP 40 -1.893 0.621 -2.759 268 HH2 TRP 40 HH2 TRP 40 -4.199 -0.155 -2.856 269 H CYS 41 H CYS 41 1.596 -1.688 -1.140 270 HA CYS 41 HA CYS 41 -0.375 -0.789 0.695 271 1HB CYS 41 1HB CYS 41 1.298 0.669 2.012 272 2HB CYS 41 2HB CYS 41 1.130 -1.023 2.466 273 H ALA 42 H ALA 42 -1.016 1.292 0.213 274 HA ALA 42 HA ALA 42 -0.171 2.263 -2.326 275 1HB ALA 42 1HB ALA 42 -2.495 2.479 -1.368 276 2HB ALA 42 2HB ALA 42 -1.864 3.781 -0.357 277 3HB ALA 42 3HB ALA 42 -1.831 3.934 -2.116 278 H THR 43 H THR 43 0.838 4.174 -2.845 279 HA THR 43 HA THR 43 2.636 5.156 -0.764 280 HB THR 43 HB THR 43 4.017 5.956 -2.593 281 HG1 THR 43 1HG THR 43 2.642 6.610 -4.162 282 1HG2 THR 43 1HG2 THR 43 3.860 3.640 -4.013 283 2HG2 THR 43 2HG2 THR 43 4.742 3.839 -2.496 284 3HG2 THR 43 3HG2 THR 43 3.103 3.182 -2.486 285 H THR 44 H THR 44 -0.284 5.777 -1.531 286 HA THR 44 HA THR 44 -0.060 8.692 -1.276 287 HB THR 44 HB THR 44 -2.156 8.847 -2.655 288 HG1 THR 44 1HG THR 44 -3.116 7.085 -3.216 289 1HG2 THR 44 1HG2 THR 44 0.073 7.516 -4.170 290 2HG2 THR 44 2HG2 THR 44 -1.174 8.582 -4.820 291 3HG2 THR 44 3HG2 THR 44 0.046 9.219 -3.717 292 H ALA 45 H ALA 45 -1.857 9.645 -0.089 293 HA ALA 45 HA ALA 45 -2.626 8.159 2.174 294 1HB ALA 45 1HB ALA 45 -2.450 10.604 2.171 295 2HB ALA 45 2HB ALA 45 -3.851 10.705 1.106 296 3HB ALA 45 3HB ALA 45 -4.032 10.073 2.743 297 H ASN 46 H ASN 46 -4.346 8.922 -0.816 298 HA ASN 46 HA ASN 46 -6.419 6.994 -0.023 299 1HB ASN 46 1HB ASN 46 -7.254 9.375 -0.190 300 2HB ASN 46 2HB ASN 46 -6.838 9.334 -1.901 301 1HD2 ASN 46 1HD2 ASN 46 -10.285 7.842 -0.583 302 2HD2 ASN 46 2HD2 ASN 46 -9.180 8.722 0.402 303 H TYR 47 H TYR 47 -6.076 5.194 -1.103 304 HA TYR 47 HA TYR 47 -4.619 5.206 -3.576 305 1HB TYR 47 1HB TYR 47 -4.239 3.462 -1.886 306 2HB TYR 47 2HB TYR 47 -5.882 2.879 -2.134 307 HD1 TYR 47 1HD TYR 47 -2.608 3.339 -3.780 308 HD2 TYR 47 2HD TYR 47 -6.395 1.423 -3.932 309 HE1 TYR 47 1HE TYR 47 -1.805 1.926 -5.614 310 HE2 TYR 47 2HE TYR 47 -5.602 0.005 -5.769 311 HH TYR 47 HH TYR 47 -2.745 -0.663 -6.489 312 H ASP 48 H ASP 48 -7.995 4.801 -2.678 313 HA ASP 48 HA ASP 48 -8.912 3.576 -4.986 314 1HB ASP 48 1HB ASP 48 -10.189 5.385 -2.990 315 2HB ASP 48 2HB ASP 48 -11.070 4.960 -4.452 316 H ASP 49 H ASP 49 -8.119 6.948 -4.452 317 HA ASP 49 HA ASP 49 -9.191 7.698 -7.049 318 1HB ASP 49 1HB ASP 49 -8.030 9.258 -4.753 319 2HB ASP 49 2HB ASP 49 -8.301 10.001 -6.322 320 H ASP 50 H ASP 50 -6.028 8.019 -5.408 321 HA ASP 50 HA ASP 50 -4.722 8.771 -7.828 322 1HB ASP 50 1HB ASP 50 -3.660 8.023 -5.110 323 2HB ASP 50 2HB ASP 50 -2.614 8.476 -6.453 324 H ARG 51 H ARG 51 -5.254 5.707 -6.299 325 HA ARG 51 HA ARG 51 -4.503 3.624 -6.671 326 1HB ARG 51 1HB ARG 51 -4.917 4.556 -9.483 327 2HB ARG 51 2HB ARG 51 -4.895 2.877 -8.946 328 1HG ARG 51 1HG ARG 51 -6.661 4.032 -7.224 329 2HG ARG 51 2HG ARG 51 -7.000 4.878 -8.743 330 1HD ARG 51 1HD ARG 51 -6.846 1.898 -8.416 331 2HD ARG 51 2HD ARG 51 -8.343 2.834 -8.389 332 HE ARG 51 HE ARG 51 -6.942 3.449 -10.751 333 1HH1 ARG 51 1HH1 ARG 51 -8.691 0.794 -9.304 334 2HH1 ARG 51 2HH1 ARG 51 -9.108 0.065 -10.822 335 1HH2 ARG 51 1HH2 ARG 51 -7.539 2.548 -12.740 336 2HH2 ARG 51 2HH2 ARG 51 -8.464 1.075 -12.787 337 H LYS 52 H LYS 52 -2.287 4.874 -6.013 338 HA LYS 52 HA LYS 52 -0.300 3.742 -7.860 339 1HB LYS 52 1HB LYS 52 -0.146 6.273 -6.214 340 2HB LYS 52 2HB LYS 52 1.303 5.448 -6.785 341 1HG LYS 52 1HG LYS 52 0.766 5.814 -9.038 342 2HG LYS 52 2HG LYS 52 -0.901 6.233 -8.658 343 1HD LYS 52 1HD LYS 52 -0.118 8.282 -7.563 344 2HD LYS 52 2HD LYS 52 1.547 7.857 -7.967 345 1HE LYS 52 1HE LYS 52 1.027 7.963 -10.342 346 2HE LYS 52 2HE LYS 52 -0.667 8.299 -9.978 347 1HZ LYS 52 1HZ LYS 52 1.246 10.113 -8.765 348 2HZ LYS 52 2HZ LYS 52 1.177 10.171 -10.460 349 3HZ LYS 52 3HZ LYS 52 -0.234 10.439 -9.546 350 H TRP 53 H TRP 53 0.652 2.048 -7.046 351 HA TRP 53 HA TRP 53 0.768 1.765 -4.120 352 1HB TRP 53 1HB TRP 53 0.014 -0.514 -4.387 353 2HB TRP 53 2HB TRP 53 -1.136 0.596 -5.055 354 HD1 TRP 53 HD1 TRP 53 -0.667 0.901 -7.974 355 HE1 TRP 53 1HE TRP 53 -0.339 -1.076 -9.601 356 HE3 TRP 53 3HE TRP 53 0.621 -2.547 -4.574 357 HZ2 TRP 53 2HZ TRP 53 0.356 -3.853 -9.391 358 HZ3 TRP 53 3HZ TRP 53 1.089 -4.877 -5.303 359 HH2 TRP 53 HH2 TRP 53 0.966 -5.509 -7.665 360 H GLY 54 H GLY 54 1.908 -0.296 -3.547 361 1HA GLY 54 1HA GLY 54 4.048 -1.265 -5.141 362 2HA GLY 54 2HA GLY 54 4.621 -0.116 -3.930 363 H PHE 55 H PHE 55 4.982 -3.098 -4.156 364 HA PHE 55 HA PHE 55 3.426 -4.429 -2.265 365 1HB PHE 55 1HB PHE 55 6.202 -4.910 -3.317 366 2HB PHE 55 2HB PHE 55 5.480 -5.958 -2.115 367 HD1 PHE 55 1HD PHE 55 2.756 -5.001 -3.887 368 HD2 PHE 55 2HD PHE 55 6.299 -7.294 -4.399 369 HE1 PHE 55 1HE PHE 55 1.644 -6.322 -5.641 370 HE2 PHE 55 2HE PHE 55 5.189 -8.626 -6.155 371 HZ PHE 55 HZ PHE 55 2.855 -8.129 -6.781 372 H CYS 56 H CYS 56 4.022 -5.220 -0.173 373 HA CYS 56 HA CYS 56 4.740 -3.176 1.625 374 1HB CYS 56 1HB CYS 56 3.285 -5.249 2.021 375 2HB CYS 56 2HB CYS 56 4.796 -6.124 2.247 376 HA PRO 57 HA PRO 57 9.172 -3.499 1.497 377 1HB PRO 57 1HB PRO 57 9.789 -1.996 3.591 378 2HB PRO 57 2HB PRO 57 9.048 -1.282 2.148 379 1HG PRO 57 1HG PRO 57 7.718 -2.243 4.644 380 2HG PRO 57 2HG PRO 57 7.574 -0.634 3.901 381 1HD PRO 57 1HD PRO 57 5.719 -2.511 3.468 382 2HD PRO 57 2HD PRO 57 6.272 -1.470 2.137 383 H ASP 58 H ASP 58 10.617 -3.284 3.939 384 HA ASP 58 HA ASP 58 11.041 -5.971 4.564 385 1HB ASP 58 1HB ASP 58 12.618 -4.020 4.978 386 2HB ASP 58 2HB ASP 58 11.662 -3.667 6.412 387 H GLN 59 H GLN 59 9.840 -7.352 5.681 388 HA GLN 59 HA GLN 59 7.956 -6.273 7.676 389 1HB GLN 59 1HB GLN 59 7.742 -8.817 6.061 390 2HB GLN 59 2HB GLN 59 6.562 -8.240 7.230 391 1HG GLN 59 1HG GLN 59 6.224 -6.241 5.828 392 2HG GLN 59 2HG GLN 59 7.341 -6.920 4.642 393 1HE2 GLN 59 1HE2 GLN 59 4.903 -8.759 3.069 394 2HE2 GLN 59 2HE2 GLN 59 6.448 -7.985 3.045 395 H GLY 60 H GLY 60 10.856 -7.394 7.765 396 1HA GLY 60 1HA GLY 60 11.643 -8.065 9.997 397 2HA GLY 60 2HA GLY 60 10.325 -9.230 10.015 Start of MODEL 45 1 H SER 1 1H SER 1 17.408 -0.733 5.908 2 HA SER 1 HA SER 1 15.796 -2.116 4.368 3 1HB SER 1 1HB SER 1 15.645 -3.873 6.171 4 2HB SER 1 2HB SER 1 14.917 -2.662 7.225 5 HG SER 1 HG SER 1 13.073 -2.886 6.217 6 H TRP 2 H TRP 2 14.623 -0.464 3.632 7 HA TRP 2 HA TRP 2 14.055 1.772 5.445 8 1HB TRP 2 1HB TRP 2 13.531 2.979 3.239 9 2HB TRP 2 2HB TRP 2 15.216 2.573 3.556 10 HD1 TRP 2 HD1 TRP 2 12.367 0.518 1.869 11 HE1 TRP 2 1HE TRP 2 13.255 -0.364 -0.378 12 HE3 TRP 2 3HE TRP 2 17.009 2.629 1.970 13 HZ2 TRP 2 2HZ TRP 2 15.614 -0.162 -1.919 14 HZ3 TRP 2 3HZ TRP 2 18.514 2.257 0.063 15 HH2 TRP 2 HH2 TRP 2 17.833 0.889 -1.841 16 H MET 3 H MET 3 11.978 2.935 5.062 17 HA MET 3 HA MET 3 9.833 0.966 4.941 18 1HB MET 3 1HB MET 3 9.875 3.822 5.917 19 2HB MET 3 2HB MET 3 8.431 2.822 5.877 20 1HG MET 3 1HG MET 3 9.544 1.214 7.381 21 2HG MET 3 2HG MET 3 10.933 2.301 7.466 22 1HE MET 3 1HE MET 3 10.729 4.689 7.962 23 2HE MET 3 2HE MET 3 9.116 5.407 7.932 24 3HE MET 3 3HE MET 3 9.968 5.209 9.465 25 H SER 4 H SER 4 10.965 1.504 2.524 26 HA SER 4 HA SER 4 9.103 3.302 1.155 27 1HB SER 4 1HB SER 4 11.597 1.944 0.093 28 2HB SER 4 2HB SER 4 10.610 3.126 -0.770 29 HG SER 4 HG SER 4 11.997 4.472 0.091 30 H THR 5 H THR 5 8.655 2.343 -1.221 31 HA THR 5 HA THR 5 7.281 -0.158 -0.679 32 HB THR 5 HB THR 5 6.049 0.398 -2.772 33 HG1 THR 5 1HG THR 5 7.542 1.684 -3.810 34 1HG2 THR 5 1HG2 THR 5 5.969 2.771 -0.968 35 2HG2 THR 5 2HG2 THR 5 4.661 2.030 -1.890 36 3HG2 THR 5 3HG2 THR 5 5.326 1.200 -0.484 37 H VAL 6 H VAL 6 6.925 -1.580 -2.466 38 HA VAL 6 HA VAL 6 9.198 -2.050 -4.277 39 HB VAL 6 HB VAL 6 7.771 -4.467 -3.440 40 1HG1 VAL 6 1HG1 VAL 6 9.928 -4.162 -4.816 41 2HG1 VAL 6 2HG1 VAL 6 10.722 -4.046 -3.247 42 3HG1 VAL 6 3HG1 VAL 6 9.821 -5.501 -3.675 43 1HG2 VAL 6 1HG2 VAL 6 7.959 -3.053 -1.293 44 2HG2 VAL 6 2HG2 VAL 6 8.463 -4.743 -1.258 45 3HG2 VAL 6 3HG2 VAL 6 9.673 -3.465 -1.370 46 H GLY 7 H GLY 7 7.919 -4.273 -5.427 47 1HA GLY 7 1HA GLY 7 6.501 -4.534 -7.276 48 2HA GLY 7 2HA GLY 7 5.318 -4.360 -6.013 49 H GLY 8 H GLY 8 3.778 -3.085 -6.529 50 1HA GLY 8 1HA GLY 8 2.547 -1.480 -7.656 51 2HA GLY 8 2HA GLY 8 3.627 -0.469 -6.729 52 H ASN 9 H ASN 9 3.659 1.197 -8.083 53 HA ASN 9 HA ASN 9 5.161 0.838 -10.572 54 1HB ASN 9 1HB ASN 9 3.569 2.841 -11.363 55 2HB ASN 9 2HB ASN 9 3.178 1.164 -11.670 56 1HD2 ASN 9 1HD2 ASN 9 0.814 3.433 -9.427 57 2HD2 ASN 9 2HD2 ASN 9 2.235 4.013 -10.225 58 H SER 10 H SER 10 4.226 2.730 -7.832 59 HA SER 10 HA SER 10 5.430 5.182 -8.418 60 1HB SER 10 1HB SER 10 5.275 3.911 -5.672 61 2HB SER 10 2HB SER 10 5.265 5.631 -6.071 62 HG SER 10 HG SER 10 3.164 5.070 -5.693 63 H GLY 11 H GLY 11 6.813 2.128 -7.641 64 1HA GLY 11 1HA GLY 11 9.100 1.612 -7.929 65 2HA GLY 11 2HA GLY 11 9.480 3.317 -7.724 66 H GLY 12 H GLY 12 10.393 3.853 -5.869 67 1HA GLY 12 1HA GLY 12 9.890 2.103 -3.548 68 2HA GLY 12 2HA GLY 12 11.445 2.856 -3.871 69 H ALA 13 H ALA 13 8.136 4.199 -3.962 70 HA ALA 13 HA ALA 13 9.052 6.506 -2.467 71 1HB ALA 13 1HB ALA 13 6.459 5.760 -3.778 72 2HB ALA 13 2HB ALA 13 6.577 7.157 -2.710 73 3HB ALA 13 3HB ALA 13 7.558 7.081 -4.174 74 HA PRO 14 HA PRO 14 7.852 5.085 1.544 75 1HB PRO 14 1HB PRO 14 6.932 7.810 2.170 76 2HB PRO 14 2HB PRO 14 8.243 6.876 2.895 77 1HG PRO 14 1HG PRO 14 8.729 8.985 1.298 78 2HG PRO 14 2HG PRO 14 9.790 7.565 1.330 79 1HD PRO 14 1HD PRO 14 7.704 8.327 -0.680 80 2HD PRO 14 2HD PRO 14 9.308 7.610 -0.935 81 H CYS 15 H CYS 15 6.041 4.103 2.247 82 HA CYS 15 HA CYS 15 3.550 4.494 0.952 83 1HB CYS 15 1HB CYS 15 3.723 3.228 3.670 84 2HB CYS 15 2HB CYS 15 2.725 2.769 2.301 85 H VAL 16 H VAL 16 1.810 5.753 1.531 86 HA VAL 16 HA VAL 16 2.218 7.579 3.789 87 HB VAL 16 HB VAL 16 0.256 7.752 1.490 88 1HG1 VAL 16 1HG1 VAL 16 -0.450 8.770 3.738 89 2HG1 VAL 16 2HG1 VAL 16 0.846 9.935 3.466 90 3HG1 VAL 16 3HG1 VAL 16 -0.486 9.814 2.316 91 1HG2 VAL 16 1HG2 VAL 16 2.853 9.124 2.107 92 2HG2 VAL 16 2HG2 VAL 16 2.397 8.233 0.654 93 3HG2 VAL 16 3HG2 VAL 16 1.668 9.802 0.990 94 H PHE 17 H PHE 17 1.306 6.998 5.653 95 HA PHE 17 HA PHE 17 -1.261 5.593 5.551 96 1HB PHE 17 1HB PHE 17 0.863 5.562 7.702 97 2HB PHE 17 2HB PHE 17 -0.695 4.775 7.821 98 HD1 PHE 17 1HD PHE 17 -1.234 2.872 6.287 99 HD2 PHE 17 2HD PHE 17 2.645 4.579 6.582 100 HE1 PHE 17 1HE PHE 17 -0.275 0.859 5.264 101 HE2 PHE 17 2HE PHE 17 3.624 2.573 5.558 102 HZ PHE 17 HZ PHE 17 2.175 0.684 4.880 103 HA PRO 18 HA PRO 18 -2.781 5.084 6.817 104 1HB PRO 18 1HB PRO 18 -5.415 6.052 7.155 105 2HB PRO 18 2HB PRO 18 -4.451 5.169 8.338 106 1HG PRO 18 1HG PRO 18 -5.282 7.837 8.530 107 2HG PRO 18 2HG PRO 18 -4.063 7.042 9.540 108 1HD PRO 18 1HD PRO 18 -3.706 8.855 7.207 109 2HD PRO 18 2HD PRO 18 -2.678 8.630 8.640 110 H PHE 19 H PHE 19 -3.308 4.318 4.842 111 HA PHE 19 HA PHE 19 -4.404 6.270 2.926 112 1HB PHE 19 1HB PHE 19 -3.491 4.972 1.123 113 2HB PHE 19 2HB PHE 19 -2.208 5.299 2.278 114 HD1 PHE 19 1HD PHE 19 -4.337 2.729 0.768 115 HD2 PHE 19 2HD PHE 19 -1.198 3.512 3.541 116 HE1 PHE 19 1HE PHE 19 -3.764 0.347 0.782 117 HE2 PHE 19 2HE PHE 19 -0.637 1.114 3.562 118 HZ PHE 19 HZ PHE 19 -1.900 -0.461 2.183 119 H THR 20 H THR 20 -6.357 5.952 2.093 120 HA THR 20 HA THR 20 -7.816 3.653 3.134 121 HB THR 20 HB THR 20 -8.783 6.210 1.829 122 HG1 THR 20 1HG THR 20 -8.150 6.817 3.773 123 1HG2 THR 20 1HG2 THR 20 -10.932 5.461 3.147 124 2HG2 THR 20 2HG2 THR 20 -10.634 4.941 1.488 125 3HG2 THR 20 3HG2 THR 20 -10.277 3.854 2.830 126 H PHE 21 H PHE 21 -8.497 2.026 2.035 127 HA PHE 21 HA PHE 21 -8.717 2.178 -0.905 128 1HB PHE 21 1HB PHE 21 -6.607 0.979 0.041 129 2HB PHE 21 2HB PHE 21 -7.729 -0.251 0.565 130 HD1 PHE 21 1HD PHE 21 -8.733 1.230 -2.560 131 HD2 PHE 21 2HD PHE 21 -6.226 -1.706 -0.784 132 HE1 PHE 21 1HE PHE 21 -8.561 0.057 -4.702 133 HE2 PHE 21 2HE PHE 21 -6.040 -2.872 -2.922 134 HZ PHE 21 HZ PHE 21 -7.210 -1.979 -4.909 135 H LEU 22 H LEU 22 -10.421 0.859 -1.694 136 HA LEU 22 HA LEU 22 -12.574 0.224 -1.685 137 1HB LEU 22 1HB LEU 22 -11.114 -1.701 0.018 138 2HB LEU 22 2HB LEU 22 -12.664 -2.068 -0.720 139 HG LEU 22 HG LEU 22 -11.449 -2.864 -2.422 140 1HD1 LEU 22 1HD1 LEU 22 -11.981 -0.551 -3.262 141 2HD1 LEU 22 2HD1 LEU 22 -10.250 -0.277 -3.049 142 3HD1 LEU 22 3HD1 LEU 22 -10.819 -1.543 -4.136 143 1HD2 LEU 22 1HD2 LEU 22 -9.461 -2.256 -0.608 144 2HD2 LEU 22 2HD2 LEU 22 -9.469 -3.479 -1.882 145 3HD2 LEU 22 3HD2 LEU 22 -8.886 -1.847 -2.220 146 H GLY 23 H GLY 23 -12.258 2.254 0.303 147 1HA GLY 23 1HA GLY 23 -13.817 3.167 1.779 148 2HA GLY 23 2HA GLY 23 -14.560 1.589 1.936 149 H ASN 24 H ASN 24 -11.411 0.890 2.536 150 HA ASN 24 HA ASN 24 -11.818 1.389 5.402 151 1HB ASN 24 1HB ASN 24 -10.302 -0.815 4.001 152 2HB ASN 24 2HB ASN 24 -10.384 -0.596 5.743 153 1HD2 ASN 24 1HD2 ASN 24 -13.292 -2.472 3.781 154 2HD2 ASN 24 2HD2 ASN 24 -11.795 -2.005 3.073 155 H LYS 25 H LYS 25 -10.362 2.439 6.549 156 HA LYS 25 HA LYS 25 -8.199 3.775 5.254 157 1HB LYS 25 1HB LYS 25 -9.095 3.652 8.146 158 2HB LYS 25 2HB LYS 25 -7.975 4.805 7.466 159 1HG LYS 25 1HG LYS 25 -9.614 5.946 6.292 160 2HG LYS 25 2HG LYS 25 -10.721 4.576 6.338 161 1HD LYS 25 1HD LYS 25 -11.552 6.270 7.798 162 2HD LYS 25 2HD LYS 25 -10.968 4.932 8.791 163 1HE LYS 25 1HE LYS 25 -9.203 7.278 8.168 164 2HE LYS 25 2HE LYS 25 -10.403 7.382 9.455 165 1HZ LYS 25 1HZ LYS 25 -8.465 5.147 9.386 166 2HZ LYS 25 2HZ LYS 25 -8.028 6.655 10.030 167 3HZ LYS 25 3HZ LYS 25 -9.318 5.782 10.709 168 H TYR 26 H TYR 26 -6.154 2.927 5.102 169 HA TYR 26 HA TYR 26 -5.554 0.676 6.871 170 1HB TYR 26 1HB TYR 26 -4.253 1.428 4.254 171 2HB TYR 26 2HB TYR 26 -3.891 0.007 5.221 172 HD1 TYR 26 1HD TYR 26 -6.829 -0.585 5.962 173 HD2 TYR 26 2HD TYR 26 -4.900 0.280 2.282 174 HE1 TYR 26 1HE TYR 26 -8.541 -1.861 4.763 175 HE2 TYR 26 2HE TYR 26 -6.600 -0.987 1.087 176 HH TYR 26 HH TYR 26 -9.351 -1.599 1.928 177 H GLU 27 H GLU 27 -4.387 1.094 8.487 178 HA GLU 27 HA GLU 27 -2.547 3.346 8.513 179 1HB GLU 27 1HB GLU 27 -3.701 1.573 10.634 180 2HB GLU 27 2HB GLU 27 -2.391 2.678 10.964 181 1HG GLU 27 1HG GLU 27 -3.777 4.544 10.204 182 2HG GLU 27 2HG GLU 27 -5.103 3.420 9.924 183 H SER 28 H SER 28 -2.580 0.016 8.074 184 HA SER 28 HA SER 28 0.333 -0.091 8.259 185 1HB SER 28 1HB SER 28 -0.092 -2.581 8.830 186 2HB SER 28 2HB SER 28 -0.298 -1.404 10.118 187 HG SER 28 HG SER 28 -2.591 -1.787 8.690 188 H CYS 29 H CYS 29 0.956 -2.295 6.956 189 HA CYS 29 HA CYS 29 0.198 -1.808 4.296 190 1HB CYS 29 1HB CYS 29 1.355 -4.331 5.478 191 2HB CYS 29 2HB CYS 29 1.262 -3.959 3.771 192 H THR 30 H THR 30 -0.796 -3.384 2.868 193 HA THR 30 HA THR 30 -2.863 -5.057 4.080 194 HB THR 30 HB THR 30 -3.870 -2.762 3.689 195 HG1 THR 30 1HG THR 30 -5.363 -4.323 3.618 196 1HG2 THR 30 1HG2 THR 30 -4.392 -2.717 1.011 197 2HG2 THR 30 2HG2 THR 30 -3.211 -1.704 1.837 198 3HG2 THR 30 3HG2 THR 30 -2.695 -3.201 1.057 199 H SER 31 H SER 31 -4.007 -6.271 2.302 200 HA SER 31 HA SER 31 -2.229 -6.698 0.019 201 1HB SER 31 1HB SER 31 -2.882 -9.159 0.167 202 2HB SER 31 2HB SER 31 -1.784 -8.569 1.428 203 HG SER 31 HG SER 31 -3.522 -9.870 2.251 204 H ALA 32 H ALA 32 -4.606 -5.114 0.612 205 HA ALA 32 HA ALA 32 -6.959 -6.145 -0.507 206 1HB ALA 32 1HB ALA 32 -6.346 -3.859 0.794 207 2HB ALA 32 2HB ALA 32 -6.420 -3.253 -0.859 208 3HB ALA 32 3HB ALA 32 -7.818 -4.060 -0.156 209 H GLY 33 H GLY 33 -7.792 -6.157 -2.551 210 1HA GLY 33 1HA GLY 33 -7.841 -5.920 -4.852 211 2HA GLY 33 2HA GLY 33 -6.504 -4.784 -4.722 212 H ARG 34 H ARG 34 -5.322 -7.244 -3.052 213 HA ARG 34 HA ARG 34 -4.112 -8.494 -5.413 214 1HB ARG 34 1HB ARG 34 -3.051 -8.314 -2.587 215 2HB ARG 34 2HB ARG 34 -2.225 -9.027 -3.950 216 1HG ARG 34 1HG ARG 34 -2.669 -6.542 -4.902 217 2HG ARG 34 2HG ARG 34 -2.507 -6.217 -3.175 218 1HD ARG 34 1HD ARG 34 -0.355 -6.121 -4.461 219 2HD ARG 34 2HD ARG 34 -0.353 -7.255 -3.106 220 HE ARG 34 HE ARG 34 -0.019 -8.954 -4.582 221 1HH1 ARG 34 1HH1 ARG 34 -1.304 -6.222 -6.369 222 2HH1 ARG 34 2HH1 ARG 34 -1.221 -7.026 -7.904 223 1HH2 ARG 34 1HH2 ARG 34 0.044 -10.017 -6.595 224 2HH2 ARG 34 2HH2 ARG 34 -0.496 -9.197 -8.027 225 H SER 35 H SER 35 -4.141 -9.564 -2.071 226 HA SER 35 HA SER 35 -4.755 -11.485 -1.042 227 1HB SER 35 1HB SER 35 -7.023 -10.716 -2.002 228 2HB SER 35 2HB SER 35 -6.786 -11.965 -3.224 229 HG SER 35 HG SER 35 -7.355 -13.407 -1.807 230 H ASP 36 H ASP 36 -2.866 -11.412 -3.426 231 HA ASP 36 HA ASP 36 -3.010 -14.179 -4.313 232 1HB ASP 36 1HB ASP 36 -1.724 -13.543 -6.114 233 2HB ASP 36 2HB ASP 36 -2.527 -12.032 -5.745 234 H GLY 37 H GLY 37 -1.183 -12.010 -2.385 235 1HA GLY 37 1HA GLY 37 -0.138 -13.657 -0.554 236 2HA GLY 37 2HA GLY 37 0.967 -13.892 -1.895 237 H LYS 38 H LYS 38 1.529 -11.544 -2.918 238 HA LYS 38 HA LYS 38 3.162 -10.306 -1.002 239 1HB LYS 38 1HB LYS 38 2.284 -9.208 -3.676 240 2HB LYS 38 2HB LYS 38 3.708 -8.733 -2.761 241 1HG LYS 38 1HG LYS 38 4.465 -10.121 -4.477 242 2HG LYS 38 2HG LYS 38 4.519 -11.119 -3.039 243 1HD LYS 38 1HD LYS 38 2.428 -12.183 -3.713 244 2HD LYS 38 2HD LYS 38 2.348 -11.145 -5.138 245 1HE LYS 38 1HE LYS 38 4.346 -12.155 -6.035 246 2HE LYS 38 2HE LYS 38 4.579 -13.090 -4.553 247 1HZ LYS 38 1HZ LYS 38 1.991 -13.444 -5.815 248 2HZ LYS 38 2HZ LYS 38 3.302 -13.997 -6.740 249 3HZ LYS 38 3HZ LYS 38 3.063 -14.603 -5.172 250 H MET 39 H MET 39 2.906 -8.538 0.257 251 HA MET 39 HA MET 39 0.278 -7.260 0.238 252 1HB MET 39 1HB MET 39 2.478 -7.287 2.312 253 2HB MET 39 2HB MET 39 0.993 -6.368 2.450 254 1HG MET 39 1HG MET 39 -0.290 -8.461 2.338 255 2HG MET 39 2HG MET 39 1.226 -9.354 2.296 256 1HE MET 39 1HE MET 39 0.152 -10.733 4.227 257 2HE MET 39 2HE MET 39 -0.082 -10.149 5.879 258 3HE MET 39 3HE MET 39 -1.225 -9.701 4.612 259 H TRP 40 H TRP 40 0.246 -4.876 0.544 260 HA TRP 40 HA TRP 40 2.671 -3.543 -0.400 261 1HB TRP 40 1HB TRP 40 1.428 -2.329 -2.147 262 2HB TRP 40 2HB TRP 40 1.445 -4.066 -2.448 263 HD1 TRP 40 HD1 TRP 40 -0.946 -5.360 -1.611 264 HE1 TRP 40 1HE TRP 40 -3.352 -4.492 -1.787 265 HE3 TRP 40 3HE TRP 40 0.035 -0.394 -2.185 266 HZ2 TRP 40 2HZ TRP 40 -4.651 -2.029 -2.089 267 HZ3 TRP 40 3HZ TRP 40 -1.855 1.166 -2.376 268 HH2 TRP 40 HH2 TRP 40 -4.152 0.354 -2.336 269 H CYS 41 H CYS 41 1.868 -1.078 -0.812 270 HA CYS 41 HA CYS 41 0.131 -0.070 1.268 271 1HB CYS 41 1HB CYS 41 1.959 1.422 2.179 272 2HB CYS 41 2HB CYS 41 2.132 -0.281 2.597 273 H ALA 42 H ALA 42 -0.687 1.939 0.664 274 HA ALA 42 HA ALA 42 -0.085 2.747 -2.027 275 1HB ALA 42 1HB ALA 42 -1.940 3.862 0.053 276 2HB ALA 42 2HB ALA 42 -1.696 4.629 -1.514 277 3HB ALA 42 3HB ALA 42 -2.344 2.987 -1.429 278 H THR 43 H THR 43 0.655 4.829 -2.667 279 HA THR 43 HA THR 43 2.530 5.934 -0.703 280 HB THR 43 HB THR 43 3.808 6.725 -2.632 281 HG1 THR 43 1HG THR 43 2.520 7.119 -4.286 282 1HG2 THR 43 1HG2 THR 43 3.962 4.356 -3.825 283 2HG2 THR 43 2HG2 THR 43 4.608 4.637 -2.208 284 3HG2 THR 43 3HG2 THR 43 3.032 3.872 -2.408 285 H THR 44 H THR 44 -0.417 6.442 -1.316 286 HA THR 44 HA THR 44 -0.238 9.348 -1.129 287 HB THR 44 HB THR 44 -2.310 9.514 -2.545 288 HG1 THR 44 1HG THR 44 -3.230 7.749 -3.159 289 1HG2 THR 44 1HG2 THR 44 -0.817 8.434 -4.639 290 2HG2 THR 44 2HG2 THR 44 -0.865 10.116 -4.105 291 3HG2 THR 44 3HG2 THR 44 0.368 9.021 -3.470 292 H ALA 45 H ALA 45 -1.854 10.283 0.169 293 HA ALA 45 HA ALA 45 -2.714 8.877 2.390 294 1HB ALA 45 1HB ALA 45 -3.456 11.478 1.175 295 2HB ALA 45 2HB ALA 45 -4.516 10.829 2.426 296 3HB ALA 45 3HB ALA 45 -2.809 11.112 2.775 297 H ASN 46 H ASN 46 -4.537 9.543 -0.587 298 HA ASN 46 HA ASN 46 -6.444 7.485 0.299 299 1HB ASN 46 1HB ASN 46 -7.413 9.840 0.123 300 2HB ASN 46 2HB ASN 46 -7.159 9.703 -1.621 301 1HD2 ASN 46 1HD2 ASN 46 -10.391 8.176 0.074 302 2HD2 ASN 46 2HD2 ASN 46 -9.283 9.235 0.858 303 H TYR 47 H TYR 47 -5.893 5.722 -0.727 304 HA TYR 47 HA TYR 47 -4.488 5.722 -3.191 305 1HB TYR 47 1HB TYR 47 -4.168 3.964 -1.515 306 2HB TYR 47 2HB TYR 47 -5.829 3.424 -1.759 307 HD1 TYR 47 1HD TYR 47 -2.658 3.993 -3.632 308 HD2 TYR 47 2HD TYR 47 -6.267 1.767 -3.321 309 HE1 TYR 47 1HE TYR 47 -1.919 2.556 -5.480 310 HE2 TYR 47 2HE TYR 47 -5.534 0.332 -5.169 311 HH TYR 47 HH TYR 47 -3.052 -0.318 -6.120 312 H ASP 48 H ASP 48 -7.884 5.348 -2.383 313 HA ASP 48 HA ASP 48 -8.657 4.253 -4.853 314 1HB ASP 48 1HB ASP 48 -10.055 5.526 -2.574 315 2HB ASP 48 2HB ASP 48 -10.915 5.458 -4.108 316 H ASP 49 H ASP 49 -7.909 7.451 -3.864 317 HA ASP 49 HA ASP 49 -9.189 8.739 -6.101 318 1HB ASP 49 1HB ASP 49 -7.385 9.729 -3.897 319 2HB ASP 49 2HB ASP 49 -7.950 10.766 -5.193 320 H ASP 50 H ASP 50 -5.797 8.535 -5.000 321 HA ASP 50 HA ASP 50 -4.864 9.389 -7.603 322 1HB ASP 50 1HB ASP 50 -3.388 8.732 -5.052 323 2HB ASP 50 2HB ASP 50 -2.613 9.315 -6.519 324 H ARG 51 H ARG 51 -5.276 6.339 -6.055 325 HA ARG 51 HA ARG 51 -4.561 4.272 -6.443 326 1HB ARG 51 1HB ARG 51 -5.006 5.297 -9.210 327 2HB ARG 51 2HB ARG 51 -4.805 3.590 -8.814 328 1HG ARG 51 1HG ARG 51 -6.664 4.502 -6.985 329 2HG ARG 51 2HG ARG 51 -7.130 5.288 -8.502 330 1HD ARG 51 1HD ARG 51 -7.023 3.088 -9.602 331 2HD ARG 51 2HD ARG 51 -6.676 2.363 -8.035 332 HE ARG 51 HE ARG 51 -9.240 3.177 -9.036 333 1HH1 ARG 51 1HH1 ARG 51 -7.352 2.638 -6.137 334 2HH1 ARG 51 2HH1 ARG 51 -8.745 2.490 -5.106 335 1HH2 ARG 51 1HH2 ARG 51 -11.058 2.950 -7.690 336 2HH2 ARG 51 2HH2 ARG 51 -10.850 2.627 -5.997 337 H LYS 52 H LYS 52 -2.357 5.478 -5.707 338 HA LYS 52 HA LYS 52 -0.349 4.365 -7.533 339 1HB LYS 52 1HB LYS 52 -0.173 6.847 -5.824 340 2HB LYS 52 2HB LYS 52 1.271 6.002 -6.360 341 1HG LYS 52 1HG LYS 52 0.581 6.335 -8.692 342 2HG LYS 52 2HG LYS 52 -0.838 7.223 -8.131 343 1HD LYS 52 1HD LYS 52 0.575 8.910 -7.115 344 2HD LYS 52 2HD LYS 52 2.020 7.995 -7.539 345 1HE LYS 52 1HE LYS 52 0.048 9.191 -9.483 346 2HE LYS 52 2HE LYS 52 1.626 9.863 -9.077 347 1HZ LYS 52 1HZ LYS 52 2.466 7.534 -9.837 348 2HZ LYS 52 2HZ LYS 52 0.986 7.450 -10.653 349 3HZ LYS 52 3HZ LYS 52 2.074 8.711 -11.004 350 H TRP 53 H TRP 53 0.631 2.669 -6.730 351 HA TRP 53 HA TRP 53 0.757 2.386 -3.807 352 1HB TRP 53 1HB TRP 53 0.005 0.096 -4.020 353 2HB TRP 53 2HB TRP 53 -1.170 1.183 -4.690 354 HD1 TRP 53 HD1 TRP 53 -0.826 1.437 -7.600 355 HE1 TRP 53 1HE TRP 53 -0.431 -0.533 -9.217 356 HE3 TRP 53 3HE TRP 53 0.774 -1.902 -4.224 357 HZ2 TRP 53 2HZ TRP 53 0.461 -3.245 -9.032 358 HZ3 TRP 53 3HZ TRP 53 1.395 -4.205 -4.969 359 HH2 TRP 53 HH2 TRP 53 1.240 -4.846 -7.321 360 H GLY 54 H GLY 54 1.925 0.331 -3.243 361 1HA GLY 54 1HA GLY 54 3.964 -0.683 -4.922 362 2HA GLY 54 2HA GLY 54 4.618 0.496 -3.785 363 H PHE 55 H PHE 55 5.048 -2.428 -3.929 364 HA PHE 55 HA PHE 55 3.610 -3.778 -1.931 365 1HB PHE 55 1HB PHE 55 6.318 -4.191 -3.150 366 2HB PHE 55 2HB PHE 55 5.694 -5.252 -1.906 367 HD1 PHE 55 1HD PHE 55 2.845 -4.419 -3.529 368 HD2 PHE 55 2HD PHE 55 6.462 -6.543 -4.225 369 HE1 PHE 55 1HE PHE 55 1.711 -5.806 -5.232 370 HE2 PHE 55 2HE PHE 55 5.334 -7.920 -5.922 371 HZ PHE 55 HZ PHE 55 2.959 -7.545 -6.428 372 H CYS 56 H CYS 56 4.566 -4.695 0.030 373 HA CYS 56 HA CYS 56 6.049 -2.655 1.544 374 1HB CYS 56 1HB CYS 56 4.127 -4.837 2.384 375 2HB CYS 56 2HB CYS 56 5.239 -4.104 3.543 376 HA PRO 57 HA PRO 57 9.575 -5.281 1.798 377 1HB PRO 57 1HB PRO 57 10.381 -5.392 4.346 378 2HB PRO 57 2HB PRO 57 10.442 -3.887 3.409 379 1HG PRO 57 1HG PRO 57 8.279 -4.891 5.192 380 2HG PRO 57 2HG PRO 57 9.123 -3.332 5.319 381 1HD PRO 57 1HD PRO 57 6.765 -3.442 4.117 382 2HD PRO 57 2HD PRO 57 8.080 -2.520 3.350 383 H ASP 58 H ASP 58 10.471 -6.923 3.890 384 HA ASP 58 HA ASP 58 9.383 -9.383 3.113 385 1HB ASP 58 1HB ASP 58 11.676 -9.029 4.039 386 2HB ASP 58 2HB ASP 58 10.955 -8.850 5.634 387 H GLN 59 H GLN 59 7.915 -10.755 3.970 388 HA GLN 59 HA GLN 59 6.192 -9.690 6.091 389 1HB GLN 59 1HB GLN 59 5.734 -11.974 4.157 390 2HB GLN 59 2HB GLN 59 4.563 -11.384 5.322 391 1HG GLN 59 1HG GLN 59 4.499 -9.239 4.159 392 2HG GLN 59 2HG GLN 59 5.675 -9.842 2.992 393 1HE2 GLN 59 1HE2 GLN 59 3.187 -11.081 0.950 394 2HE2 GLN 59 2HE2 GLN 59 4.730 -10.322 1.137 395 H GLY 60 H GLY 60 7.495 -12.830 5.049 396 1HA GLY 60 1HA GLY 60 8.726 -13.555 7.417 397 2HA GLY 60 2HA GLY 60 7.055 -14.090 7.551 Start of MODEL 46 1 H SER 1 1H SER 1 18.149 7.670 3.891 2 HA SER 1 HA SER 1 17.548 5.612 5.168 3 1HB SER 1 1HB SER 1 17.810 6.984 7.362 4 2HB SER 1 2HB SER 1 16.215 7.622 6.985 5 HG SER 1 HG SER 1 16.516 5.579 8.364 6 H TRP 2 H TRP 2 16.199 5.077 3.586 7 HA TRP 2 HA TRP 2 13.595 6.311 3.400 8 1HB TRP 2 1HB TRP 2 15.077 7.748 1.974 9 2HB TRP 2 2HB TRP 2 15.434 6.333 0.991 10 HD1 TRP 2 HD1 TRP 2 13.046 5.188 -0.151 11 HE1 TRP 2 1HE TRP 2 11.144 6.481 -1.304 12 HE3 TRP 2 3HE TRP 2 13.868 9.810 1.870 13 HZ2 TRP 2 2HZ TRP 2 10.110 9.108 -1.331 14 HZ3 TRP 2 3HZ TRP 2 12.360 11.654 1.250 15 HH2 TRP 2 HH2 TRP 2 10.519 11.308 -0.321 16 H MET 3 H MET 3 12.482 4.435 3.605 17 HA MET 3 HA MET 3 13.426 2.056 2.236 18 1HB MET 3 1HB MET 3 11.490 0.960 3.429 19 2HB MET 3 2HB MET 3 12.742 1.618 4.461 20 1HG MET 3 1HG MET 3 11.388 3.438 5.107 21 2HG MET 3 2HG MET 3 10.217 3.111 3.827 22 1HE MET 3 1HE MET 3 9.085 3.828 6.010 23 2HE MET 3 2HE MET 3 7.845 2.595 6.237 24 3HE MET 3 3HE MET 3 9.048 2.880 7.495 25 H SER 4 H SER 4 12.854 1.745 0.200 26 HA SER 4 HA SER 4 10.422 2.963 -0.834 27 1HB SER 4 1HB SER 4 12.545 1.370 -2.288 28 2HB SER 4 2HB SER 4 11.263 2.321 -3.029 29 HG SER 4 HG SER 4 12.219 4.187 -2.308 30 H THR 5 H THR 5 8.923 1.712 -2.144 31 HA THR 5 HA THR 5 8.231 -0.760 -0.844 32 HB THR 5 HB THR 5 6.283 -0.654 -2.459 33 HG1 THR 5 1HG THR 5 7.000 2.004 -2.944 34 1HG2 THR 5 1HG2 THR 5 5.400 1.580 -1.471 35 2HG2 THR 5 2HG2 THR 5 5.617 0.163 -0.443 36 3HG2 THR 5 3HG2 THR 5 6.826 1.447 -0.440 37 H VAL 6 H VAL 6 7.366 -2.534 -2.230 38 HA VAL 6 HA VAL 6 9.244 -3.199 -4.413 39 HB VAL 6 HB VAL 6 7.610 -5.407 -3.491 40 1HG1 VAL 6 1HG1 VAL 6 10.363 -4.849 -4.225 41 2HG1 VAL 6 2HG1 VAL 6 10.214 -6.052 -2.941 42 3HG1 VAL 6 3HG1 VAL 6 9.390 -6.298 -4.483 43 1HG2 VAL 6 1HG2 VAL 6 7.659 -4.228 -1.346 44 2HG2 VAL 6 2HG2 VAL 6 8.565 -5.741 -1.287 45 3HG2 VAL 6 3HG2 VAL 6 9.419 -4.201 -1.411 46 H GLY 7 H GLY 7 7.770 -5.161 -5.603 47 1HA GLY 7 1HA GLY 7 6.176 -5.310 -7.300 48 2HA GLY 7 2HA GLY 7 5.102 -4.991 -5.973 49 H GLY 8 H GLY 8 3.690 -3.583 -6.414 50 1HA GLY 8 1HA GLY 8 2.562 -1.883 -7.495 51 2HA GLY 8 2HA GLY 8 3.744 -0.981 -6.585 52 H ASN 9 H ASN 9 3.909 0.711 -7.859 53 HA ASN 9 HA ASN 9 5.516 0.452 -10.229 54 1HB ASN 9 1HB ASN 9 3.996 1.713 -11.704 55 2HB ASN 9 2HB ASN 9 3.356 0.141 -11.276 56 1HD2 ASN 9 1HD2 ASN 9 1.333 2.475 -8.874 57 2HD2 ASN 9 2HD2 ASN 9 2.901 1.806 -8.596 58 H SER 10 H SER 10 5.508 1.680 -7.531 59 HA SER 10 HA SER 10 5.526 4.531 -8.068 60 1HB SER 10 1HB SER 10 6.559 4.176 -5.541 61 2HB SER 10 2HB SER 10 4.861 4.444 -5.917 62 HG SER 10 HG SER 10 4.565 2.541 -5.079 63 H GLY 11 H GLY 11 7.741 1.893 -7.916 64 1HA GLY 11 1HA GLY 11 9.950 1.860 -8.609 65 2HA GLY 11 2HA GLY 11 9.901 3.609 -8.763 66 H GLY 12 H GLY 12 9.975 4.864 -6.717 67 1HA GLY 12 1HA GLY 12 11.503 3.384 -4.670 68 2HA GLY 12 2HA GLY 12 12.009 4.965 -5.239 69 H ALA 13 H ALA 13 8.629 4.767 -5.033 70 HA ALA 13 HA ALA 13 8.644 6.572 -2.786 71 1HB ALA 13 1HB ALA 13 7.005 6.297 -4.938 72 2HB ALA 13 2HB ALA 13 6.043 5.561 -3.654 73 3HB ALA 13 3HB ALA 13 6.623 7.218 -3.483 74 HA PRO 14 HA PRO 14 7.756 3.466 0.247 75 1HB PRO 14 1HB PRO 14 7.464 5.114 2.359 76 2HB PRO 14 2HB PRO 14 9.033 4.799 1.615 77 1HG PRO 14 1HG PRO 14 7.359 7.219 1.498 78 2HG PRO 14 2HG PRO 14 9.104 7.048 1.264 79 1HD PRO 14 1HD PRO 14 7.079 7.284 -0.747 80 2HD PRO 14 2HD PRO 14 8.823 7.048 -0.976 81 H CYS 15 H CYS 15 6.094 3.215 2.140 82 HA CYS 15 HA CYS 15 3.486 3.519 0.929 83 1HB CYS 15 1HB CYS 15 3.930 2.519 3.735 84 2HB CYS 15 2HB CYS 15 2.677 2.067 2.590 85 H VAL 16 H VAL 16 1.715 4.648 1.849 86 HA VAL 16 HA VAL 16 2.472 6.717 3.818 87 HB VAL 16 HB VAL 16 0.394 6.935 1.618 88 1HG1 VAL 16 1HG1 VAL 16 -0.081 8.123 3.839 89 2HG1 VAL 16 2HG1 VAL 16 1.293 9.155 3.437 90 3HG1 VAL 16 3HG1 VAL 16 -0.113 9.101 2.372 91 1HG2 VAL 16 1HG2 VAL 16 3.212 7.778 1.864 92 2HG2 VAL 16 2HG2 VAL 16 2.266 7.378 0.428 93 3HG2 VAL 16 3HG2 VAL 16 2.096 8.964 1.183 94 H PHE 17 H PHE 17 1.529 6.411 5.749 95 HA PHE 17 HA PHE 17 -1.090 5.093 5.787 96 1HB PHE 17 1HB PHE 17 1.180 4.905 7.762 97 2HB PHE 17 2HB PHE 17 -0.421 4.248 8.030 98 HD1 PHE 17 1HD PHE 17 -1.259 2.707 5.947 99 HD2 PHE 17 2HD PHE 17 2.763 3.472 7.091 100 HE1 PHE 17 1HE PHE 17 -0.549 0.629 4.849 101 HE2 PHE 17 2HE PHE 17 3.488 1.398 5.998 102 HZ PHE 17 HZ PHE 17 1.833 -0.055 4.858 103 HA PRO 18 HA PRO 18 -2.517 4.618 7.031 104 1HB PRO 18 1HB PRO 18 -5.090 5.567 7.618 105 2HB PRO 18 2HB PRO 18 -4.035 4.673 8.713 106 1HG PRO 18 1HG PRO 18 -4.864 7.361 8.977 107 2HG PRO 18 2HG PRO 18 -3.629 6.531 9.937 108 1HD PRO 18 1HD PRO 18 -3.316 8.387 7.642 109 2HD PRO 18 2HD PRO 18 -2.229 8.090 9.017 110 H PHE 19 H PHE 19 -3.289 3.971 5.057 111 HA PHE 19 HA PHE 19 -4.333 6.146 3.370 112 1HB PHE 19 1HB PHE 19 -3.760 4.858 1.414 113 2HB PHE 19 2HB PHE 19 -2.350 5.023 2.440 114 HD1 PHE 19 1HD PHE 19 -1.630 3.036 3.822 115 HD2 PHE 19 2HD PHE 19 -4.541 2.785 0.737 116 HE1 PHE 19 1HE PHE 19 -1.237 0.615 3.648 117 HE2 PHE 19 2HE PHE 19 -4.160 0.363 0.561 118 HZ PHE 19 HZ PHE 19 -2.503 -0.724 2.017 119 H THR 20 H THR 20 -5.713 4.705 1.485 120 HA THR 20 HA THR 20 -7.611 3.055 2.946 121 HB THR 20 HB THR 20 -8.443 5.590 1.495 122 HG1 THR 20 1HG THR 20 -7.654 5.208 4.008 123 1HG2 THR 20 1HG2 THR 20 -10.295 4.062 3.230 124 2HG2 THR 20 2HG2 THR 20 -10.631 5.118 1.857 125 3HG2 THR 20 3HG2 THR 20 -10.013 3.489 1.587 126 H PHE 21 H PHE 21 -8.232 1.419 1.754 127 HA PHE 21 HA PHE 21 -8.059 1.682 -1.186 128 1HB PHE 21 1HB PHE 21 -6.313 0.172 -0.122 129 2HB PHE 21 2HB PHE 21 -7.641 -0.837 0.402 130 HD1 PHE 21 1HD PHE 21 -6.157 0.594 -2.696 131 HD2 PHE 21 2HD PHE 21 -8.469 -2.526 -0.969 132 HE1 PHE 21 1HE PHE 21 -6.033 -0.652 -4.797 133 HE2 PHE 21 2HE PHE 21 -8.341 -3.779 -3.065 134 HZ PHE 21 HZ PHE 21 -7.129 -2.850 -4.994 135 H LEU 22 H LEU 22 -9.765 1.080 -2.257 136 HA LEU 22 HA LEU 22 -11.959 0.761 -2.625 137 1HB LEU 22 1HB LEU 22 -10.515 -1.651 -1.778 138 2HB LEU 22 2HB LEU 22 -12.189 -1.798 -2.284 139 HG LEU 22 HG LEU 22 -10.516 -2.210 -4.091 140 1HD1 LEU 22 1HD1 LEU 22 -12.895 -0.865 -4.100 141 2HD1 LEU 22 2HD1 LEU 22 -11.822 0.127 -5.092 142 3HD1 LEU 22 3HD1 LEU 22 -12.072 -1.570 -5.495 143 1HD2 LEU 22 1HD2 LEU 22 -9.072 -0.219 -3.256 144 2HD2 LEU 22 2HD2 LEU 22 -9.173 -0.597 -4.975 145 3HD2 LEU 22 3HD2 LEU 22 -10.138 0.720 -4.303 146 H GLY 23 H GLY 23 -11.979 2.074 -0.325 147 1HA GLY 23 1HA GLY 23 -13.790 2.578 1.094 148 2HA GLY 23 2HA GLY 23 -14.313 0.914 0.983 149 H ASN 24 H ASN 24 -11.196 0.395 1.830 150 HA ASN 24 HA ASN 24 -11.897 0.688 4.676 151 1HB ASN 24 1HB ASN 24 -10.131 -1.392 3.384 152 2HB ASN 24 2HB ASN 24 -10.609 -1.324 5.076 153 1HD2 ASN 24 1HD2 ASN 24 -12.904 -3.154 2.406 154 2HD2 ASN 24 2HD2 ASN 24 -11.298 -2.611 2.104 155 H LYS 25 H LYS 25 -10.528 1.638 6.051 156 HA LYS 25 HA LYS 25 -8.296 3.140 5.104 157 1HB LYS 25 1HB LYS 25 -9.183 2.595 7.940 158 2HB LYS 25 2HB LYS 25 -8.243 3.942 7.360 159 1HG LYS 25 1HG LYS 25 -11.049 3.492 6.437 160 2HG LYS 25 2HG LYS 25 -10.687 4.357 7.931 161 1HD LYS 25 1HD LYS 25 -9.322 5.958 6.656 162 2HD LYS 25 2HD LYS 25 -9.737 5.100 5.169 163 1HE LYS 25 1HE LYS 25 -12.055 5.654 5.425 164 2HE LYS 25 2HE LYS 25 -11.769 6.325 7.030 165 1HZ LYS 25 1HZ LYS 25 -10.120 7.835 5.649 166 2HZ LYS 25 2HZ LYS 25 -11.221 7.485 4.412 167 3HZ LYS 25 3HZ LYS 25 -11.763 8.230 5.839 168 H TYR 26 H TYR 26 -6.154 2.380 5.053 169 HA TYR 26 HA TYR 26 -5.627 0.032 6.742 170 1HB TYR 26 1HB TYR 26 -4.303 0.787 4.143 171 2HB TYR 26 2HB TYR 26 -3.933 -0.622 5.120 172 HD1 TYR 26 1HD TYR 26 -6.917 -1.189 5.804 173 HD2 TYR 26 2HD TYR 26 -4.852 -0.452 2.179 174 HE1 TYR 26 1HE TYR 26 -8.604 -2.470 4.582 175 HE2 TYR 26 2HE TYR 26 -6.528 -1.722 0.948 176 HH TYR 26 HH TYR 26 -9.070 -2.313 1.365 177 H GLU 27 H GLU 27 -4.390 0.399 8.343 178 HA GLU 27 HA GLU 27 -2.602 2.700 8.378 179 1HB GLU 27 1HB GLU 27 -3.581 0.856 10.545 180 2HB GLU 27 2HB GLU 27 -2.495 2.195 10.802 181 1HG GLU 27 1HG GLU 27 -4.206 3.739 9.958 182 2HG GLU 27 2HG GLU 27 -5.306 2.376 9.775 183 H SER 28 H SER 28 -2.613 -0.623 7.945 184 HA SER 28 HA SER 28 0.304 -0.762 8.185 185 1HB SER 28 1HB SER 28 -0.148 -3.258 8.621 186 2HB SER 28 2HB SER 28 -0.469 -2.152 9.952 187 HG SER 28 HG SER 28 -2.290 -3.486 8.253 188 H CYS 29 H CYS 29 0.867 -3.013 6.821 189 HA CYS 29 HA CYS 29 0.143 -2.328 4.167 190 1HB CYS 29 1HB CYS 29 1.488 -4.817 5.208 191 2HB CYS 29 2HB CYS 29 1.322 -4.407 3.515 192 H THR 30 H THR 30 -0.807 -3.968 2.661 193 HA THR 30 HA THR 30 -2.883 -5.616 3.911 194 HB THR 30 HB THR 30 -3.891 -3.365 3.479 195 HG1 THR 30 1HG THR 30 -5.384 -4.904 3.322 196 1HG2 THR 30 1HG2 THR 30 -4.351 -2.874 1.023 197 2HG2 THR 30 2HG2 THR 30 -2.748 -2.483 1.644 198 3HG2 THR 30 3HG2 THR 30 -2.990 -3.940 0.679 199 H SER 31 H SER 31 -4.101 -6.789 2.103 200 HA SER 31 HA SER 31 -2.320 -7.406 -0.143 201 1HB SER 31 1HB SER 31 -2.976 -9.811 0.093 202 2HB SER 31 2HB SER 31 -2.025 -9.210 1.460 203 HG SER 31 HG SER 31 -4.061 -8.896 2.566 204 H ALA 32 H ALA 32 -4.672 -5.731 0.412 205 HA ALA 32 HA ALA 32 -7.048 -6.752 -0.660 206 1HB ALA 32 1HB ALA 32 -6.166 -4.362 0.481 207 2HB ALA 32 2HB ALA 32 -6.698 -3.911 -1.140 208 3HB ALA 32 3HB ALA 32 -7.810 -4.728 -0.041 209 H GLY 33 H GLY 33 -7.949 -6.760 -2.647 210 1HA GLY 33 1HA GLY 33 -8.123 -6.576 -4.935 211 2HA GLY 33 2HA GLY 33 -6.814 -5.406 -4.889 212 H ARG 34 H ARG 34 -5.629 -8.006 -3.304 213 HA ARG 34 HA ARG 34 -4.330 -8.976 -5.741 214 1HB ARG 34 1HB ARG 34 -3.487 -9.385 -2.870 215 2HB ARG 34 2HB ARG 34 -2.571 -9.779 -4.307 216 1HG ARG 34 1HG ARG 34 -3.070 -7.137 -4.693 217 2HG ARG 34 2HG ARG 34 -2.880 -7.228 -2.939 218 1HD ARG 34 1HD ARG 34 -0.762 -6.803 -4.213 219 2HD ARG 34 2HD ARG 34 -0.715 -8.218 -3.146 220 HE ARG 34 HE ARG 34 -0.522 -9.568 -4.998 221 1HH1 ARG 34 1HH1 ARG 34 -1.411 -6.337 -6.009 222 2HH1 ARG 34 2HH1 ARG 34 -1.339 -6.699 -7.709 223 1HH2 ARG 34 1HH2 ARG 34 -0.478 -10.072 -7.226 224 2HH2 ARG 34 2HH2 ARG 34 -0.819 -8.831 -8.397 225 H SER 35 H SER 35 -4.729 -10.911 -6.505 226 HA SER 35 HA SER 35 -6.437 -12.710 -4.962 227 1HB SER 35 1HB SER 35 -5.614 -12.871 -7.874 228 2HB SER 35 2HB SER 35 -6.845 -13.853 -7.076 229 HG SER 35 HG SER 35 -7.881 -12.177 -8.122 230 H ASP 36 H ASP 36 -3.254 -12.261 -5.099 231 HA ASP 36 HA ASP 36 -2.586 -15.106 -5.238 232 1HB ASP 36 1HB ASP 36 -0.172 -14.035 -5.025 233 2HB ASP 36 2HB ASP 36 -0.989 -14.168 -6.568 234 H GLY 37 H GLY 37 -0.902 -12.652 -3.456 235 1HA GLY 37 1HA GLY 37 -1.884 -13.210 -0.915 236 2HA GLY 37 2HA GLY 37 -0.515 -14.271 -1.195 237 H LYS 38 H LYS 38 0.681 -12.156 -2.957 238 HA LYS 38 HA LYS 38 2.533 -11.042 -1.272 239 1HB LYS 38 1HB LYS 38 1.444 -9.849 -3.838 240 2HB LYS 38 2HB LYS 38 2.976 -9.440 -3.090 241 1HG LYS 38 1HG LYS 38 3.934 -11.467 -3.631 242 2HG LYS 38 2HG LYS 38 2.380 -12.247 -3.909 243 1HD LYS 38 1HD LYS 38 2.059 -10.886 -5.908 244 2HD LYS 38 2HD LYS 38 3.586 -10.056 -5.600 245 1HE LYS 38 1HE LYS 38 4.718 -12.292 -5.758 246 2HE LYS 38 2HE LYS 38 3.174 -12.954 -6.299 247 1HZ LYS 38 1HZ LYS 38 3.638 -10.735 -7.879 248 2HZ LYS 38 2HZ LYS 38 5.129 -11.537 -7.790 249 3HZ LYS 38 3HZ LYS 38 3.752 -12.365 -8.342 250 H MET 39 H MET 39 2.363 -9.553 0.351 251 HA MET 39 HA MET 39 0.010 -7.866 0.397 252 1HB MET 39 1HB MET 39 2.255 -8.088 2.426 253 2HB MET 39 2HB MET 39 0.770 -7.180 2.623 254 1HG MET 39 1HG MET 39 0.373 -9.110 3.830 255 2HG MET 39 2HG MET 39 -0.444 -9.402 2.297 256 1HE MET 39 1HE MET 39 0.094 -11.517 4.378 257 2HE MET 39 2HE MET 39 -0.449 -12.192 2.842 258 3HE MET 39 3HE MET 39 0.971 -12.863 3.647 259 H TRP 40 H TRP 40 0.016 -5.677 0.261 260 HA TRP 40 HA TRP 40 2.551 -4.389 -0.496 261 1HB TRP 40 1HB TRP 40 1.266 -3.091 -2.190 262 2HB TRP 40 2HB TRP 40 1.308 -4.816 -2.547 263 HD1 TRP 40 HD1 TRP 40 -1.057 -6.163 -1.633 264 HE1 TRP 40 1HE TRP 40 -3.492 -5.349 -1.810 265 HE3 TRP 40 3HE TRP 40 -0.183 -1.201 -2.316 266 HZ2 TRP 40 2HZ TRP 40 -4.851 -2.915 -2.151 267 HZ3 TRP 40 3HZ TRP 40 -2.103 0.314 -2.531 268 HH2 TRP 40 HH2 TRP 40 -4.388 -0.528 -2.459 269 H CYS 41 H CYS 41 1.486 -1.885 -0.971 270 HA CYS 41 HA CYS 41 -0.110 -0.924 1.206 271 1HB CYS 41 1HB CYS 41 1.664 0.505 2.197 272 2HB CYS 41 2HB CYS 41 2.033 -1.207 2.394 273 H ALA 42 H ALA 42 -0.663 1.338 0.827 274 HA ALA 42 HA ALA 42 -0.284 2.063 -1.950 275 1HB ALA 42 1HB ALA 42 -1.848 3.367 0.269 276 2HB ALA 42 2HB ALA 42 -1.732 4.027 -1.361 277 3HB ALA 42 3HB ALA 42 -2.479 2.451 -1.099 278 H THR 43 H THR 43 0.783 3.868 -2.683 279 HA THR 43 HA THR 43 2.746 4.926 -0.789 280 HB THR 43 HB THR 43 4.041 5.534 -2.791 281 HG1 THR 43 1HG THR 43 2.838 5.828 -4.511 282 1HG2 THR 43 1HG2 THR 43 3.051 2.708 -3.043 283 2HG2 THR 43 2HG2 THR 43 4.632 3.343 -3.496 284 3HG2 THR 43 3HG2 THR 43 4.180 3.241 -1.795 285 H THR 44 H THR 44 -0.147 5.644 -1.424 286 HA THR 44 HA THR 44 0.233 8.539 -1.333 287 HB THR 44 HB THR 44 -1.844 8.783 -2.742 288 HG1 THR 44 1HG THR 44 -2.865 6.975 -3.046 289 1HG2 THR 44 1HG2 THR 44 -0.506 7.647 -4.854 290 2HG2 THR 44 2HG2 THR 44 -0.306 9.296 -4.257 291 3HG2 THR 44 3HG2 THR 44 0.779 8.017 -3.707 292 H ALA 45 H ALA 45 -1.411 9.620 -0.120 293 HA ALA 45 HA ALA 45 -2.313 8.277 2.165 294 1HB ALA 45 1HB ALA 45 -3.269 10.874 0.962 295 2HB ALA 45 2HB ALA 45 -3.696 10.298 2.573 296 3HB ALA 45 3HB ALA 45 -2.015 10.660 2.185 297 H ASN 46 H ASN 46 -4.043 9.020 -0.836 298 HA ASN 46 HA ASN 46 -6.136 7.167 0.089 299 1HB ASN 46 1HB ASN 46 -6.935 9.547 -0.008 300 2HB ASN 46 2HB ASN 46 -6.612 9.527 -1.742 301 1HD2 ASN 46 1HD2 ASN 46 -9.946 7.922 -0.204 302 2HD2 ASN 46 2HD2 ASN 46 -8.734 8.665 0.769 303 H TYR 47 H TYR 47 -5.842 5.373 -0.995 304 HA TYR 47 HA TYR 47 -4.525 5.289 -3.527 305 1HB TYR 47 1HB TYR 47 -4.330 3.527 -1.770 306 2HB TYR 47 2HB TYR 47 -5.991 3.061 -2.114 307 HD1 TYR 47 1HD TYR 47 -6.524 2.267 -4.501 308 HD2 TYR 47 2HD TYR 47 -2.578 2.656 -2.996 309 HE1 TYR 47 1HE TYR 47 -5.705 0.746 -6.252 310 HE2 TYR 47 2HE TYR 47 -1.756 1.141 -4.731 311 HH TYR 47 HH TYR 47 -3.803 -0.781 -6.615 312 H ASP 48 H ASP 48 -7.872 5.084 -2.478 313 HA ASP 48 HA ASP 48 -9.090 4.021 -4.689 314 1HB ASP 48 1HB ASP 48 -9.965 6.086 -2.707 315 2HB ASP 48 2HB ASP 48 -11.011 5.658 -4.055 316 H ASP 49 H ASP 49 -7.874 7.296 -4.308 317 HA ASP 49 HA ASP 49 -8.979 8.060 -6.889 318 1HB ASP 49 1HB ASP 49 -7.637 9.595 -4.683 319 2HB ASP 49 2HB ASP 49 -7.986 10.319 -6.244 320 H ASP 50 H ASP 50 -5.767 8.133 -5.311 321 HA ASP 50 HA ASP 50 -4.476 8.787 -7.796 322 1HB ASP 50 1HB ASP 50 -3.347 8.126 -5.079 323 2HB ASP 50 2HB ASP 50 -2.373 8.608 -6.462 324 H ARG 51 H ARG 51 -5.083 5.841 -6.081 325 HA ARG 51 HA ARG 51 -4.434 3.710 -6.330 326 1HB ARG 51 1HB ARG 51 -4.713 4.491 -9.207 327 2HB ARG 51 2HB ARG 51 -4.819 2.856 -8.562 328 1HG ARG 51 1HG ARG 51 -6.563 4.208 -6.982 329 2HG ARG 51 2HG ARG 51 -6.789 5.003 -8.545 330 1HD ARG 51 1HD ARG 51 -6.891 2.040 -8.064 331 2HD ARG 51 2HD ARG 51 -8.299 3.096 -8.183 332 HE ARG 51 HE ARG 51 -6.664 3.387 -10.479 333 1HH1 ARG 51 1HH1 ARG 51 -8.921 1.165 -8.987 334 2HH1 ARG 51 2HH1 ARG 51 -9.372 0.415 -10.488 335 1HH2 ARG 51 1HH2 ARG 51 -7.345 2.486 -12.461 336 2HH2 ARG 51 2HH2 ARG 51 -8.521 1.209 -12.473 337 H LYS 52 H LYS 52 -2.146 4.885 -5.695 338 HA LYS 52 HA LYS 52 -0.244 3.601 -7.514 339 1HB LYS 52 1HB LYS 52 0.041 6.121 -5.911 340 2HB LYS 52 2HB LYS 52 1.469 5.159 -6.281 341 1HG LYS 52 1HG LYS 52 0.850 5.281 -8.688 342 2HG LYS 52 2HG LYS 52 -0.450 6.388 -8.248 343 1HD LYS 52 1HD LYS 52 1.130 8.005 -7.441 344 2HD LYS 52 2HD LYS 52 2.466 6.867 -7.638 345 1HE LYS 52 1HE LYS 52 1.979 6.816 -10.083 346 2HE LYS 52 2HE LYS 52 0.773 8.078 -9.826 347 1HZ LYS 52 1HZ LYS 52 3.653 8.367 -9.134 348 2HZ LYS 52 2HZ LYS 52 2.971 8.886 -10.602 349 3HZ LYS 52 3HZ LYS 52 2.471 9.586 -9.134 350 H TRP 53 H TRP 53 0.642 1.853 -6.744 351 HA TRP 53 HA TRP 53 0.692 1.466 -3.833 352 1HB TRP 53 1HB TRP 53 -0.025 -0.815 -4.186 353 2HB TRP 53 2HB TRP 53 -1.156 0.274 -4.891 354 HD1 TRP 53 HD1 TRP 53 -0.728 0.625 -7.736 355 HE1 TRP 53 1HE TRP 53 -0.210 -1.260 -9.420 356 HE3 TRP 53 3HE TRP 53 0.888 -2.788 -4.438 357 HZ2 TRP 53 2HZ TRP 53 0.778 -3.938 -9.294 358 HZ3 TRP 53 3HZ TRP 53 1.622 -5.027 -5.244 359 HH2 TRP 53 HH2 TRP 53 1.567 -5.579 -7.631 360 H GLY 54 H GLY 54 1.901 -0.489 -3.239 361 1HA GLY 54 1HA GLY 54 4.152 -1.353 -4.768 362 2HA GLY 54 2HA GLY 54 4.606 -0.185 -3.528 363 H PHE 55 H PHE 55 4.977 -3.234 -3.848 364 HA PHE 55 HA PHE 55 3.462 -4.548 -1.901 365 1HB PHE 55 1HB PHE 55 6.184 -5.077 -3.060 366 2HB PHE 55 2HB PHE 55 5.506 -6.097 -1.808 367 HD1 PHE 55 1HD PHE 55 2.598 -5.771 -2.926 368 HD2 PHE 55 2HD PHE 55 6.323 -6.883 -4.660 369 HE1 PHE 55 1HE PHE 55 1.410 -7.161 -4.572 370 HE2 PHE 55 2HE PHE 55 5.130 -8.265 -6.314 371 HZ PHE 55 HZ PHE 55 2.681 -8.384 -6.278 372 H CYS 56 H CYS 56 4.007 -5.230 0.197 373 HA CYS 56 HA CYS 56 4.998 -3.165 1.854 374 1HB CYS 56 1HB CYS 56 3.287 -5.007 2.395 375 2HB CYS 56 2HB CYS 56 4.670 -6.057 2.665 376 HA PRO 57 HA PRO 57 9.275 -4.369 1.319 377 1HB PRO 57 1HB PRO 57 10.447 -2.273 2.410 378 2HB PRO 57 2HB PRO 57 9.587 -2.123 0.869 379 1HG PRO 57 1HG PRO 57 8.604 -1.568 3.624 380 2HG PRO 57 2HG PRO 57 8.529 -0.494 2.216 381 1HD PRO 57 1HD PRO 57 6.424 -1.993 2.983 382 2HD PRO 57 2HD PRO 57 6.770 -1.694 1.265 383 H ASP 58 H ASP 58 7.517 -4.415 3.921 384 HA ASP 58 HA ASP 58 9.500 -5.817 5.502 385 1HB ASP 58 1HB ASP 58 9.511 -3.337 6.144 386 2HB ASP 58 2HB ASP 58 7.898 -3.606 6.789 387 H GLN 59 H GLN 59 8.048 -7.527 4.756 388 HA GLN 59 HA GLN 59 5.323 -7.547 5.710 389 1HB GLN 59 1HB GLN 59 6.919 -9.800 4.478 390 2HB GLN 59 2HB GLN 59 5.173 -9.737 4.666 391 1HG GLN 59 1HG GLN 59 5.223 -7.693 3.186 392 2HG GLN 59 2HG GLN 59 6.905 -8.097 2.845 393 1HE2 GLN 59 1HE2 GLN 59 6.057 -10.324 0.356 394 2HE2 GLN 59 2HE2 GLN 59 7.206 -9.254 1.076 395 H GLY 60 H GLY 60 4.487 -8.683 7.388 396 1HA GLY 60 1HA GLY 60 5.842 -10.710 8.826 397 2HA GLY 60 2HA GLY 60 6.046 -9.167 9.643 Start of MODEL 47 1 H SER 1 1H SER 1 7.939 3.925 8.006 2 HA SER 1 HA SER 1 10.163 3.074 9.112 3 1HB SER 1 1HB SER 1 11.163 1.533 7.348 4 2HB SER 1 2HB SER 1 9.954 0.800 8.405 5 HG SER 1 HG SER 1 9.848 0.529 5.949 6 H TRP 2 H TRP 2 12.124 3.623 7.685 7 HA TRP 2 HA TRP 2 11.417 6.005 6.175 8 1HB TRP 2 1HB TRP 2 13.859 6.477 6.259 9 2HB TRP 2 2HB TRP 2 13.130 6.269 7.846 10 HD1 TRP 2 HD1 TRP 2 15.146 4.108 5.311 11 HE1 TRP 2 1HE TRP 2 16.619 2.486 6.661 12 HE3 TRP 2 3HE TRP 2 13.631 5.374 10.027 13 HZ2 TRP 2 2HZ TRP 2 17.091 1.845 9.371 14 HZ3 TRP 2 3HZ TRP 2 14.642 4.213 11.945 15 HH2 TRP 2 HH2 TRP 2 16.338 2.483 11.621 16 H MET 3 H MET 3 12.268 2.781 5.516 17 HA MET 3 HA MET 3 13.669 3.174 3.087 18 1HB MET 3 1HB MET 3 13.332 0.811 2.708 19 2HB MET 3 2HB MET 3 13.816 1.091 4.370 20 1HG MET 3 1HG MET 3 11.458 0.855 5.059 21 2HG MET 3 2HG MET 3 11.035 0.510 3.383 22 1HE MET 3 1HE MET 3 12.293 -1.110 2.024 23 2HE MET 3 2HE MET 3 13.806 -1.729 2.687 24 3HE MET 3 3HE MET 3 12.403 -2.791 2.544 25 H SER 4 H SER 4 12.853 2.251 0.982 26 HA SER 4 HA SER 4 10.289 3.516 0.381 27 1HB SER 4 1HB SER 4 12.349 2.431 -1.549 28 2HB SER 4 2HB SER 4 11.006 3.513 -1.920 29 HG SER 4 HG SER 4 12.389 5.044 -1.544 30 H THR 5 H THR 5 9.329 2.277 -1.753 31 HA THR 5 HA THR 5 8.403 -0.233 -0.675 32 HB THR 5 HB THR 5 6.923 -0.144 -2.747 33 HG1 THR 5 1HG THR 5 8.357 1.375 -3.832 34 1HG2 THR 5 1HG2 THR 5 6.123 2.328 -1.657 35 2HG2 THR 5 2HG2 THR 5 5.447 0.721 -1.373 36 3HG2 THR 5 3HG2 THR 5 6.743 1.324 -0.345 37 H VAL 6 H VAL 6 7.833 -1.868 -2.421 38 HA VAL 6 HA VAL 6 9.910 -2.430 -4.348 39 HB VAL 6 HB VAL 6 10.824 -3.821 -2.780 40 1HG1 VAL 6 1HG1 VAL 6 8.221 -3.559 -1.412 41 2HG1 VAL 6 2HG1 VAL 6 9.197 -4.973 -1.019 42 3HG1 VAL 6 3HG1 VAL 6 9.851 -3.352 -0.775 43 1HG2 VAL 6 1HG2 VAL 6 9.568 -5.257 -4.509 44 2HG2 VAL 6 2HG2 VAL 6 10.242 -6.028 -3.071 45 3HG2 VAL 6 3HG2 VAL 6 8.519 -5.660 -3.152 46 H GLY 7 H GLY 7 8.908 -4.170 -5.878 47 1HA GLY 7 1HA GLY 7 6.999 -4.984 -6.998 48 2HA GLY 7 2HA GLY 7 6.153 -4.803 -5.487 49 H GLY 8 H GLY 8 4.305 -4.001 -6.492 50 1HA GLY 8 1HA GLY 8 2.904 -2.385 -7.315 51 2HA GLY 8 2HA GLY 8 3.943 -1.292 -6.431 52 H ASN 9 H ASN 9 3.587 0.339 -7.917 53 HA ASN 9 HA ASN 9 5.018 0.005 -10.471 54 1HB ASN 9 1HB ASN 9 3.395 1.284 -11.615 55 2HB ASN 9 2HB ASN 9 2.455 0.194 -10.624 56 1HD2 ASN 9 1HD2 ASN 9 0.911 2.654 -8.802 57 2HD2 ASN 9 2HD2 ASN 9 1.253 0.979 -9.033 58 H SER 10 H SER 10 4.254 1.949 -7.685 59 HA SER 10 HA SER 10 5.385 4.382 -8.391 60 1HB SER 10 1HB SER 10 5.598 3.188 -5.629 61 2HB SER 10 2HB SER 10 5.433 4.884 -6.075 62 HG SER 10 HG SER 10 3.408 4.292 -5.503 63 H GLY 11 H GLY 11 6.938 1.501 -7.028 64 1HA GLY 11 1HA GLY 11 9.129 0.813 -7.481 65 2HA GLY 11 2HA GLY 11 9.481 2.411 -8.115 66 H GLY 12 H GLY 12 10.121 4.061 -6.700 67 1HA GLY 12 1HA GLY 12 10.970 3.051 -4.059 68 2HA GLY 12 2HA GLY 12 11.869 4.231 -4.998 69 H ALA 13 H ALA 13 8.425 4.025 -4.077 70 HA ALA 13 HA ALA 13 8.719 6.731 -2.947 71 1HB ALA 13 1HB ALA 13 6.933 5.802 -4.877 72 2HB ALA 13 2HB ALA 13 5.979 5.943 -3.400 73 3HB ALA 13 3HB ALA 13 6.862 7.341 -4.017 74 HA PRO 14 HA PRO 14 7.601 4.960 0.949 75 1HB PRO 14 1HB PRO 14 6.707 7.120 2.286 76 2HB PRO 14 2HB PRO 14 8.409 6.923 1.847 77 1HG PRO 14 1HG PRO 14 6.302 8.612 0.579 78 2HG PRO 14 2HG PRO 14 8.021 8.959 0.825 79 1HD PRO 14 1HD PRO 14 6.892 8.098 -1.557 80 2HD PRO 14 2HD PRO 14 8.609 7.959 -1.138 81 H CYS 15 H CYS 15 5.867 4.112 2.081 82 HA CYS 15 HA CYS 15 3.306 4.207 0.756 83 1HB CYS 15 1HB CYS 15 3.717 2.968 3.470 84 2HB CYS 15 2HB CYS 15 2.653 2.452 2.169 85 H VAL 16 H VAL 16 1.904 5.848 1.138 86 HA VAL 16 HA VAL 16 2.201 7.513 3.466 87 HB VAL 16 HB VAL 16 0.064 7.599 1.326 88 1HG1 VAL 16 1HG1 VAL 16 0.891 9.664 3.375 89 2HG1 VAL 16 2HG1 VAL 16 -0.288 9.905 2.086 90 3HG1 VAL 16 3HG1 VAL 16 -0.614 8.744 3.371 91 1HG2 VAL 16 1HG2 VAL 16 2.839 8.318 1.250 92 2HG2 VAL 16 2HG2 VAL 16 1.624 8.430 -0.023 93 3HG2 VAL 16 3HG2 VAL 16 1.848 9.769 1.102 94 H PHE 17 H PHE 17 1.505 6.788 5.360 95 HA PHE 17 HA PHE 17 -1.024 5.310 5.453 96 1HB PHE 17 1HB PHE 17 1.355 5.328 7.309 97 2HB PHE 17 2HB PHE 17 -0.182 4.599 7.730 98 HD1 PHE 17 1HD PHE 17 -0.262 3.893 4.482 99 HD2 PHE 17 2HD PHE 17 2.122 2.985 7.874 100 HE1 PHE 17 1HE PHE 17 0.449 1.797 3.423 101 HE2 PHE 17 2HE PHE 17 2.843 0.891 6.834 102 HZ PHE 17 HZ PHE 17 2.011 0.265 4.587 103 HA PRO 18 HA PRO 18 -2.471 4.765 6.640 104 1HB PRO 18 1HB PRO 18 -5.074 5.321 7.091 105 2HB PRO 18 2HB PRO 18 -3.940 4.934 8.388 106 1HG PRO 18 1HG PRO 18 -5.130 7.533 7.629 107 2HG PRO 18 2HG PRO 18 -4.530 6.986 9.201 108 1HD PRO 18 1HD PRO 18 -3.197 8.661 7.341 109 2HD PRO 18 2HD PRO 18 -2.528 7.976 8.835 110 H PHE 19 H PHE 19 -3.161 4.021 4.710 111 HA PHE 19 HA PHE 19 -4.212 6.035 2.831 112 1HB PHE 19 1HB PHE 19 -3.375 4.766 1.001 113 2HB PHE 19 2HB PHE 19 -2.063 4.893 2.161 114 HD1 PHE 19 1HD PHE 19 -4.472 2.637 0.564 115 HD2 PHE 19 2HD PHE 19 -1.231 2.942 3.299 116 HE1 PHE 19 1HE PHE 19 -4.164 0.200 0.472 117 HE2 PHE 19 2HE PHE 19 -0.921 0.505 3.213 118 HZ PHE 19 HZ PHE 19 -2.393 -0.873 1.793 119 H THR 20 H THR 20 -6.208 5.762 2.016 120 HA THR 20 HA THR 20 -7.726 3.558 3.163 121 HB THR 20 HB THR 20 -8.626 6.044 1.686 122 HG1 THR 20 1HG THR 20 -7.783 6.634 3.641 123 1HG2 THR 20 1HG2 THR 20 -10.776 5.490 3.027 124 2HG2 THR 20 2HG2 THR 20 -10.475 4.700 1.477 125 3HG2 THR 20 3HG2 THR 20 -10.151 3.841 2.983 126 H PHE 21 H PHE 21 -8.431 1.903 2.137 127 HA PHE 21 HA PHE 21 -8.633 1.954 -0.793 128 1HB PHE 21 1HB PHE 21 -6.577 0.669 0.215 129 2HB PHE 21 2HB PHE 21 -7.779 -0.513 0.688 130 HD1 PHE 21 1HD PHE 21 -8.597 1.166 -2.397 131 HD2 PHE 21 2HD PHE 21 -6.404 -2.045 -0.676 132 HE1 PHE 21 1HE PHE 21 -8.446 0.078 -4.589 133 HE2 PHE 21 2HE PHE 21 -6.258 -3.141 -2.848 134 HZ PHE 21 HZ PHE 21 -7.260 -2.068 -4.836 135 H LEU 22 H LEU 22 -10.392 0.811 -1.560 136 HA LEU 22 HA LEU 22 -12.587 0.319 -1.552 137 1HB LEU 22 1HB LEU 22 -11.207 -1.753 0.039 138 2HB LEU 22 2HB LEU 22 -12.779 -2.011 -0.701 139 HG LEU 22 HG LEU 22 -11.619 -2.774 -2.465 140 1HD1 LEU 22 1HD1 LEU 22 -11.770 -0.123 -2.902 141 2HD1 LEU 22 2HD1 LEU 22 -10.085 -0.513 -3.241 142 3HD1 LEU 22 3HD1 LEU 22 -11.380 -1.363 -4.090 143 1HD2 LEU 22 1HD2 LEU 22 -9.550 -2.304 -0.652 144 2HD2 LEU 22 2HD2 LEU 22 -9.711 -3.556 -1.885 145 3HD2 LEU 22 3HD2 LEU 22 -9.001 -1.997 -2.301 146 H GLY 23 H GLY 23 -12.189 2.238 0.455 147 1HA GLY 23 1HA GLY 23 -13.694 3.192 1.946 148 2HA GLY 23 2HA GLY 23 -14.484 1.639 2.114 149 H ASN 24 H ASN 24 -11.329 0.876 2.665 150 HA ASN 24 HA ASN 24 -11.716 1.351 5.545 151 1HB ASN 24 1HB ASN 24 -10.007 -0.742 4.197 152 2HB ASN 24 2HB ASN 24 -10.415 -0.643 5.902 153 1HD2 ASN 24 1HD2 ASN 24 -12.676 -2.746 3.475 154 2HD2 ASN 24 2HD2 ASN 24 -11.061 -2.226 3.156 155 H LYS 25 H LYS 25 -10.140 2.377 6.721 156 HA LYS 25 HA LYS 25 -8.024 3.663 5.280 157 1HB LYS 25 1HB LYS 25 -8.763 3.667 8.215 158 2HB LYS 25 2HB LYS 25 -7.672 4.772 7.418 159 1HG LYS 25 1HG LYS 25 -9.415 5.756 6.144 160 2HG LYS 25 2HG LYS 25 -10.548 4.497 6.645 161 1HD LYS 25 1HD LYS 25 -10.382 5.297 8.966 162 2HD LYS 25 2HD LYS 25 -9.284 6.577 8.430 163 1HE LYS 25 1HE LYS 25 -11.594 7.389 8.686 164 2HE LYS 25 2HE LYS 25 -11.023 7.518 7.024 165 1HZ LYS 25 1HZ LYS 25 -12.602 5.187 7.932 166 2HZ LYS 25 2HZ LYS 25 -13.352 6.620 7.410 167 3HZ LYS 25 3HZ LYS 25 -12.359 5.751 6.345 168 H TYR 26 H TYR 26 -6.074 2.732 5.001 169 HA TYR 26 HA TYR 26 -5.386 0.481 6.734 170 1HB TYR 26 1HB TYR 26 -4.328 1.283 4.022 171 2HB TYR 26 2HB TYR 26 -3.783 -0.114 4.940 172 HD1 TYR 26 1HD TYR 26 -6.958 -0.280 5.870 173 HD2 TYR 26 2HD TYR 26 -4.756 -0.487 2.250 174 HE1 TYR 26 1HE TYR 26 -8.732 -1.631 4.868 175 HE2 TYR 26 2HE TYR 26 -6.523 -1.844 1.239 176 HH TYR 26 HH TYR 26 -8.515 -3.533 2.561 177 H GLU 27 H GLU 27 -4.201 0.979 8.344 178 HA GLU 27 HA GLU 27 -2.313 3.169 8.251 179 1HB GLU 27 1HB GLU 27 -3.230 1.396 10.494 180 2HB GLU 27 2HB GLU 27 -2.137 2.746 10.671 181 1HG GLU 27 1HG GLU 27 -3.889 4.254 9.842 182 2HG GLU 27 2HG GLU 27 -4.984 2.877 9.739 183 H SER 28 H SER 28 -2.279 -0.027 7.547 184 HA SER 28 HA SER 28 0.607 -0.195 7.803 185 1HB SER 28 1HB SER 28 0.232 -2.633 8.455 186 2HB SER 28 2HB SER 28 -0.094 -1.439 9.704 187 HG SER 28 HG SER 28 -1.888 -3.011 8.211 188 H CYS 29 H CYS 29 0.997 -2.658 6.625 189 HA CYS 29 HA CYS 29 0.258 -2.105 3.936 190 1HB CYS 29 1HB CYS 29 1.492 -4.576 5.144 191 2HB CYS 29 2HB CYS 29 1.285 -4.312 3.430 192 H THR 30 H THR 30 -0.773 -3.778 2.572 193 HA THR 30 HA THR 30 -2.874 -5.318 3.901 194 HB THR 30 HB THR 30 -3.838 -3.032 3.458 195 HG1 THR 30 1HG THR 30 -5.364 -4.541 3.419 196 1HG2 THR 30 1HG2 THR 30 -4.013 -3.512 0.570 197 2HG2 THR 30 2HG2 THR 30 -3.803 -2.008 1.467 198 3HG2 THR 30 3HG2 THR 30 -2.415 -3.050 1.153 199 H SER 31 H SER 31 -4.200 -6.424 2.067 200 HA SER 31 HA SER 31 -2.472 -7.113 -0.196 201 1HB SER 31 1HB SER 31 -3.342 -9.509 0.086 202 2HB SER 31 2HB SER 31 -2.134 -8.964 1.260 203 HG SER 31 HG SER 31 -4.637 -9.848 1.696 204 H ALA 32 H ALA 32 -4.793 -5.402 0.450 205 HA ALA 32 HA ALA 32 -7.166 -6.412 -0.681 206 1HB ALA 32 1HB ALA 32 -6.134 -3.728 0.106 207 2HB ALA 32 2HB ALA 32 -7.528 -3.785 -0.972 208 3HB ALA 32 3HB ALA 32 -7.607 -4.557 0.613 209 H GLY 33 H GLY 33 -8.078 -6.217 -2.653 210 1HA GLY 33 1HA GLY 33 -8.257 -5.859 -4.907 211 2HA GLY 33 2HA GLY 33 -6.976 -4.668 -4.761 212 H ARG 34 H ARG 34 -5.791 -7.509 -3.487 213 HA ARG 34 HA ARG 34 -4.513 -8.088 -6.063 214 1HB ARG 34 1HB ARG 34 -3.560 -8.917 -3.324 215 2HB ARG 34 2HB ARG 34 -2.688 -9.016 -4.835 216 1HG ARG 34 1HG ARG 34 -3.158 -6.396 -4.821 217 2HG ARG 34 2HG ARG 34 -3.147 -6.701 -3.084 218 1HD ARG 34 1HD ARG 34 -0.929 -6.097 -3.978 219 2HD ARG 34 2HD ARG 34 -0.957 -7.690 -3.211 220 HE ARG 34 HE ARG 34 -0.416 -8.616 -5.233 221 1HH1 ARG 34 1HH1 ARG 34 -1.737 -5.424 -5.806 222 2HH1 ARG 34 2HH1 ARG 34 -1.362 -5.433 -7.501 223 1HH2 ARG 34 1HH2 ARG 34 0.107 -8.619 -7.458 224 2HH2 ARG 34 2HH2 ARG 34 -0.307 -7.251 -8.448 225 H SER 35 H SER 35 -5.048 -9.838 -7.106 226 HA SER 35 HA SER 35 -6.641 -11.895 -5.824 227 1HB SER 35 1HB SER 35 -5.665 -11.688 -8.687 228 2HB SER 35 2HB SER 35 -6.917 -12.780 -8.084 229 HG SER 35 HG SER 35 -7.706 -10.806 -9.103 230 H ASP 36 H ASP 36 -3.426 -11.255 -6.111 231 HA ASP 36 HA ASP 36 -2.544 -13.991 -6.471 232 1HB ASP 36 1HB ASP 36 -0.256 -12.887 -6.123 233 2HB ASP 36 2HB ASP 36 -1.130 -12.496 -7.590 234 H GLY 37 H GLY 37 -1.212 -11.681 -4.213 235 1HA GLY 37 1HA GLY 37 -2.234 -12.484 -1.833 236 2HA GLY 37 2HA GLY 37 -1.029 -13.705 -2.181 237 H LYS 38 H LYS 38 0.498 -11.257 -3.559 238 HA LYS 38 HA LYS 38 2.254 -10.828 -1.382 239 1HB LYS 38 1HB LYS 38 2.093 -8.860 -3.616 240 2HB LYS 38 2HB LYS 38 3.511 -9.546 -2.847 241 1HG LYS 38 1HG LYS 38 1.682 -10.998 -4.729 242 2HG LYS 38 2HG LYS 38 3.204 -10.262 -5.170 243 1HD LYS 38 1HD LYS 38 4.394 -11.772 -3.672 244 2HD LYS 38 2HD LYS 38 2.859 -12.489 -3.164 245 1HE LYS 38 1HE LYS 38 4.100 -12.570 -5.917 246 2HE LYS 38 2HE LYS 38 3.891 -13.924 -4.802 247 1HZ LYS 38 1HZ LYS 38 1.551 -12.394 -5.752 248 2HZ LYS 38 2HZ LYS 38 2.215 -13.639 -6.704 249 3HZ LYS 38 3HZ LYS 38 1.618 -13.980 -5.154 250 H MET 39 H MET 39 2.250 -9.295 0.211 251 HA MET 39 HA MET 39 -0.029 -7.524 0.287 252 1HB MET 39 1HB MET 39 2.205 -7.831 2.309 253 2HB MET 39 2HB MET 39 0.665 -7.021 2.543 254 1HG MET 39 1HG MET 39 -0.530 -9.099 2.362 255 2HG MET 39 2HG MET 39 0.967 -9.954 1.985 256 1HE MET 39 1HE MET 39 3.037 -8.918 3.606 257 2HE MET 39 2HE MET 39 2.962 -9.299 5.325 258 3HE MET 39 3HE MET 39 2.870 -10.594 4.130 259 H TRP 40 H TRP 40 0.068 -5.302 0.279 260 HA TRP 40 HA TRP 40 2.650 -4.080 -0.429 261 1HB TRP 40 1HB TRP 40 1.457 -2.756 -2.165 262 2HB TRP 40 2HB TRP 40 1.482 -4.485 -2.521 263 HD1 TRP 40 HD1 TRP 40 -0.961 -5.794 -1.697 264 HE1 TRP 40 1HE TRP 40 -3.365 -4.911 -1.916 265 HE3 TRP 40 3HE TRP 40 0.049 -0.830 -2.293 266 HZ2 TRP 40 2HZ TRP 40 -4.654 -2.444 -2.258 267 HZ3 TRP 40 3HZ TRP 40 -1.837 0.732 -2.531 268 HH2 TRP 40 HH2 TRP 40 -4.137 -0.064 -2.522 269 H CYS 41 H CYS 41 1.869 -1.558 -0.899 270 HA CYS 41 HA CYS 41 0.172 -0.507 1.205 271 1HB CYS 41 1HB CYS 41 1.969 0.983 2.091 272 2HB CYS 41 2HB CYS 41 2.293 -0.717 2.416 273 H ALA 42 H ALA 42 -0.675 1.497 0.559 274 HA ALA 42 HA ALA 42 -0.130 2.221 -2.174 275 1HB ALA 42 1HB ALA 42 -2.402 2.373 -1.001 276 2HB ALA 42 2HB ALA 42 -1.790 3.877 -0.305 277 3HB ALA 42 3HB ALA 42 -1.924 3.704 -2.054 278 H THR 43 H THR 43 0.758 4.120 -2.915 279 HA THR 43 HA THR 43 2.540 5.395 -0.978 280 HB THR 43 HB THR 43 3.871 6.044 -2.938 281 HG1 THR 43 1HG THR 43 2.766 6.208 -4.730 282 1HG2 THR 43 1HG2 THR 43 4.162 3.628 -3.885 283 2HG2 THR 43 2HG2 THR 43 4.601 3.989 -2.216 284 3HG2 THR 43 3HG2 THR 43 3.067 3.195 -2.572 285 H THR 44 H THR 44 -0.364 5.883 -1.604 286 HA THR 44 HA THR 44 -0.177 8.796 -1.712 287 HB THR 44 HB THR 44 -2.498 8.535 -2.974 288 HG1 THR 44 1HG THR 44 -1.090 6.175 -3.659 289 1HG2 THR 44 1HG2 THR 44 0.027 8.125 -4.550 290 2HG2 THR 44 2HG2 THR 44 -1.467 8.907 -5.075 291 3HG2 THR 44 3HG2 THR 44 -0.451 9.672 -3.853 292 H ALA 45 H ALA 45 -1.934 9.844 -0.557 293 HA ALA 45 HA ALA 45 -2.658 8.544 1.824 294 1HB ALA 45 1HB ALA 45 -3.714 11.044 0.530 295 2HB ALA 45 2HB ALA 45 -4.265 10.475 2.107 296 3HB ALA 45 3HB ALA 45 -2.573 10.904 1.867 297 H ASN 46 H ASN 46 -4.434 9.026 -1.174 298 HA ASN 46 HA ASN 46 -6.444 7.125 -0.185 299 1HB ASN 46 1HB ASN 46 -7.391 9.411 -0.418 300 2HB ASN 46 2HB ASN 46 -6.939 9.401 -2.119 301 1HD2 ASN 46 1HD2 ASN 46 -10.373 7.833 -0.914 302 2HD2 ASN 46 2HD2 ASN 46 -9.337 8.792 0.071 303 H TYR 47 H TYR 47 -5.953 5.272 -1.128 304 HA TYR 47 HA TYR 47 -4.558 5.128 -3.613 305 1HB TYR 47 1HB TYR 47 -4.298 3.444 -1.792 306 2HB TYR 47 2HB TYR 47 -5.932 2.878 -2.137 307 HD1 TYR 47 1HD TYR 47 -2.644 3.436 -3.807 308 HD2 TYR 47 2HD TYR 47 -6.249 1.187 -3.695 309 HE1 TYR 47 1HE TYR 47 -1.773 1.968 -5.570 310 HE2 TYR 47 2HE TYR 47 -5.385 -0.280 -5.464 311 HH TYR 47 HH TYR 47 -3.421 -0.958 -6.500 312 H ASP 48 H ASP 48 -7.909 4.893 -2.683 313 HA ASP 48 HA ASP 48 -8.989 3.567 -4.848 314 1HB ASP 48 1HB ASP 48 -10.113 5.777 -3.143 315 2HB ASP 48 2HB ASP 48 -11.065 4.932 -4.354 316 H ASP 49 H ASP 49 -8.071 6.940 -4.567 317 HA ASP 49 HA ASP 49 -9.172 7.616 -7.146 318 1HB ASP 49 1HB ASP 49 -7.757 9.131 -4.992 319 2HB ASP 49 2HB ASP 49 -7.883 9.832 -6.599 320 H ASP 50 H ASP 50 -5.882 8.237 -5.917 321 HA ASP 50 HA ASP 50 -4.781 8.392 -8.524 322 1HB ASP 50 1HB ASP 50 -3.723 8.572 -5.770 323 2HB ASP 50 2HB ASP 50 -2.567 8.175 -7.032 324 H ARG 51 H ARG 51 -5.265 5.671 -6.488 325 HA ARG 51 HA ARG 51 -4.461 3.563 -6.459 326 1HB ARG 51 1HB ARG 51 -4.833 3.979 -9.400 327 2HB ARG 51 2HB ARG 51 -4.824 2.423 -8.569 328 1HG ARG 51 1HG ARG 51 -6.637 3.715 -7.098 329 2HG ARG 51 2HG ARG 51 -6.889 4.529 -8.646 330 1HD ARG 51 1HD ARG 51 -6.834 1.549 -8.304 331 2HD ARG 51 2HD ARG 51 -8.308 2.514 -8.210 332 HE ARG 51 HE ARG 51 -6.967 3.111 -10.613 333 1HH1 ARG 51 1HH1 ARG 51 -8.769 0.501 -9.118 334 2HH1 ARG 51 2HH1 ARG 51 -9.333 -0.131 -10.634 335 1HH2 ARG 51 1HH2 ARG 51 -7.684 2.268 -12.584 336 2HH2 ARG 51 2HH2 ARG 51 -8.708 0.864 -12.608 337 H LYS 52 H LYS 52 -2.305 4.896 -5.956 338 HA LYS 52 HA LYS 52 -0.257 3.747 -7.711 339 1HB LYS 52 1HB LYS 52 -0.107 6.188 -5.924 340 2HB LYS 52 2HB LYS 52 1.284 5.480 -6.739 341 1HG LYS 52 1HG LYS 52 0.443 6.024 -8.872 342 2HG LYS 52 2HG LYS 52 -1.156 6.409 -8.233 343 1HD LYS 52 1HD LYS 52 -0.196 8.344 -7.054 344 2HD LYS 52 2HD LYS 52 1.395 7.943 -7.713 345 1HE LYS 52 1HE LYS 52 0.203 9.745 -8.955 346 2HE LYS 52 2HE LYS 52 0.643 8.352 -9.946 347 1HZ LYS 52 1HZ LYS 52 -1.786 7.610 -9.283 348 2HZ LYS 52 2HZ LYS 52 -2.021 9.283 -9.109 349 3HZ LYS 52 3HZ LYS 52 -1.512 8.646 -10.601 350 H TRP 53 H TRP 53 0.678 2.040 -6.894 351 HA TRP 53 HA TRP 53 0.825 1.777 -3.972 352 1HB TRP 53 1HB TRP 53 0.110 -0.509 -4.187 353 2HB TRP 53 2HB TRP 53 -1.048 0.538 -4.931 354 HD1 TRP 53 HD1 TRP 53 -0.654 0.731 -7.807 355 HE1 TRP 53 1HE TRP 53 -0.115 -1.243 -9.388 356 HE3 TRP 53 3HE TRP 53 1.036 -2.473 -4.344 357 HZ2 TRP 53 2HZ TRP 53 0.913 -3.887 -9.138 358 HZ3 TRP 53 3HZ TRP 53 1.803 -4.743 -5.042 359 HH2 TRP 53 HH2 TRP 53 1.738 -5.419 -7.389 360 H GLY 54 H GLY 54 2.068 -0.081 -3.275 361 1HA GLY 54 1HA GLY 54 4.254 -1.082 -4.858 362 2HA GLY 54 2HA GLY 54 4.752 0.072 -3.619 363 H PHE 55 H PHE 55 5.063 -2.959 -3.909 364 HA PHE 55 HA PHE 55 3.532 -4.316 -2.032 365 1HB PHE 55 1HB PHE 55 6.317 -4.666 -3.088 366 2HB PHE 55 2HB PHE 55 5.701 -5.729 -1.839 367 HD1 PHE 55 1HD PHE 55 2.803 -5.187 -3.374 368 HD2 PHE 55 2HD PHE 55 6.595 -6.879 -4.303 369 HE1 PHE 55 1HE PHE 55 1.745 -6.649 -5.057 370 HE2 PHE 55 2HE PHE 55 5.542 -8.340 -5.974 371 HZ PHE 55 HZ PHE 55 3.115 -8.220 -6.355 372 H CYS 56 H CYS 56 4.155 -5.081 0.105 373 HA CYS 56 HA CYS 56 4.737 -3.002 1.894 374 1HB CYS 56 1HB CYS 56 3.544 -5.284 2.279 375 2HB CYS 56 2HB CYS 56 5.164 -5.904 2.569 376 HA PRO 57 HA PRO 57 9.136 -2.803 1.676 377 1HB PRO 57 1HB PRO 57 9.717 -1.656 4.028 378 2HB PRO 57 2HB PRO 57 8.958 -0.766 2.698 379 1HG PRO 57 1HG PRO 57 7.666 -2.146 5.002 380 2HG PRO 57 2HG PRO 57 7.418 -0.473 4.465 381 1HD PRO 57 1HD PRO 57 5.690 -2.375 3.778 382 2HD PRO 57 2HD PRO 57 6.198 -1.166 2.577 383 H ASP 58 H ASP 58 7.565 -4.821 3.513 384 HA ASP 58 HA ASP 58 9.957 -6.316 4.248 385 1HB ASP 58 1HB ASP 58 9.097 -5.180 6.294 386 2HB ASP 58 2HB ASP 58 7.568 -6.024 6.071 387 H GLN 59 H GLN 59 9.690 -7.815 2.661 388 HA GLN 59 HA GLN 59 7.096 -9.169 2.474 389 1HB GLN 59 1HB GLN 59 9.455 -9.199 0.585 390 2HB GLN 59 2HB GLN 59 7.964 -10.090 0.337 391 1HG GLN 59 1HG GLN 59 8.133 -7.093 0.561 392 2HG GLN 59 2HG GLN 59 8.092 -7.984 -0.959 393 1HE2 GLN 59 1HE2 GLN 59 4.657 -8.154 -1.033 394 2HE2 GLN 59 2HE2 GLN 59 6.178 -8.272 -1.844 395 H GLY 60 H GLY 60 7.618 -11.587 1.564 396 1HA GLY 60 1HA GLY 60 9.722 -12.861 3.086 397 2HA GLY 60 2HA GLY 60 8.091 -13.198 3.654 Start of MODEL 48 1 H SER 1 1H SER 1 15.706 2.268 8.132 2 HA SER 1 HA SER 1 16.548 4.698 7.115 3 1HB SER 1 1HB SER 1 16.883 3.108 5.106 4 2HB SER 1 2HB SER 1 17.701 2.704 6.611 5 HG SER 1 HG SER 1 15.833 1.300 5.242 6 H TRP 2 H TRP 2 15.972 4.501 4.391 7 HA TRP 2 HA TRP 2 13.431 5.835 4.304 8 1HB TRP 2 1HB TRP 2 15.623 6.138 2.800 9 2HB TRP 2 2HB TRP 2 14.789 4.958 1.790 10 HD1 TRP 2 HD1 TRP 2 13.678 8.227 3.594 11 HE1 TRP 2 1HE TRP 2 12.287 9.615 1.929 12 HE3 TRP 2 3HE TRP 2 13.877 5.080 -0.427 13 HZ2 TRP 2 2HZ TRP 2 11.414 9.406 -0.750 14 HZ3 TRP 2 3HZ TRP 2 12.747 5.748 -2.507 15 HH2 TRP 2 HH2 TRP 2 11.539 7.866 -2.663 16 H MET 3 H MET 3 11.648 4.667 4.496 17 HA MET 3 HA MET 3 11.431 1.918 3.898 18 1HB MET 3 1HB MET 3 9.183 3.913 4.191 19 2HB MET 3 2HB MET 3 9.083 2.175 4.425 20 1HG MET 3 1HG MET 3 10.598 2.350 6.348 21 2HG MET 3 2HG MET 3 10.671 4.094 6.119 22 1HE MET 3 1HE MET 3 7.707 1.608 5.776 23 2HE MET 3 2HE MET 3 8.433 1.053 7.283 24 3HE MET 3 3HE MET 3 6.844 1.818 7.300 25 H SER 4 H SER 4 12.170 1.759 1.718 26 HA SER 4 HA SER 4 10.556 2.961 -0.379 27 1HB SER 4 1HB SER 4 12.834 0.980 -0.661 28 2HB SER 4 2HB SER 4 12.174 2.034 -1.911 29 HG SER 4 HG SER 4 13.378 2.987 0.477 30 H THR 5 H THR 5 9.733 1.557 -2.162 31 HA THR 5 HA THR 5 8.518 -0.838 -1.008 32 HB THR 5 HB THR 5 6.923 -0.457 -3.050 33 HG1 THR 5 1HG THR 5 7.335 2.228 -2.685 34 1HG2 THR 5 1HG2 THR 5 6.023 1.632 -1.490 35 2HG2 THR 5 2HG2 THR 5 5.588 -0.070 -1.333 36 3HG2 THR 5 3HG2 THR 5 6.907 0.598 -0.367 37 H VAL 6 H VAL 6 7.739 -2.354 -2.739 38 HA VAL 6 HA VAL 6 9.642 -2.919 -4.861 39 HB VAL 6 HB VAL 6 10.563 -4.455 -3.440 40 1HG1 VAL 6 1HG1 VAL 6 8.207 -3.881 -1.807 41 2HG1 VAL 6 2HG1 VAL 6 8.830 -5.524 -1.624 42 3HG1 VAL 6 3HG1 VAL 6 9.883 -4.144 -1.324 43 1HG2 VAL 6 1HG2 VAL 6 8.250 -5.689 -4.666 44 2HG2 VAL 6 2HG2 VAL 6 9.911 -6.267 -4.546 45 3HG2 VAL 6 3HG2 VAL 6 8.789 -6.523 -3.209 46 H GLY 7 H GLY 7 8.454 -4.594 -6.367 47 1HA GLY 7 1HA GLY 7 6.441 -5.234 -7.416 48 2HA GLY 7 2HA GLY 7 5.681 -5.026 -5.865 49 H GLY 8 H GLY 8 3.845 -4.085 -6.762 50 1HA GLY 8 1HA GLY 8 2.509 -2.363 -7.471 51 2HA GLY 8 2HA GLY 8 3.684 -1.350 -6.653 52 H ASN 9 H ASN 9 3.446 0.327 -8.090 53 HA ASN 9 HA ASN 9 4.897 -0.057 -10.585 54 1HB ASN 9 1HB ASN 9 3.262 1.172 -11.921 55 2HB ASN 9 2HB ASN 9 2.566 -0.287 -11.254 56 1HD2 ASN 9 1HD2 ASN 9 1.169 2.541 -8.886 57 2HD2 ASN 9 2HD2 ASN 9 2.730 1.808 -8.781 58 H SER 10 H SER 10 4.467 1.628 -7.801 59 HA SER 10 HA SER 10 5.215 4.242 -8.787 60 1HB SER 10 1HB SER 10 5.110 3.292 -5.921 61 2HB SER 10 2HB SER 10 4.987 4.943 -6.517 62 HG SER 10 HG SER 10 2.941 3.982 -5.952 63 H GLY 11 H GLY 11 6.886 1.553 -8.690 64 1HA GLY 11 1HA GLY 11 9.148 1.148 -8.756 65 2HA GLY 11 2HA GLY 11 9.415 2.861 -8.474 66 H GLY 12 H GLY 12 10.114 3.500 -6.506 67 1HA GLY 12 1HA GLY 12 9.888 1.548 -4.305 68 2HA GLY 12 2HA GLY 12 11.405 2.373 -4.641 69 H ALA 13 H ALA 13 8.193 3.835 -4.788 70 HA ALA 13 HA ALA 13 9.033 5.967 -3.061 71 1HB ALA 13 1HB ALA 13 6.307 5.343 -4.188 72 2HB ALA 13 2HB ALA 13 6.752 6.831 -3.352 73 3HB ALA 13 3HB ALA 13 7.507 6.427 -4.894 74 HA PRO 14 HA PRO 14 7.892 4.230 0.816 75 1HB PRO 14 1HB PRO 14 7.190 6.933 1.726 76 2HB PRO 14 2HB PRO 14 8.480 5.868 2.276 77 1HG PRO 14 1HG PRO 14 8.958 8.101 0.836 78 2HG PRO 14 2HG PRO 14 9.984 6.654 0.742 79 1HD PRO 14 1HD PRO 14 7.899 7.638 -1.162 80 2HD PRO 14 2HD PRO 14 9.447 6.828 -1.490 81 H CYS 15 H CYS 15 6.065 3.568 1.897 82 HA CYS 15 HA CYS 15 3.537 4.027 0.634 83 1HB CYS 15 1HB CYS 15 3.763 2.844 3.387 84 2HB CYS 15 2HB CYS 15 2.676 2.405 2.078 85 H VAL 16 H VAL 16 1.707 5.113 1.518 86 HA VAL 16 HA VAL 16 2.370 7.092 3.602 87 HB VAL 16 HB VAL 16 0.210 7.249 1.479 88 1HG1 VAL 16 1HG1 VAL 16 0.290 8.515 3.942 89 2HG1 VAL 16 2HG1 VAL 16 0.913 9.719 2.816 90 3HG1 VAL 16 3HG1 VAL 16 -0.671 8.993 2.543 91 1HG2 VAL 16 1HG2 VAL 16 2.931 7.724 1.218 92 2HG2 VAL 16 2HG2 VAL 16 1.653 8.292 0.142 93 3HG2 VAL 16 3HG2 VAL 16 2.225 9.325 1.452 94 H PHE 17 H PHE 17 1.645 6.410 5.530 95 HA PHE 17 HA PHE 17 -0.965 5.078 5.600 96 1HB PHE 17 1HB PHE 17 1.394 4.816 7.469 97 2HB PHE 17 2HB PHE 17 -0.185 4.121 7.769 98 HD1 PHE 17 1HD PHE 17 -1.060 2.861 5.423 99 HD2 PHE 17 2HD PHE 17 2.911 3.271 6.880 100 HE1 PHE 17 1HE PHE 17 -0.395 0.844 4.184 101 HE2 PHE 17 2HE PHE 17 3.601 1.266 5.645 102 HZ PHE 17 HZ PHE 17 1.949 0.021 4.271 103 HA PRO 18 HA PRO 18 -2.328 4.479 6.870 104 1HB PRO 18 1HB PRO 18 -4.898 5.394 7.616 105 2HB PRO 18 2HB PRO 18 -3.821 4.373 8.571 106 1HG PRO 18 1HG PRO 18 -4.591 6.985 9.213 107 2HG PRO 18 2HG PRO 18 -3.225 6.105 9.923 108 1HD PRO 18 1HD PRO 18 -3.241 8.152 7.740 109 2HD PRO 18 2HD PRO 18 -2.042 7.869 9.022 110 H PHE 19 H PHE 19 -3.196 3.936 4.880 111 HA PHE 19 HA PHE 19 -4.329 6.193 3.366 112 1HB PHE 19 1HB PHE 19 -3.863 5.014 1.318 113 2HB PHE 19 2HB PHE 19 -2.399 5.086 2.279 114 HD1 PHE 19 1HD PHE 19 -1.680 2.997 3.520 115 HD2 PHE 19 2HD PHE 19 -4.711 2.996 0.540 116 HE1 PHE 19 1HE PHE 19 -1.368 0.571 3.191 117 HE2 PHE 19 2HE PHE 19 -4.402 0.586 0.205 118 HZ PHE 19 HZ PHE 19 -2.724 -0.632 1.532 119 H THR 20 H THR 20 -5.860 4.875 1.506 120 HA THR 20 HA THR 20 -7.657 3.152 3.015 121 HB THR 20 HB THR 20 -8.531 5.817 1.843 122 HG1 THR 20 1HG THR 20 -7.533 5.286 4.189 123 1HG2 THR 20 1HG2 THR 20 -10.313 4.143 3.528 124 2HG2 THR 20 2HG2 THR 20 -10.709 5.371 2.323 125 3HG2 THR 20 3HG2 THR 20 -10.165 3.775 1.809 126 H PHE 21 H PHE 21 -8.421 1.616 1.793 127 HA PHE 21 HA PHE 21 -8.381 1.994 -1.128 128 1HB PHE 21 1HB PHE 21 -6.855 0.278 0.064 129 2HB PHE 21 2HB PHE 21 -8.320 -0.659 0.267 130 HD1 PHE 21 1HD PHE 21 -8.659 1.055 -2.785 131 HD2 PHE 21 2HD PHE 21 -6.593 -2.185 -0.975 132 HE1 PHE 21 1HE PHE 21 -8.292 0.043 -4.983 133 HE2 PHE 21 2HE PHE 21 -6.224 -3.201 -3.162 134 HZ PHE 21 HZ PHE 21 -7.067 -2.081 -5.191 135 H LEU 22 H LEU 22 -9.880 -0.575 -1.183 136 HA LEU 22 HA LEU 22 -12.344 0.191 -1.891 137 1HB LEU 22 1HB LEU 22 -11.663 -2.479 -0.717 138 2HB LEU 22 2HB LEU 22 -13.003 -2.139 -1.786 139 HG LEU 22 HG LEU 22 -11.546 -3.004 -3.285 140 1HD1 LEU 22 1HD1 LEU 22 -11.222 -0.146 -3.207 141 2HD1 LEU 22 2HD1 LEU 22 -9.963 -1.023 -4.076 142 3HD1 LEU 22 3HD1 LEU 22 -11.655 -1.213 -4.540 143 1HD2 LEU 22 1HD2 LEU 22 -9.913 -3.170 -1.276 144 2HD2 LEU 22 2HD2 LEU 22 -9.440 -3.501 -2.944 145 3HD2 LEU 22 3HD2 LEU 22 -9.082 -1.936 -2.225 146 H GLY 23 H GLY 23 -12.328 1.624 0.166 147 1HA GLY 23 1HA GLY 23 -13.983 2.353 1.659 148 2HA GLY 23 2HA GLY 23 -14.650 0.728 1.683 149 H ASN 24 H ASN 24 -11.305 0.577 2.213 150 HA ASN 24 HA ASN 24 -11.784 0.691 5.121 151 1HB ASN 24 1HB ASN 24 -9.979 -1.309 3.774 152 2HB ASN 24 2HB ASN 24 -10.554 -1.300 5.431 153 1HD2 ASN 24 1HD2 ASN 24 -12.577 -3.210 2.620 154 2HD2 ASN 24 2HD2 ASN 24 -10.972 -2.599 2.442 155 H LYS 25 H LYS 25 -10.266 1.678 6.344 156 HA LYS 25 HA LYS 25 -8.154 3.115 5.065 157 1HB LYS 25 1HB LYS 25 -8.933 2.742 7.961 158 2HB LYS 25 2HB LYS 25 -7.791 3.909 7.356 159 1HG LYS 25 1HG LYS 25 -9.514 5.088 6.174 160 2HG LYS 25 2HG LYS 25 -10.696 3.854 6.622 161 1HD LYS 25 1HD LYS 25 -10.525 4.421 8.932 162 2HD LYS 25 2HD LYS 25 -9.165 5.497 8.626 163 1HE LYS 25 1HE LYS 25 -11.165 6.800 8.958 164 2HE LYS 25 2HE LYS 25 -10.628 6.942 7.279 165 1HZ LYS 25 1HZ LYS 25 -12.475 4.775 7.657 166 2HZ LYS 25 2HZ LYS 25 -13.142 6.269 8.125 167 3HZ LYS 25 3HZ LYS 25 -12.530 6.064 6.551 168 H TYR 26 H TYR 26 -6.063 2.352 4.863 169 HA TYR 26 HA TYR 26 -5.424 -0.010 6.466 170 1HB TYR 26 1HB TYR 26 -4.336 0.793 3.767 171 2HB TYR 26 2HB TYR 26 -3.871 -0.637 4.680 172 HD1 TYR 26 1HD TYR 26 -6.655 -1.338 5.695 173 HD2 TYR 26 2HD TYR 26 -5.249 -0.268 1.835 174 HE1 TYR 26 1HE TYR 26 -8.465 -2.624 4.689 175 HE2 TYR 26 2HE TYR 26 -7.061 -1.543 0.826 176 HH TYR 26 HH TYR 26 -8.628 -3.791 1.981 177 H GLU 27 H GLU 27 -4.318 0.526 8.090 178 HA GLU 27 HA GLU 27 -2.481 2.760 8.105 179 1HB GLU 27 1HB GLU 27 -3.132 0.790 10.285 180 2HB GLU 27 2HB GLU 27 -2.324 2.324 10.468 181 1HG GLU 27 1HG GLU 27 -4.409 3.430 9.636 182 2HG GLU 27 2HG GLU 27 -5.193 1.855 9.743 183 H SER 28 H SER 28 -2.417 -0.591 7.675 184 HA SER 28 HA SER 28 0.508 -0.579 7.722 185 1HB SER 28 1HB SER 28 0.243 -3.061 8.281 186 2HB SER 28 2HB SER 28 -0.105 -1.937 9.590 187 HG SER 28 HG SER 28 -2.291 -2.241 9.240 188 H CYS 29 H CYS 29 0.978 -2.941 6.426 189 HA CYS 29 HA CYS 29 0.156 -2.302 3.787 190 1HB CYS 29 1HB CYS 29 1.398 -4.857 4.781 191 2HB CYS 29 2HB CYS 29 1.298 -4.333 3.117 192 H THR 30 H THR 30 -0.963 -3.764 2.362 193 HA THR 30 HA THR 30 -2.979 -5.448 3.671 194 HB THR 30 HB THR 30 -4.015 -3.209 3.282 195 HG1 THR 30 1HG THR 30 -5.302 -5.092 3.059 196 1HG2 THR 30 1HG2 THR 30 -4.345 -3.309 0.461 197 2HG2 THR 30 2HG2 THR 30 -3.650 -2.027 1.455 198 3HG2 THR 30 3HG2 THR 30 -2.621 -3.316 0.828 199 H SER 31 H SER 31 -4.202 -6.716 1.966 200 HA SER 31 HA SER 31 -2.443 -7.333 -0.297 201 1HB SER 31 1HB SER 31 -3.321 -9.726 -0.030 202 2HB SER 31 2HB SER 31 -2.143 -9.158 1.162 203 HG SER 31 HG SER 31 -3.594 -9.396 2.673 204 H ALA 32 H ALA 32 -4.735 -5.580 0.116 205 HA ALA 32 HA ALA 32 -7.062 -6.639 -1.123 206 1HB ALA 32 1HB ALA 32 -6.299 -4.244 0.184 207 2HB ALA 32 2HB ALA 32 -6.866 -3.788 -1.423 208 3HB ALA 32 3HB ALA 32 -7.914 -4.712 -0.350 209 H GLY 33 H GLY 33 -7.902 -6.285 -3.135 210 1HA GLY 33 1HA GLY 33 -7.930 -5.850 -5.384 211 2HA GLY 33 2HA GLY 33 -6.530 -4.820 -5.152 212 H ARG 34 H ARG 34 -5.468 -7.635 -3.870 213 HA ARG 34 HA ARG 34 -4.242 -8.317 -6.429 214 1HB ARG 34 1HB ARG 34 -3.538 -9.589 -3.799 215 2HB ARG 34 2HB ARG 34 -2.612 -9.519 -5.258 216 1HG ARG 34 1HG ARG 34 -2.403 -7.057 -4.929 217 2HG ARG 34 2HG ARG 34 -3.140 -7.291 -3.336 218 1HD ARG 34 1HD ARG 34 -0.630 -7.316 -3.350 219 2HD ARG 34 2HD ARG 34 -1.347 -8.743 -2.644 220 HE ARG 34 HE ARG 34 0.104 -8.529 -5.104 221 1HH1 ARG 34 1HH1 ARG 34 -1.786 -10.474 -3.015 222 2HH1 ARG 34 2HH1 ARG 34 -1.314 -11.954 -3.779 223 1HH2 ARG 34 1HH2 ARG 34 0.689 -10.298 -6.195 224 2HH2 ARG 34 2HH2 ARG 34 0.087 -11.847 -5.687 225 H SER 35 H SER 35 -3.644 -10.974 -6.209 226 HA SER 35 HA SER 35 -6.269 -12.267 -5.931 227 1HB SER 35 1HB SER 35 -4.402 -12.744 -8.257 228 2HB SER 35 2HB SER 35 -6.023 -13.404 -8.034 229 HG SER 35 HG SER 35 -5.731 -11.460 -9.441 230 H ASP 36 H ASP 36 -2.761 -12.618 -5.622 231 HA ASP 36 HA ASP 36 -3.217 -15.410 -4.927 232 1HB ASP 36 1HB ASP 36 -0.663 -15.524 -5.070 233 2HB ASP 36 2HB ASP 36 -1.602 -15.467 -6.550 234 H GLY 37 H GLY 37 -0.426 -13.608 -3.827 235 1HA GLY 37 1HA GLY 37 -1.540 -13.708 -1.157 236 2HA GLY 37 2HA GLY 37 -0.147 -14.705 -1.440 237 H LYS 38 H LYS 38 0.763 -11.906 -3.118 238 HA LYS 38 HA LYS 38 2.379 -11.165 -0.910 239 1HB LYS 38 1HB LYS 38 1.856 -9.782 -3.533 240 2HB LYS 38 2HB LYS 38 3.142 -9.362 -2.401 241 1HG LYS 38 1HG LYS 38 4.342 -10.709 -3.710 242 2HG LYS 38 2HG LYS 38 3.671 -11.973 -2.709 243 1HD LYS 38 1HD LYS 38 1.993 -12.415 -4.373 244 2HD LYS 38 2HD LYS 38 2.538 -11.046 -5.341 245 1HE LYS 38 1HE LYS 38 4.760 -12.178 -5.536 246 2HE LYS 38 2HE LYS 38 4.054 -13.588 -4.738 247 1HZ LYS 38 1HZ LYS 38 2.635 -12.521 -7.060 248 2HZ LYS 38 2HZ LYS 38 4.106 -13.312 -7.366 249 3HZ LYS 38 3HZ LYS 38 2.849 -14.132 -6.563 250 H MET 39 H MET 39 2.554 -8.907 -0.117 251 HA MET 39 HA MET 39 -0.088 -7.678 0.150 252 1HB MET 39 1HB MET 39 2.167 -7.480 2.148 253 2HB MET 39 2HB MET 39 0.507 -6.970 2.341 254 1HG MET 39 1HG MET 39 0.594 -8.889 3.603 255 2HG MET 39 2HG MET 39 -0.090 -9.446 2.075 256 1HE MET 39 1HE MET 39 0.667 -11.250 4.000 257 2HE MET 39 2HE MET 39 1.030 -12.355 2.674 258 3HE MET 39 3HE MET 39 2.226 -12.074 3.937 259 H TRP 40 H TRP 40 0.057 -5.284 0.404 260 HA TRP 40 HA TRP 40 2.525 -4.101 -0.612 261 1HB TRP 40 1HB TRP 40 1.300 -2.868 -2.385 262 2HB TRP 40 2HB TRP 40 1.289 -4.610 -2.657 263 HD1 TRP 40 HD1 TRP 40 -1.114 -5.847 -1.782 264 HE1 TRP 40 1HE TRP 40 -3.513 -4.948 -1.975 265 HE3 TRP 40 3HE TRP 40 -0.067 -0.918 -2.524 266 HZ2 TRP 40 2HZ TRP 40 -4.785 -2.471 -2.366 267 HZ3 TRP 40 3HZ TRP 40 -1.936 0.662 -2.791 268 HH2 TRP 40 HH2 TRP 40 -4.246 -0.106 -2.720 269 H CYS 41 H CYS 41 1.671 -1.586 -1.119 270 HA CYS 41 HA CYS 41 0.012 -0.564 1.020 271 1HB CYS 41 1HB CYS 41 1.814 0.903 1.920 272 2HB CYS 41 2HB CYS 41 2.132 -0.806 2.204 273 H ALA 42 H ALA 42 -0.676 1.567 0.568 274 HA ALA 42 HA ALA 42 -0.294 2.342 -2.187 275 1HB ALA 42 1HB ALA 42 -2.449 2.588 -0.681 276 2HB ALA 42 2HB ALA 42 -1.698 4.130 -0.266 277 3HB ALA 42 3HB ALA 42 -2.076 3.758 -1.948 278 H THR 43 H THR 43 0.668 4.240 -2.899 279 HA THR 43 HA THR 43 2.594 5.357 -0.998 280 HB THR 43 HB THR 43 3.840 6.079 -2.990 281 HG1 THR 43 1HG THR 43 2.819 6.239 -4.806 282 1HG2 THR 43 1HG2 THR 43 4.093 3.743 -4.072 283 2HG2 THR 43 2HG2 THR 43 4.559 3.970 -2.388 284 3HG2 THR 43 3HG2 THR 43 3.013 3.217 -2.781 285 H THR 44 H THR 44 -0.313 5.963 -1.395 286 HA THR 44 HA THR 44 -0.066 8.870 -1.372 287 HB THR 44 HB THR 44 -2.212 9.027 -2.683 288 HG1 THR 44 1HG THR 44 -3.199 7.239 -3.100 289 1HG2 THR 44 1HG2 THR 44 -0.283 7.626 -4.453 290 2HG2 THR 44 2HG2 THR 44 -1.228 9.090 -4.743 291 3HG2 THR 44 3HG2 THR 44 0.188 9.144 -3.692 292 H ALA 45 H ALA 45 -1.780 9.889 -0.135 293 HA ALA 45 HA ALA 45 -2.523 8.467 2.178 294 1HB ALA 45 1HB ALA 45 -2.375 11.043 1.658 295 2HB ALA 45 2HB ALA 45 -4.103 10.852 1.363 296 3HB ALA 45 3HB ALA 45 -3.423 10.426 2.934 297 H ASN 46 H ASN 46 -4.169 8.967 -0.842 298 HA ASN 46 HA ASN 46 -6.283 7.141 0.051 299 1HB ASN 46 1HB ASN 46 -7.268 9.400 -0.071 300 2HB ASN 46 2HB ASN 46 -6.688 9.568 -1.727 301 1HD2 ASN 46 1HD2 ASN 46 -10.141 7.749 -0.906 302 2HD2 ASN 46 2HD2 ASN 46 -9.162 8.515 0.287 303 H TYR 47 H TYR 47 -6.141 5.358 -1.121 304 HA TYR 47 HA TYR 47 -4.546 5.329 -3.515 305 1HB TYR 47 1HB TYR 47 -4.419 3.533 -1.813 306 2HB TYR 47 2HB TYR 47 -6.056 3.043 -2.249 307 HD1 TYR 47 1HD TYR 47 -2.578 3.278 -3.440 308 HD2 TYR 47 2HD TYR 47 -6.478 1.785 -4.248 309 HE1 TYR 47 1HE TYR 47 -1.669 1.898 -5.249 310 HE2 TYR 47 2HE TYR 47 -5.568 0.397 -6.065 311 HH TYR 47 HH TYR 47 -3.446 -0.579 -6.770 312 H ASP 48 H ASP 48 -7.979 5.107 -2.786 313 HA ASP 48 HA ASP 48 -8.960 4.034 -5.129 314 1HB ASP 48 1HB ASP 48 -10.107 6.175 -3.352 315 2HB ASP 48 2HB ASP 48 -10.994 5.490 -4.706 316 H ASP 49 H ASP 49 -7.966 7.358 -4.520 317 HA ASP 49 HA ASP 49 -8.856 8.324 -7.058 318 1HB ASP 49 1HB ASP 49 -7.326 9.469 -4.771 319 2HB ASP 49 2HB ASP 49 -7.293 10.303 -6.320 320 H ASP 50 H ASP 50 -5.573 8.563 -5.771 321 HA ASP 50 HA ASP 50 -4.423 8.786 -8.347 322 1HB ASP 50 1HB ASP 50 -3.220 8.486 -5.605 323 2HB ASP 50 2HB ASP 50 -2.245 8.664 -7.060 324 H ARG 51 H ARG 51 -5.075 6.008 -6.429 325 HA ARG 51 HA ARG 51 -4.353 3.868 -6.483 326 1HB ARG 51 1HB ARG 51 -4.693 4.418 -9.403 327 2HB ARG 51 2HB ARG 51 -4.783 2.844 -8.624 328 1HG ARG 51 1HG ARG 51 -6.544 4.171 -7.130 329 2HG ARG 51 2HG ARG 51 -6.723 5.054 -8.649 330 1HD ARG 51 1HD ARG 51 -6.802 2.067 -8.436 331 2HD ARG 51 2HD ARG 51 -8.240 3.084 -8.317 332 HE ARG 51 HE ARG 51 -6.842 2.362 -10.707 333 1HH1 ARG 51 1HH1 ARG 51 -8.795 4.840 -9.197 334 2HH1 ARG 51 2HH1 ARG 51 -9.302 5.547 -10.700 335 1HH2 ARG 51 1HH2 ARG 51 -7.488 3.326 -12.703 336 2HH2 ARG 51 2HH2 ARG 51 -8.545 4.704 -12.674 337 H LYS 52 H LYS 52 -2.116 5.012 -5.917 338 HA LYS 52 HA LYS 52 -0.162 3.823 -7.757 339 1HB LYS 52 1HB LYS 52 0.044 6.295 -6.050 340 2HB LYS 52 2HB LYS 52 1.492 5.405 -6.514 341 1HG LYS 52 1HG LYS 52 0.962 5.710 -8.858 342 2HG LYS 52 2HG LYS 52 -0.537 6.535 -8.441 343 1HD LYS 52 1HD LYS 52 2.231 7.496 -7.693 344 2HD LYS 52 2HD LYS 52 1.321 8.059 -9.095 345 1HE LYS 52 1HE LYS 52 -0.459 8.856 -7.601 346 2HE LYS 52 2HE LYS 52 0.490 8.337 -6.209 347 1HZ LYS 52 1HZ LYS 52 2.288 9.864 -7.295 348 2HZ LYS 52 2HZ LYS 52 0.955 10.588 -8.048 349 3HZ LYS 52 3HZ LYS 52 1.050 10.543 -6.347 350 H TRP 53 H TRP 53 0.726 2.055 -6.998 351 HA TRP 53 HA TRP 53 0.829 1.701 -4.083 352 1HB TRP 53 1HB TRP 53 -0.003 -0.525 -4.358 353 2HB TRP 53 2HB TRP 53 -1.096 0.601 -5.078 354 HD1 TRP 53 HD1 TRP 53 -0.548 0.840 -7.987 355 HE1 TRP 53 1HE TRP 53 -0.248 -1.182 -9.564 356 HE3 TRP 53 3HE TRP 53 0.575 -2.589 -4.489 357 HZ2 TRP 53 2HZ TRP 53 0.388 -3.955 -9.293 358 HZ3 TRP 53 3HZ TRP 53 1.011 -4.942 -5.176 359 HH2 TRP 53 HH2 TRP 53 0.919 -5.599 -7.532 360 H GLY 54 H GLY 54 1.982 -0.221 -3.429 361 1HA GLY 54 1HA GLY 54 4.132 -1.275 -5.022 362 2HA GLY 54 2HA GLY 54 4.680 -0.143 -3.783 363 H PHE 55 H PHE 55 4.875 -3.158 -4.120 364 HA PHE 55 HA PHE 55 3.343 -4.500 -2.229 365 1HB PHE 55 1HB PHE 55 6.047 -4.944 -3.438 366 2HB PHE 55 2HB PHE 55 5.474 -6.006 -2.163 367 HD1 PHE 55 1HD PHE 55 2.525 -5.250 -3.582 368 HD2 PHE 55 2HD PHE 55 6.147 -7.230 -4.617 369 HE1 PHE 55 1HE PHE 55 1.301 -6.641 -5.210 370 HE2 PHE 55 2HE PHE 55 4.929 -8.624 -6.241 371 HZ PHE 55 HZ PHE 55 2.508 -8.319 -6.544 372 H CYS 56 H CYS 56 4.082 -5.413 -0.177 373 HA CYS 56 HA CYS 56 4.952 -3.298 1.546 374 1HB CYS 56 1HB CYS 56 3.178 -5.035 2.068 375 2HB CYS 56 2HB CYS 56 4.492 -6.181 2.301 376 HA PRO 57 HA PRO 57 9.264 -4.426 1.565 377 1HB PRO 57 1HB PRO 57 10.135 -2.634 3.294 378 2HB PRO 57 2HB PRO 57 9.496 -2.113 1.727 379 1HG PRO 57 1HG PRO 57 8.083 -2.317 4.343 380 2HG PRO 57 2HG PRO 57 8.190 -0.897 3.285 381 1HD PRO 57 1HD PRO 57 6.057 -2.525 3.250 382 2HD PRO 57 2HD PRO 57 6.687 -1.809 1.748 383 H ASP 58 H ASP 58 10.643 -3.958 4.056 384 HA ASP 58 HA ASP 58 10.564 -6.478 5.228 385 1HB ASP 58 1HB ASP 58 12.373 -4.701 5.471 386 2HB ASP 58 2HB ASP 58 11.348 -3.958 6.692 387 H GLN 59 H GLN 59 8.736 -7.336 6.024 388 HA GLN 59 HA GLN 59 6.895 -5.696 7.567 389 1HB GLN 59 1HB GLN 59 6.645 -8.608 6.801 390 2HB GLN 59 2HB GLN 59 5.373 -7.581 7.445 391 1HG GLN 59 1HG GLN 59 5.582 -6.171 5.420 392 2HG GLN 59 2HG GLN 59 6.724 -7.347 4.773 393 1HE2 GLN 59 1HE2 GLN 59 4.212 -9.268 3.413 394 2HE2 GLN 59 2HE2 GLN 59 5.842 -8.696 3.388 395 H GLY 60 H GLY 60 6.001 -6.451 9.592 396 1HA GLY 60 1HA GLY 60 7.765 -8.220 11.128 397 2HA GLY 60 2HA GLY 60 7.445 -6.602 11.740 Start of MODEL 49 1 H SER 1 1H SER 1 13.638 8.404 8.219 2 HA SER 1 HA SER 1 13.516 6.374 7.360 3 1HB SER 1 1HB SER 1 10.570 7.081 7.423 4 2HB SER 1 2HB SER 1 11.290 5.498 7.722 5 HG SER 1 HG SER 1 10.732 6.623 9.665 6 H TRP 2 H TRP 2 14.211 5.912 5.351 7 HA TRP 2 HA TRP 2 12.482 6.629 3.085 8 1HB TRP 2 1HB TRP 2 14.698 6.190 1.775 9 2HB TRP 2 2HB TRP 2 14.469 7.706 2.639 10 HD1 TRP 2 HD1 TRP 2 15.854 4.246 3.825 11 HE1 TRP 2 1HE TRP 2 18.103 4.668 5.014 12 HE3 TRP 2 3HE TRP 2 16.158 9.313 3.200 13 HZ2 TRP 2 2HZ TRP 2 19.785 6.858 5.586 14 HZ3 TRP 2 3HZ TRP 2 18.125 10.493 4.089 15 HH2 TRP 2 HH2 TRP 2 19.901 9.291 5.261 16 H MET 3 H MET 3 11.519 4.416 4.163 17 HA MET 3 HA MET 3 12.804 2.093 3.010 18 1HB MET 3 1HB MET 3 10.695 0.925 3.877 19 2HB MET 3 2HB MET 3 11.806 1.571 5.069 20 1HG MET 3 1HG MET 3 9.439 3.156 4.150 21 2HG MET 3 2HG MET 3 9.269 1.904 5.380 22 1HE MET 3 1HE MET 3 11.522 1.716 6.872 23 2HE MET 3 2HE MET 3 12.195 3.097 7.738 24 3HE MET 3 3HE MET 3 10.609 2.465 8.183 25 H SER 4 H SER 4 12.669 1.932 0.862 26 HA SER 4 HA SER 4 10.457 2.971 -0.630 27 1HB SER 4 1HB SER 4 12.636 1.113 -1.595 28 2HB SER 4 2HB SER 4 11.637 2.182 -2.576 29 HG SER 4 HG SER 4 12.750 3.896 -1.902 30 H THR 5 H THR 5 9.064 1.751 -2.014 31 HA THR 5 HA THR 5 8.127 -0.680 -0.757 32 HB THR 5 HB THR 5 6.341 -0.453 -2.591 33 HG1 THR 5 1HG THR 5 7.053 2.232 -2.740 34 1HG2 THR 5 1HG2 THR 5 6.332 1.997 -0.921 35 2HG2 THR 5 2HG2 THR 5 5.014 0.894 -1.329 36 3HG2 THR 5 3HG2 THR 5 6.231 0.417 -0.144 37 H VAL 6 H VAL 6 7.360 -2.427 -2.150 38 HA VAL 6 HA VAL 6 9.312 -3.115 -4.259 39 HB VAL 6 HB VAL 6 7.613 -5.297 -3.383 40 1HG1 VAL 6 1HG1 VAL 6 10.591 -4.907 -3.368 41 2HG1 VAL 6 2HG1 VAL 6 9.773 -6.436 -3.047 42 3HG1 VAL 6 3HG1 VAL 6 9.624 -5.671 -4.631 43 1HG2 VAL 6 1HG2 VAL 6 8.730 -3.633 -1.272 44 2HG2 VAL 6 2HG2 VAL 6 7.499 -4.892 -1.195 45 3HG2 VAL 6 3HG2 VAL 6 9.208 -5.327 -1.166 46 H GLY 7 H GLY 7 7.862 -5.058 -5.494 47 1HA GLY 7 1HA GLY 7 6.348 -5.176 -7.271 48 2HA GLY 7 2HA GLY 7 5.227 -4.904 -5.975 49 H GLY 8 H GLY 8 3.771 -3.592 -6.563 50 1HA GLY 8 1HA GLY 8 2.647 -1.879 -7.580 51 2HA GLY 8 2HA GLY 8 3.833 -0.940 -6.701 52 H ASN 9 H ASN 9 3.790 0.706 -8.118 53 HA ASN 9 HA ASN 9 5.475 0.412 -10.435 54 1HB ASN 9 1HB ASN 9 3.902 1.475 -11.998 55 2HB ASN 9 2HB ASN 9 3.321 -0.082 -11.449 56 1HD2 ASN 9 1HD2 ASN 9 1.217 2.387 -9.241 57 2HD2 ASN 9 2HD2 ASN 9 2.821 1.829 -8.916 58 H SER 10 H SER 10 4.967 1.930 -7.744 59 HA SER 10 HA SER 10 5.050 4.677 -8.611 60 1HB SER 10 1HB SER 10 5.414 3.495 -5.848 61 2HB SER 10 2HB SER 10 5.073 5.180 -6.232 62 HG SER 10 HG SER 10 3.213 3.838 -5.624 63 H GLY 11 H GLY 11 7.282 2.295 -8.625 64 1HA GLY 11 1HA GLY 11 9.543 2.533 -9.168 65 2HA GLY 11 2HA GLY 11 9.480 4.203 -8.630 66 H GLY 12 H GLY 12 10.004 4.711 -6.539 67 1HA GLY 12 1HA GLY 12 10.559 2.485 -4.700 68 2HA GLY 12 2HA GLY 12 11.850 3.620 -5.069 69 H ALA 13 H ALA 13 8.412 4.299 -4.637 70 HA ALA 13 HA ALA 13 9.103 6.295 -2.629 71 1HB ALA 13 1HB ALA 13 7.569 6.910 -4.445 72 2HB ALA 13 2HB ALA 13 6.438 5.673 -3.900 73 3HB ALA 13 3HB ALA 13 6.802 7.053 -2.863 74 HA PRO 14 HA PRO 14 7.828 3.784 0.782 75 1HB PRO 14 1HB PRO 14 6.991 6.158 2.246 76 2HB PRO 14 2HB PRO 14 8.395 5.123 2.520 77 1HG PRO 14 1HG PRO 14 8.570 7.686 1.598 78 2HG PRO 14 2HG PRO 14 9.767 6.432 1.236 79 1HD PRO 14 1HD PRO 14 7.558 7.492 -0.481 80 2HD PRO 14 2HD PRO 14 9.201 6.994 -0.932 81 H CYS 15 H CYS 15 5.929 3.524 2.324 82 HA CYS 15 HA CYS 15 3.477 3.719 0.777 83 1HB CYS 15 1HB CYS 15 3.579 2.687 3.601 84 2HB CYS 15 2HB CYS 15 2.566 2.153 2.269 85 H VAL 16 H VAL 16 1.566 4.773 1.545 86 HA VAL 16 HA VAL 16 2.098 6.893 3.523 87 HB VAL 16 HB VAL 16 0.105 6.826 1.244 88 1HG1 VAL 16 1HG1 VAL 16 -0.878 7.870 3.248 89 2HG1 VAL 16 2HG1 VAL 16 0.489 8.981 3.318 90 3HG1 VAL 16 3HG1 VAL 16 -0.616 9.030 1.943 91 1HG2 VAL 16 1HG2 VAL 16 2.702 8.179 1.724 92 2HG2 VAL 16 2HG2 VAL 16 2.003 7.564 0.224 93 3HG2 VAL 16 3HG2 VAL 16 1.444 9.094 0.893 94 H PHE 17 H PHE 17 1.323 6.319 5.463 95 HA PHE 17 HA PHE 17 -1.193 4.814 5.553 96 1HB PHE 17 1HB PHE 17 1.121 4.935 7.489 97 2HB PHE 17 2HB PHE 17 -0.405 4.137 7.835 98 HD1 PHE 17 1HD PHE 17 -0.526 3.265 4.725 99 HD2 PHE 17 2HD PHE 17 2.200 2.784 7.948 100 HE1 PHE 17 1HE PHE 17 0.341 1.213 3.690 101 HE2 PHE 17 2HE PHE 17 3.077 0.736 6.928 102 HZ PHE 17 HZ PHE 17 2.163 -0.074 4.772 103 HA PRO 18 HA PRO 18 -2.696 4.317 6.692 104 1HB PRO 18 1HB PRO 18 -5.342 5.268 7.023 105 2HB PRO 18 2HB PRO 18 -4.399 4.330 8.180 106 1HG PRO 18 1HG PRO 18 -5.231 6.973 8.521 107 2HG PRO 18 2HG PRO 18 -3.963 6.161 9.454 108 1HD PRO 18 1HD PRO 18 -3.723 8.034 7.141 109 2HD PRO 18 2HD PRO 18 -2.679 7.861 8.569 110 H PHE 19 H PHE 19 -3.155 3.608 4.664 111 HA PHE 19 HA PHE 19 -4.199 5.614 2.789 112 1HB PHE 19 1HB PHE 19 -3.412 4.286 0.978 113 2HB PHE 19 2HB PHE 19 -2.094 4.471 2.126 114 HD1 PHE 19 1HD PHE 19 -1.382 2.541 3.492 115 HD2 PHE 19 2HD PHE 19 -4.306 2.151 0.428 116 HE1 PHE 19 1HE PHE 19 -1.023 0.110 3.465 117 HE2 PHE 19 2HE PHE 19 -3.945 -0.283 0.388 118 HZ PHE 19 HZ PHE 19 -2.294 -1.303 1.909 119 H THR 20 H THR 20 -6.191 5.533 2.159 120 HA THR 20 HA THR 20 -7.816 3.342 3.134 121 HB THR 20 HB THR 20 -8.628 5.885 1.683 122 HG1 THR 20 1HG THR 20 -7.926 6.713 3.488 123 1HG2 THR 20 1HG2 THR 20 -10.692 5.322 3.310 124 2HG2 THR 20 2HG2 THR 20 -10.613 4.859 1.611 125 3HG2 THR 20 3HG2 THR 20 -10.185 3.692 2.863 126 H PHE 21 H PHE 21 -8.387 1.679 2.035 127 HA PHE 21 HA PHE 21 -8.594 1.858 -0.900 128 1HB PHE 21 1HB PHE 21 -6.598 0.508 0.104 129 2HB PHE 21 2HB PHE 21 -7.822 -0.641 0.572 130 HD1 PHE 21 1HD PHE 21 -8.472 1.062 -2.558 131 HD2 PHE 21 2HD PHE 21 -6.560 -2.268 -0.740 132 HE1 PHE 21 1HE PHE 21 -8.301 -0.049 -4.734 133 HE2 PHE 21 2HE PHE 21 -6.386 -3.380 -2.906 134 HZ PHE 21 HZ PHE 21 -7.247 -2.260 -4.931 135 H LEU 22 H LEU 22 -10.353 0.750 -1.739 136 HA LEU 22 HA LEU 22 -12.539 0.277 -1.810 137 1HB LEU 22 1HB LEU 22 -11.230 -1.804 -0.173 138 2HB LEU 22 2HB LEU 22 -12.803 -2.042 -0.920 139 HG LEU 22 HG LEU 22 -11.692 -2.783 -2.717 140 1HD1 LEU 22 1HD1 LEU 22 -11.509 -0.093 -3.039 141 2HD1 LEU 22 2HD1 LEU 22 -9.913 -0.732 -3.436 142 3HD1 LEU 22 3HD1 LEU 22 -11.344 -1.338 -4.275 143 1HD2 LEU 22 1HD2 LEU 22 -9.702 -2.641 -0.812 144 2HD2 LEU 22 2HD2 LEU 22 -9.832 -3.728 -2.194 145 3HD2 LEU 22 3HD2 LEU 22 -9.010 -2.177 -2.368 146 H GLY 23 H GLY 23 -12.024 2.134 0.368 147 1HA GLY 23 1HA GLY 23 -13.698 3.095 1.727 148 2HA GLY 23 2HA GLY 23 -14.417 1.507 1.929 149 H ASN 24 H ASN 24 -11.342 0.725 2.549 150 HA ASN 24 HA ASN 24 -11.671 1.390 5.395 151 1HB ASN 24 1HB ASN 24 -10.216 -0.886 4.057 152 2HB ASN 24 2HB ASN 24 -10.270 -0.605 5.794 153 1HD2 ASN 24 1HD2 ASN 24 -13.218 -2.529 3.932 154 2HD2 ASN 24 2HD2 ASN 24 -11.730 -2.085 3.185 155 H LYS 25 H LYS 25 -10.128 2.465 6.478 156 HA LYS 25 HA LYS 25 -7.909 3.569 5.051 157 1HB LYS 25 1HB LYS 25 -8.733 3.737 7.957 158 2HB LYS 25 2HB LYS 25 -7.573 4.754 7.146 159 1HG LYS 25 1HG LYS 25 -9.239 5.772 5.799 160 2HG LYS 25 2HG LYS 25 -10.441 4.589 6.318 161 1HD LYS 25 1HD LYS 25 -10.326 5.472 8.597 162 2HD LYS 25 2HD LYS 25 -9.117 6.648 8.082 163 1HE LYS 25 1HE LYS 25 -11.390 7.608 8.213 164 2HE LYS 25 2HE LYS 25 -10.698 7.702 6.590 165 1HZ LYS 25 1HZ LYS 25 -12.225 5.287 7.060 166 2HZ LYS 25 2HZ LYS 25 -13.146 6.702 7.189 167 3HZ LYS 25 3HZ LYS 25 -12.290 6.379 5.761 168 H TYR 26 H TYR 26 -6.064 2.384 4.801 169 HA TYR 26 HA TYR 26 -5.566 0.254 6.720 170 1HB TYR 26 1HB TYR 26 -4.261 0.820 4.063 171 2HB TYR 26 2HB TYR 26 -3.944 -0.577 5.083 172 HD1 TYR 26 1HD TYR 26 -6.938 -0.907 5.900 173 HD2 TYR 26 2HD TYR 26 -4.971 -0.451 2.169 174 HE1 TYR 26 1HE TYR 26 -8.727 -2.161 4.801 175 HE2 TYR 26 2HE TYR 26 -6.751 -1.705 1.065 176 HH TYR 26 HH TYR 26 -9.106 -3.472 2.798 177 H GLU 27 H GLU 27 -4.424 0.686 8.345 178 HA GLU 27 HA GLU 27 -2.459 2.811 8.367 179 1HB GLU 27 1HB GLU 27 -3.583 0.973 10.454 180 2HB GLU 27 2HB GLU 27 -2.273 2.075 10.785 181 1HG GLU 27 1HG GLU 27 -3.652 3.972 10.289 182 2HG GLU 27 2HG GLU 27 -4.963 2.919 9.757 183 H SER 28 H SER 28 -2.586 -0.486 7.782 184 HA SER 28 HA SER 28 0.325 -0.693 7.984 185 1HB SER 28 1HB SER 28 -0.108 -3.141 8.491 186 2HB SER 28 2HB SER 28 -0.505 -2.028 9.793 187 HG SER 28 HG SER 28 -2.311 -3.210 7.937 188 H CYS 29 H CYS 29 0.729 -3.037 6.670 189 HA CYS 29 HA CYS 29 0.003 -2.343 4.000 190 1HB CYS 29 1HB CYS 29 1.355 -4.800 5.111 191 2HB CYS 29 2HB CYS 29 1.110 -4.509 3.401 192 H THR 30 H THR 30 -0.937 -4.031 2.539 193 HA THR 30 HA THR 30 -3.044 -5.626 3.799 194 HB THR 30 HB THR 30 -4.037 -3.355 3.353 195 HG1 THR 30 1HG THR 30 -5.539 -4.896 3.227 196 1HG2 THR 30 1HG2 THR 30 -4.527 -3.230 0.715 197 2HG2 THR 30 2HG2 THR 30 -3.237 -2.337 1.516 198 3HG2 THR 30 3HG2 THR 30 -2.879 -3.856 0.694 199 H SER 31 H SER 31 -4.314 -6.724 1.958 200 HA SER 31 HA SER 31 -2.546 -7.402 -0.276 201 1HB SER 31 1HB SER 31 -3.461 -9.789 -0.017 202 2HB SER 31 2HB SER 31 -2.262 -9.260 1.173 203 HG SER 31 HG SER 31 -5.084 -9.450 1.487 204 H ALA 32 H ALA 32 -4.910 -5.695 0.401 205 HA ALA 32 HA ALA 32 -7.267 -6.643 -0.797 206 1HB ALA 32 1HB ALA 32 -6.611 -4.440 0.653 207 2HB ALA 32 2HB ALA 32 -6.722 -3.744 -0.964 208 3HB ALA 32 3HB ALA 32 -8.105 -4.590 -0.275 209 H GLY 33 H GLY 33 -8.151 -6.381 -2.804 210 1HA GLY 33 1HA GLY 33 -8.253 -5.996 -5.071 211 2HA GLY 33 2HA GLY 33 -6.892 -4.900 -4.891 212 H ARG 34 H ARG 34 -5.870 -7.713 -3.526 213 HA ARG 34 HA ARG 34 -4.597 -8.497 -6.048 214 1HB ARG 34 1HB ARG 34 -3.724 -9.197 -3.250 215 2HB ARG 34 2HB ARG 34 -2.826 -9.404 -4.734 216 1HG ARG 34 1HG ARG 34 -3.311 -6.731 -4.774 217 2HG ARG 34 2HG ARG 34 -3.126 -7.056 -3.047 218 1HD ARG 34 1HD ARG 34 -0.995 -6.491 -4.225 219 2HD ARG 34 2HD ARG 34 -0.982 -8.041 -3.372 220 HE ARG 34 HE ARG 34 -0.719 -9.108 -5.376 221 1HH1 ARG 34 1HH1 ARG 34 -1.775 -5.822 -5.960 222 2HH1 ARG 34 2HH1 ARG 34 -1.726 -5.969 -7.690 223 1HH2 ARG 34 1HH2 ARG 34 -0.691 -9.314 -7.664 224 2HH2 ARG 34 2HH2 ARG 34 -1.090 -7.940 -8.650 225 H SER 35 H SER 35 -5.028 -10.393 -6.945 226 HA SER 35 HA SER 35 -6.728 -12.264 -5.480 227 1HB SER 35 1HB SER 35 -5.961 -12.178 -8.408 228 2HB SER 35 2HB SER 35 -7.119 -13.299 -7.686 229 HG SER 35 HG SER 35 -7.875 -11.194 -8.727 230 H ASP 36 H ASP 36 -3.533 -11.783 -5.783 231 HA ASP 36 HA ASP 36 -2.831 -14.582 -6.130 232 1HB ASP 36 1HB ASP 36 -0.441 -13.515 -5.779 233 2HB ASP 36 2HB ASP 36 -1.253 -13.447 -7.330 234 H GLY 37 H GLY 37 -1.239 -12.307 -4.038 235 1HA GLY 37 1HA GLY 37 -2.217 -13.101 -1.593 236 2HA GLY 37 2HA GLY 37 -0.924 -14.221 -1.964 237 H LYS 38 H LYS 38 0.484 -11.923 -3.452 238 HA LYS 38 HA LYS 38 2.188 -11.178 -1.374 239 1HB LYS 38 1HB LYS 38 1.781 -9.774 -4.017 240 2HB LYS 38 2HB LYS 38 3.225 -9.725 -3.008 241 1HG LYS 38 1HG LYS 38 3.917 -11.321 -4.412 242 2HG LYS 38 2HG LYS 38 3.009 -12.374 -3.345 243 1HD LYS 38 1HD LYS 38 2.256 -13.032 -5.422 244 2HD LYS 38 2HD LYS 38 1.043 -11.833 -4.979 245 1HE LYS 38 1HE LYS 38 2.126 -10.162 -6.341 246 2HE LYS 38 2HE LYS 38 3.471 -11.255 -6.675 247 1HZ LYS 38 1HZ LYS 38 1.613 -12.764 -7.619 248 2HZ LYS 38 2HZ LYS 38 0.713 -11.325 -7.723 249 3HZ LYS 38 3HZ LYS 38 2.192 -11.467 -8.557 250 H MET 39 H MET 39 2.153 -9.570 0.090 251 HA MET 39 HA MET 39 -0.159 -7.817 0.084 252 1HB MET 39 1HB MET 39 2.030 -8.114 2.152 253 2HB MET 39 2HB MET 39 0.515 -7.243 2.347 254 1HG MET 39 1HG MET 39 -0.737 -9.302 2.145 255 2HG MET 39 2HG MET 39 0.755 -10.200 1.868 256 1HE MET 39 1HE MET 39 2.731 -9.776 3.318 257 2HE MET 39 2HE MET 39 2.699 -9.071 4.937 258 3HE MET 39 3HE MET 39 2.471 -10.806 4.726 259 H TRP 40 H TRP 40 -0.049 -5.573 0.221 260 HA TRP 40 HA TRP 40 2.520 -4.340 -0.490 261 1HB TRP 40 1HB TRP 40 1.339 -2.983 -2.204 262 2HB TRP 40 2HB TRP 40 1.356 -4.701 -2.595 263 HD1 TRP 40 HD1 TRP 40 -1.071 -6.011 -1.800 264 HE1 TRP 40 1HE TRP 40 -3.473 -5.127 -2.042 265 HE3 TRP 40 3HE TRP 40 -0.050 -1.049 -2.347 266 HZ2 TRP 40 2HZ TRP 40 -4.755 -2.652 -2.392 267 HZ3 TRP 40 3HZ TRP 40 -1.920 0.516 -2.617 268 HH2 TRP 40 HH2 TRP 40 -4.229 -0.274 -2.646 269 H CYS 41 H CYS 41 1.733 -1.824 -0.923 270 HA CYS 41 HA CYS 41 -0.015 -0.801 1.131 271 1HB CYS 41 1HB CYS 41 1.753 0.640 2.147 272 2HB CYS 41 2HB CYS 41 1.998 -1.074 2.470 273 H ALA 42 H ALA 42 -0.825 1.194 0.453 274 HA ALA 42 HA ALA 42 -0.133 1.975 -2.213 275 1HB ALA 42 1HB ALA 42 -2.017 3.136 -0.188 276 2HB ALA 42 2HB ALA 42 -1.726 3.896 -1.754 277 3HB ALA 42 3HB ALA 42 -2.397 2.268 -1.677 278 H THR 43 H THR 43 0.698 3.970 -2.883 279 HA THR 43 HA THR 43 2.526 5.127 -0.915 280 HB THR 43 HB THR 43 3.803 5.918 -2.858 281 HG1 THR 43 1HG THR 43 2.863 6.032 -4.721 282 1HG2 THR 43 1HG2 THR 43 4.422 3.724 -3.825 283 2HG2 THR 43 2HG2 THR 43 4.375 3.734 -2.062 284 3HG2 THR 43 3HG2 THR 43 3.051 3.009 -2.975 285 H THR 44 H THR 44 -0.433 5.620 -1.685 286 HA THR 44 HA THR 44 -0.265 8.535 -1.494 287 HB THR 44 HB THR 44 -2.295 8.661 -2.991 288 HG1 THR 44 1HG THR 44 -3.155 6.830 -3.499 289 1HG2 THR 44 1HG2 THR 44 0.080 7.472 -4.400 290 2HG2 THR 44 2HG2 THR 44 -1.135 8.563 -5.067 291 3HG2 THR 44 3HG2 THR 44 -0.006 9.142 -3.843 292 H ALA 45 H ALA 45 -2.031 9.483 -0.361 293 HA ALA 45 HA ALA 45 -2.955 8.061 1.854 294 1HB ALA 45 1HB ALA 45 -2.775 10.520 1.738 295 2HB ALA 45 2HB ALA 45 -4.181 10.551 0.676 296 3HB ALA 45 3HB ALA 45 -4.346 9.981 2.337 297 H ASN 46 H ASN 46 -4.718 8.940 -1.115 298 HA ASN 46 HA ASN 46 -6.763 6.959 -0.348 299 1HB ASN 46 1HB ASN 46 -7.578 9.334 -0.640 300 2HB ASN 46 2HB ASN 46 -7.107 9.225 -2.335 301 1HD2 ASN 46 1HD2 ASN 46 -10.601 7.810 -1.073 302 2HD2 ASN 46 2HD2 ASN 46 -9.511 8.699 -0.078 303 H TYR 47 H TYR 47 -6.152 5.130 -1.254 304 HA TYR 47 HA TYR 47 -4.689 5.053 -3.695 305 1HB TYR 47 1HB TYR 47 -4.332 3.407 -1.908 306 2HB TYR 47 2HB TYR 47 -5.952 2.762 -2.191 307 HD1 TYR 47 1HD TYR 47 -2.586 3.162 -3.669 308 HD2 TYR 47 2HD TYR 47 -6.387 1.283 -4.019 309 HE1 TYR 47 1HE TYR 47 -1.694 1.691 -5.421 310 HE2 TYR 47 2HE TYR 47 -5.496 -0.183 -5.770 311 HH TYR 47 HH TYR 47 -2.843 -1.017 -6.288 312 H ASP 48 H ASP 48 -8.093 4.598 -2.927 313 HA ASP 48 HA ASP 48 -8.907 3.251 -5.197 314 1HB ASP 48 1HB ASP 48 -10.285 5.229 -3.426 315 2HB ASP 48 2HB ASP 48 -11.092 4.617 -4.863 316 H ASP 49 H ASP 49 -8.225 6.683 -4.819 317 HA ASP 49 HA ASP 49 -9.127 7.262 -7.511 318 1HB ASP 49 1HB ASP 49 -8.077 8.933 -5.249 319 2HB ASP 49 2HB ASP 49 -8.201 9.594 -6.875 320 H ASP 50 H ASP 50 -6.062 7.857 -5.770 321 HA ASP 50 HA ASP 50 -4.588 8.411 -8.108 322 1HB ASP 50 1HB ASP 50 -3.713 7.690 -5.316 323 2HB ASP 50 2HB ASP 50 -2.583 8.110 -6.598 324 H ARG 51 H ARG 51 -5.092 5.417 -6.341 325 HA ARG 51 HA ARG 51 -4.391 3.312 -6.638 326 1HB ARG 51 1HB ARG 51 -4.731 4.077 -9.513 327 2HB ARG 51 2HB ARG 51 -4.779 2.442 -8.861 328 1HG ARG 51 1HG ARG 51 -6.538 3.748 -7.261 329 2HG ARG 51 2HG ARG 51 -6.813 4.521 -8.830 330 1HD ARG 51 1HD ARG 51 -6.756 1.551 -8.370 331 2HD ARG 51 2HD ARG 51 -8.225 2.527 -8.334 332 HE ARG 51 HE ARG 51 -6.877 1.582 -10.649 333 1HH1 ARG 51 1HH1 ARG 51 -8.711 4.274 -9.382 334 2HH1 ARG 51 2HH1 ARG 51 -9.218 4.847 -10.942 335 1HH2 ARG 51 1HH2 ARG 51 -7.542 2.292 -12.712 336 2HH2 ARG 51 2HH2 ARG 51 -8.539 3.716 -12.850 337 H LYS 52 H LYS 52 -2.216 4.707 -6.040 338 HA LYS 52 HA LYS 52 -0.186 3.539 -7.804 339 1HB LYS 52 1HB LYS 52 0.010 6.021 -6.077 340 2HB LYS 52 2HB LYS 52 1.383 5.280 -6.896 341 1HG LYS 52 1HG LYS 52 0.629 5.881 -9.001 342 2HG LYS 52 2HG LYS 52 -1.040 6.042 -8.466 343 1HD LYS 52 1HD LYS 52 -0.252 8.232 -8.878 344 2HD LYS 52 2HD LYS 52 -0.281 8.042 -7.122 345 1HE LYS 52 1HE LYS 52 2.084 7.700 -7.055 346 2HE LYS 52 2HE LYS 52 2.170 7.604 -8.816 347 1HZ LYS 52 1HZ LYS 52 1.255 10.038 -7.371 348 2HZ LYS 52 2HZ LYS 52 2.878 9.766 -7.798 349 3HZ LYS 52 3HZ LYS 52 1.690 9.893 -9.006 350 H TRP 53 H TRP 53 0.708 1.826 -6.938 351 HA TRP 53 HA TRP 53 0.812 1.633 -4.001 352 1HB TRP 53 1HB TRP 53 0.095 -0.666 -4.214 353 2HB TRP 53 2HB TRP 53 -1.053 0.404 -4.938 354 HD1 TRP 53 HD1 TRP 53 -0.697 0.598 -7.820 355 HE1 TRP 53 1HE TRP 53 -0.262 -1.395 -9.402 356 HE3 TRP 53 3HE TRP 53 0.996 -2.640 -4.383 357 HZ2 TRP 53 2HZ TRP 53 0.739 -4.056 -9.166 358 HZ3 TRP 53 3HZ TRP 53 1.718 -4.921 -5.096 359 HH2 TRP 53 HH2 TRP 53 1.588 -5.593 -7.442 360 H GLY 54 H GLY 54 1.998 -0.344 -3.311 361 1HA GLY 54 1HA GLY 54 4.216 -1.297 -4.849 362 2HA GLY 54 2HA GLY 54 4.698 -0.155 -3.594 363 H PHE 55 H PHE 55 5.045 -3.191 -3.890 364 HA PHE 55 HA PHE 55 3.439 -4.482 -2.010 365 1HB PHE 55 1HB PHE 55 6.189 -5.047 -3.065 366 2HB PHE 55 2HB PHE 55 5.453 -6.061 -1.838 367 HD1 PHE 55 1HD PHE 55 2.608 -5.788 -2.919 368 HD2 PHE 55 2HD PHE 55 6.314 -6.705 -4.798 369 HE1 PHE 55 1HE PHE 55 1.401 -7.109 -4.613 370 HE2 PHE 55 2HE PHE 55 5.107 -8.012 -6.510 371 HZ PHE 55 HZ PHE 55 2.653 -8.210 -6.420 372 H CYS 56 H CYS 56 4.029 -5.283 0.113 373 HA CYS 56 HA CYS 56 4.773 -3.191 1.848 374 1HB CYS 56 1HB CYS 56 3.306 -5.279 2.300 375 2HB CYS 56 2HB CYS 56 4.833 -6.083 2.648 376 HA PRO 57 HA PRO 57 9.177 -3.753 1.591 377 1HB PRO 57 1HB PRO 57 9.945 -1.633 2.933 378 2HB PRO 57 2HB PRO 57 9.089 -1.450 1.390 379 1HG PRO 57 1HG PRO 57 7.985 -1.414 4.161 380 2HG PRO 57 2HG PRO 57 7.764 -0.181 2.906 381 1HD PRO 57 1HD PRO 57 5.921 -2.096 3.381 382 2HD PRO 57 2HD PRO 57 6.244 -1.496 1.736 383 H ASP 58 H ASP 58 7.372 -4.461 4.054 384 HA ASP 58 HA ASP 58 9.638 -5.297 5.729 385 1HB ASP 58 1HB ASP 58 8.454 -3.325 6.749 386 2HB ASP 58 2HB ASP 58 7.008 -4.322 6.865 387 H GLN 59 H GLN 59 9.588 -7.401 5.034 388 HA GLN 59 HA GLN 59 7.252 -8.937 5.914 389 1HB GLN 59 1HB GLN 59 8.641 -9.411 3.269 390 2HB GLN 59 2HB GLN 59 7.268 -10.305 3.905 391 1HG GLN 59 1HG GLN 59 6.021 -8.093 3.872 392 2HG GLN 59 2HG GLN 59 7.358 -7.486 2.894 393 1HE2 GLN 59 1HE2 GLN 59 4.394 -9.365 1.123 394 2HE2 GLN 59 2HE2 GLN 59 4.356 -8.615 2.683 395 H GLY 60 H GLY 60 10.008 -10.102 4.066 396 1HA GLY 60 1HA GLY 60 12.012 -11.014 5.066 397 2HA GLY 60 2HA GLY 60 11.074 -11.325 6.526 Start of MODEL 50 1 H SER 1 1H SER 1 16.646 2.066 7.162 2 HA SER 1 HA SER 1 14.996 3.783 8.828 3 1HB SER 1 1HB SER 1 16.720 4.208 6.373 4 2HB SER 1 2HB SER 1 16.017 5.471 7.384 5 HG SER 1 HG SER 1 18.176 5.112 7.984 6 H TRP 2 H TRP 2 14.580 5.300 6.181 7 HA TRP 2 HA TRP 2 11.966 4.259 5.675 8 1HB TRP 2 1HB TRP 2 13.559 6.559 4.601 9 2HB TRP 2 2HB TRP 2 12.099 6.052 3.761 10 HD1 TRP 2 HD1 TRP 2 12.907 6.695 7.522 11 HE1 TRP 2 1HE TRP 2 10.999 8.126 8.491 12 HE3 TRP 2 3HE TRP 2 10.044 7.198 3.307 13 HZ2 TRP 2 2HZ TRP 2 8.609 9.326 7.584 14 HZ3 TRP 2 3HZ TRP 2 7.966 8.513 3.441 15 HH2 TRP 2 HH2 TRP 2 7.266 9.552 5.539 16 H MET 3 H MET 3 11.493 2.606 4.441 17 HA MET 3 HA MET 3 13.332 1.847 2.273 18 1HB MET 3 1HB MET 3 11.127 0.252 3.602 19 2HB MET 3 2HB MET 3 12.245 -0.348 2.392 20 1HG MET 3 1HG MET 3 13.342 0.788 4.912 21 2HG MET 3 2HG MET 3 12.617 -0.821 4.942 22 1HE MET 3 1HE MET 3 15.570 1.403 3.783 23 2HE MET 3 2HE MET 3 16.433 0.378 2.630 24 3HE MET 3 3HE MET 3 14.872 1.070 2.201 25 H SER 4 H SER 4 12.499 1.357 0.196 26 HA SER 4 HA SER 4 10.059 2.822 -0.442 27 1HB SER 4 1HB SER 4 12.069 3.174 -1.846 28 2HB SER 4 2HB SER 4 12.045 1.474 -2.301 29 HG SER 4 HG SER 4 9.961 3.348 -2.812 30 H THR 5 H THR 5 8.649 1.748 -2.155 31 HA THR 5 HA THR 5 7.713 -0.727 -1.040 32 HB THR 5 HB THR 5 5.953 -0.489 -2.827 33 HG1 THR 5 1HG THR 5 7.686 1.187 -3.840 34 1HG2 THR 5 1HG2 THR 5 5.612 2.106 -1.777 35 2HG2 THR 5 2HG2 THR 5 4.794 0.611 -1.326 36 3HG2 THR 5 3HG2 THR 5 6.284 1.083 -0.507 37 H VAL 6 H VAL 6 7.065 -2.515 -2.397 38 HA VAL 6 HA VAL 6 9.041 -3.166 -4.501 39 HB VAL 6 HB VAL 6 7.375 -5.381 -3.618 40 1HG1 VAL 6 1HG1 VAL 6 10.254 -4.860 -4.072 41 2HG1 VAL 6 2HG1 VAL 6 9.805 -6.261 -3.103 42 3HG1 VAL 6 3HG1 VAL 6 9.200 -6.097 -4.755 43 1HG2 VAL 6 1HG2 VAL 6 8.500 -3.717 -1.516 44 2HG2 VAL 6 2HG2 VAL 6 7.300 -5.006 -1.431 45 3HG2 VAL 6 3HG2 VAL 6 9.016 -5.404 -1.432 46 H GLY 7 H GLY 7 7.597 -5.179 -5.692 47 1HA GLY 7 1HA GLY 7 6.104 -5.322 -7.479 48 2HA GLY 7 2HA GLY 7 4.973 -5.044 -6.191 49 H GLY 8 H GLY 8 3.519 -3.712 -6.797 50 1HA GLY 8 1HA GLY 8 2.452 -2.018 -7.960 51 2HA GLY 8 2HA GLY 8 3.492 -1.106 -6.900 52 H ASN 9 H ASN 9 3.888 0.619 -8.045 53 HA ASN 9 HA ASN 9 5.809 0.538 -10.129 54 1HB ASN 9 1HB ASN 9 4.449 1.618 -11.906 55 2HB ASN 9 2HB ASN 9 3.975 -0.035 -11.582 56 1HD2 ASN 9 1HD2 ASN 9 1.256 2.122 -9.683 57 2HD2 ASN 9 2HD2 ASN 9 2.858 1.815 -9.113 58 H SER 10 H SER 10 5.539 1.675 -7.603 59 HA SER 10 HA SER 10 4.774 4.365 -7.556 60 1HB SER 10 1HB SER 10 7.016 3.342 -5.860 61 2HB SER 10 2HB SER 10 5.665 4.391 -5.416 62 HG SER 10 HG SER 10 5.658 2.064 -4.714 63 H GLY 11 H GLY 11 8.119 3.118 -7.509 64 1HA GLY 11 1HA GLY 11 9.795 3.875 -9.060 65 2HA GLY 11 2HA GLY 11 8.897 5.378 -9.229 66 H GLY 12 H GLY 12 10.012 3.554 -6.389 67 1HA GLY 12 1HA GLY 12 11.654 4.140 -4.843 68 2HA GLY 12 2HA GLY 12 11.921 5.637 -5.728 69 H ALA 13 H ALA 13 8.823 4.447 -4.545 70 HA ALA 13 HA ALA 13 8.735 6.742 -2.691 71 1HB ALA 13 1HB ALA 13 7.037 6.132 -4.882 72 2HB ALA 13 2HB ALA 13 6.101 5.938 -3.399 73 3HB ALA 13 3HB ALA 13 6.914 7.469 -3.738 74 HA PRO 14 HA PRO 14 7.572 3.675 0.333 75 1HB PRO 14 1HB PRO 14 7.164 5.330 2.406 76 2HB PRO 14 2HB PRO 14 8.775 5.110 1.714 77 1HG PRO 14 1HG PRO 14 6.938 7.413 1.503 78 2HG PRO 14 2HG PRO 14 8.700 7.368 1.365 79 1HD PRO 14 1HD PRO 14 6.768 7.418 -0.756 80 2HD PRO 14 2HD PRO 14 8.535 7.345 -0.891 81 H CYS 15 H CYS 15 5.748 3.349 2.018 82 HA CYS 15 HA CYS 15 3.221 3.805 0.653 83 1HB CYS 15 1HB CYS 15 3.342 2.586 3.382 84 2HB CYS 15 2HB CYS 15 2.331 2.153 2.008 85 H VAL 16 H VAL 16 1.520 5.071 1.451 86 HA VAL 16 HA VAL 16 2.243 6.894 3.652 87 HB VAL 16 HB VAL 16 0.217 7.324 1.444 88 1HG1 VAL 16 1HG1 VAL 16 -0.373 8.426 3.581 89 2HG1 VAL 16 2HG1 VAL 16 1.183 9.260 3.543 90 3HG1 VAL 16 3HG1 VAL 16 -0.013 9.569 2.285 91 1HG2 VAL 16 1HG2 VAL 16 3.013 7.651 1.420 92 2HG2 VAL 16 2HG2 VAL 16 1.842 8.178 0.208 93 3HG2 VAL 16 3HG2 VAL 16 2.308 9.264 1.520 94 H PHE 17 H PHE 17 1.197 6.607 5.525 95 HA PHE 17 HA PHE 17 -1.432 5.306 5.447 96 1HB PHE 17 1HB PHE 17 0.772 5.073 7.496 97 2HB PHE 17 2HB PHE 17 -0.843 4.411 7.686 98 HD1 PHE 17 1HD PHE 17 -1.613 2.936 5.564 99 HD2 PHE 17 2HD PHE 17 2.382 3.652 6.825 100 HE1 PHE 17 1HE PHE 17 -0.884 0.888 4.428 101 HE2 PHE 17 2HE PHE 17 3.129 1.610 5.693 102 HZ PHE 17 HZ PHE 17 1.499 0.191 4.477 103 HA PRO 18 HA PRO 18 -2.893 4.839 6.689 104 1HB PRO 18 1HB PRO 18 -5.471 5.724 7.171 105 2HB PRO 18 2HB PRO 18 -4.417 4.967 8.363 106 1HG PRO 18 1HG PRO 18 -5.338 7.687 8.266 107 2HG PRO 18 2HG PRO 18 -4.336 6.911 9.500 108 1HD PRO 18 1HD PRO 18 -3.539 8.687 7.305 109 2HD PRO 18 2HD PRO 18 -2.633 8.217 8.753 110 H PHE 19 H PHE 19 -3.620 4.182 4.726 111 HA PHE 19 HA PHE 19 -4.540 6.327 2.931 112 1HB PHE 19 1HB PHE 19 -3.787 5.058 1.051 113 2HB PHE 19 2HB PHE 19 -2.480 5.093 2.217 114 HD1 PHE 19 1HD PHE 19 -5.153 2.972 0.788 115 HD2 PHE 19 2HD PHE 19 -1.549 3.117 3.043 116 HE1 PHE 19 1HE PHE 19 -4.921 0.527 0.577 117 HE2 PHE 19 2HE PHE 19 -1.315 0.682 2.846 118 HZ PHE 19 HZ PHE 19 -3.004 -0.618 1.597 119 H THR 20 H THR 20 -6.051 5.292 1.117 120 HA THR 20 HA THR 20 -7.973 3.552 2.509 121 HB THR 20 HB THR 20 -8.609 6.044 0.894 122 HG1 THR 20 1HG THR 20 -7.900 6.368 3.094 123 1HG2 THR 20 1HG2 THR 20 -10.551 4.250 2.314 124 2HG2 THR 20 2HG2 THR 20 -10.918 5.723 1.413 125 3HG2 THR 20 3HG2 THR 20 -10.313 4.298 0.567 126 H PHE 21 H PHE 21 -8.478 1.833 1.412 127 HA PHE 21 HA PHE 21 -8.284 1.881 -1.535 128 1HB PHE 21 1HB PHE 21 -6.453 0.521 -0.345 129 2HB PHE 21 2HB PHE 21 -7.738 -0.530 0.206 130 HD1 PHE 21 1HD PHE 21 -6.519 0.938 -2.993 131 HD2 PHE 21 2HD PHE 21 -8.184 -2.422 -1.002 132 HE1 PHE 21 1HE PHE 21 -6.271 -0.383 -5.034 133 HE2 PHE 21 2HE PHE 21 -7.942 -3.749 -3.043 134 HZ PHE 21 HZ PHE 21 -6.990 -2.736 -5.078 135 H LEU 22 H LEU 22 -9.940 0.936 -2.558 136 HA LEU 22 HA LEU 22 -12.129 0.465 -2.856 137 1HB LEU 22 1HB LEU 22 -10.554 -1.689 -1.629 138 2HB LEU 22 2HB LEU 22 -12.223 -2.014 -2.060 139 HG LEU 22 HG LEU 22 -10.510 -2.630 -3.792 140 1HD1 LEU 22 1HD1 LEU 22 -12.988 -1.834 -4.024 141 2HD1 LEU 22 2HD1 LEU 22 -12.202 -0.530 -4.917 142 3HD1 LEU 22 3HD1 LEU 22 -11.982 -2.205 -5.429 143 1HD2 LEU 22 1HD2 LEU 22 -9.335 -0.311 -3.371 144 2HD2 LEU 22 2HD2 LEU 22 -9.295 -1.123 -4.937 145 3HD2 LEU 22 3HD2 LEU 22 -10.450 0.178 -4.649 146 H GLY 23 H GLY 23 -12.180 2.133 -0.769 147 1HA GLY 23 1HA GLY 23 -13.913 2.843 0.614 148 2HA GLY 23 2HA GLY 23 -14.551 1.214 0.613 149 H ASN 24 H ASN 24 -11.430 0.679 1.568 150 HA ASN 24 HA ASN 24 -12.233 0.990 4.396 151 1HB ASN 24 1HB ASN 24 -10.205 -0.893 3.177 152 2HB ASN 24 2HB ASN 24 -10.670 -0.826 4.866 153 1HD2 ASN 24 1HD2 ASN 24 -12.765 -2.968 2.236 154 2HD2 ASN 24 2HD2 ASN 24 -11.272 -2.175 1.874 155 H LYS 25 H LYS 25 -10.609 1.545 5.955 156 HA LYS 25 HA LYS 25 -8.614 3.384 4.933 157 1HB LYS 25 1HB LYS 25 -9.543 2.839 7.759 158 2HB LYS 25 2HB LYS 25 -8.603 4.193 7.201 159 1HG LYS 25 1HG LYS 25 -11.454 3.623 6.468 160 2HG LYS 25 2HG LYS 25 -10.898 4.865 7.594 161 1HD LYS 25 1HD LYS 25 -9.865 6.109 5.850 162 2HD LYS 25 2HD LYS 25 -10.047 4.780 4.705 163 1HE LYS 25 1HE LYS 25 -11.675 6.621 4.363 164 2HE LYS 25 2HE LYS 25 -12.430 5.057 4.662 165 1HZ LYS 25 1HZ LYS 25 -11.971 7.023 6.837 166 2HZ LYS 25 2HZ LYS 25 -13.374 7.061 5.880 167 3HZ LYS 25 3HZ LYS 25 -13.025 5.686 6.826 168 H TYR 26 H TYR 26 -6.471 2.717 4.884 169 HA TYR 26 HA TYR 26 -5.831 0.287 6.405 170 1HB TYR 26 1HB TYR 26 -4.635 1.344 3.843 171 2HB TYR 26 2HB TYR 26 -4.106 -0.106 4.688 172 HD1 TYR 26 1HD TYR 26 -7.124 1.415 3.101 173 HD2 TYR 26 2HD TYR 26 -5.091 -2.147 4.186 174 HE1 TYR 26 1HE TYR 26 -8.796 0.097 1.900 175 HE2 TYR 26 2HE TYR 26 -6.742 -3.473 2.978 176 HH TYR 26 HH TYR 26 -8.850 -3.416 2.073 177 H GLU 27 H GLU 27 -4.578 0.504 8.006 178 HA GLU 27 HA GLU 27 -2.862 2.841 8.301 179 1HB GLU 27 1HB GLU 27 -3.657 0.687 10.251 180 2HB GLU 27 2HB GLU 27 -2.728 2.111 10.632 181 1HG GLU 27 1HG GLU 27 -4.618 3.528 10.068 182 2HG GLU 27 2HG GLU 27 -5.560 2.100 9.648 183 H SER 28 H SER 28 -2.775 -0.500 7.616 184 HA SER 28 HA SER 28 0.150 -0.467 7.715 185 1HB SER 28 1HB SER 28 -0.054 -2.935 8.253 186 2HB SER 28 2HB SER 28 -0.493 -1.852 9.556 187 HG SER 28 HG SER 28 -2.008 -3.674 8.191 188 H CYS 29 H CYS 29 0.730 -2.782 6.409 189 HA CYS 29 HA CYS 29 -0.074 -2.182 3.750 190 1HB CYS 29 1HB CYS 29 1.332 -4.623 4.821 191 2HB CYS 29 2HB CYS 29 1.149 -4.228 3.128 192 H THR 30 H THR 30 -1.054 -3.812 2.314 193 HA THR 30 HA THR 30 -3.048 -5.507 3.645 194 HB THR 30 HB THR 30 -4.118 -3.283 3.230 195 HG1 THR 30 1HG THR 30 -5.599 -4.811 3.101 196 1HG2 THR 30 1HG2 THR 30 -4.641 -2.728 0.859 197 2HG2 THR 30 2HG2 THR 30 -2.957 -2.479 1.310 198 3HG2 THR 30 3HG2 THR 30 -3.414 -3.895 0.365 199 H SER 31 H SER 31 -4.152 -6.924 2.093 200 HA SER 31 HA SER 31 -2.497 -7.470 -0.272 201 1HB SER 31 1HB SER 31 -3.274 -9.869 -0.006 202 2HB SER 31 2HB SER 31 -2.195 -9.294 1.273 203 HG SER 31 HG SER 31 -3.725 -9.940 2.560 204 H ALA 32 H ALA 32 -4.816 -5.758 0.373 205 HA ALA 32 HA ALA 32 -7.229 -6.679 -0.654 206 1HB ALA 32 1HB ALA 32 -6.286 -4.325 0.453 207 2HB ALA 32 2HB ALA 32 -6.705 -3.856 -1.194 208 3HB ALA 32 3HB ALA 32 -7.924 -4.592 -0.156 209 H GLY 33 H GLY 33 -8.196 -6.646 -2.606 210 1HA GLY 33 1HA GLY 33 -8.433 -6.497 -4.886 211 2HA GLY 33 2HA GLY 33 -7.050 -5.414 -4.908 212 H ARG 34 H ARG 34 -5.824 -7.963 -3.353 213 HA ARG 34 HA ARG 34 -4.834 -9.084 -5.866 214 1HB ARG 34 1HB ARG 34 -3.680 -9.449 -3.105 215 2HB ARG 34 2HB ARG 34 -2.919 -9.813 -4.635 216 1HG ARG 34 1HG ARG 34 -3.275 -7.243 -5.063 217 2HG ARG 34 2HG ARG 34 -3.308 -7.199 -3.301 218 1HD ARG 34 1HD ARG 34 -1.049 -6.819 -4.241 219 2HD ARG 34 2HD ARG 34 -1.130 -8.233 -3.182 220 HE ARG 34 HE ARG 34 -0.589 -9.554 -4.970 221 1HH1 ARG 34 1HH1 ARG 34 -1.643 -6.420 -6.165 222 2HH1 ARG 34 2HH1 ARG 34 -1.280 -6.785 -7.825 223 1HH2 ARG 34 1HH2 ARG 34 -0.113 -10.036 -7.156 224 2HH2 ARG 34 2HH2 ARG 34 -0.370 -8.829 -8.380 225 H SER 35 H SER 35 -4.731 -11.286 -6.233 226 HA SER 35 HA SER 35 -6.546 -12.892 -4.565 227 1HB SER 35 1HB SER 35 -7.236 -12.512 -6.941 228 2HB SER 35 2HB SER 35 -5.769 -13.344 -7.462 229 HG SER 35 HG SER 35 -6.527 -15.230 -6.608 230 H ASP 36 H ASP 36 -3.334 -12.392 -5.190 231 HA ASP 36 HA ASP 36 -2.513 -15.167 -5.058 232 1HB ASP 36 1HB ASP 36 -0.176 -13.925 -4.877 233 2HB ASP 36 2HB ASP 36 -1.000 -14.122 -6.411 234 H GLY 37 H GLY 37 -1.128 -12.501 -3.305 235 1HA GLY 37 1HA GLY 37 -2.016 -13.014 -0.765 236 2HA GLY 37 2HA GLY 37 -0.657 -14.099 -0.992 237 H LYS 38 H LYS 38 0.638 -12.071 -2.810 238 HA LYS 38 HA LYS 38 2.379 -10.891 -1.041 239 1HB LYS 38 1HB LYS 38 1.541 -9.997 -3.803 240 2HB LYS 38 2HB LYS 38 2.968 -9.417 -2.960 241 1HG LYS 38 1HG LYS 38 3.651 -11.058 -4.514 242 2HG LYS 38 2HG LYS 38 3.802 -11.762 -2.915 243 1HD LYS 38 1HD LYS 38 1.745 -13.005 -3.262 244 2HD LYS 38 2HD LYS 38 1.526 -12.240 -4.841 245 1HE LYS 38 1HE LYS 38 2.516 -14.573 -4.848 246 2HE LYS 38 2HE LYS 38 3.417 -13.342 -5.735 247 1HZ LYS 38 1HZ LYS 38 4.060 -13.971 -2.917 248 2HZ LYS 38 2HZ LYS 38 4.717 -14.890 -4.188 249 3HZ LYS 38 3HZ LYS 38 5.040 -13.225 -4.087 250 H MET 39 H MET 39 2.037 -9.350 0.457 251 HA MET 39 HA MET 39 -0.280 -7.637 0.214 252 1HB MET 39 1HB MET 39 1.862 -7.591 2.359 253 2HB MET 39 2HB MET 39 0.265 -6.869 2.429 254 1HG MET 39 1HG MET 39 -0.694 -9.168 2.247 255 2HG MET 39 2HG MET 39 0.948 -9.780 2.441 256 1HE MET 39 1HE MET 39 2.213 -7.723 4.265 257 2HE MET 39 2HE MET 39 1.814 -8.076 5.950 258 3HE MET 39 3HE MET 39 2.389 -9.362 4.889 259 H TRP 40 H TRP 40 -0.260 -5.451 -0.037 260 HA TRP 40 HA TRP 40 2.301 -4.196 -0.758 261 1HB TRP 40 1HB TRP 40 1.087 -2.951 -2.530 262 2HB TRP 40 2HB TRP 40 1.104 -4.687 -2.828 263 HD1 TRP 40 HD1 TRP 40 -1.318 -5.972 -1.979 264 HE1 TRP 40 1HE TRP 40 -3.725 -5.095 -2.231 265 HE3 TRP 40 3HE TRP 40 -0.302 -1.029 -2.713 266 HZ2 TRP 40 2HZ TRP 40 -5.015 -2.633 -2.647 267 HZ3 TRP 40 3HZ TRP 40 -2.182 0.530 -3.000 268 HH2 TRP 40 HH2 TRP 40 -4.482 -0.257 -2.974 269 H CYS 41 H CYS 41 1.374 -1.671 -1.268 270 HA CYS 41 HA CYS 41 -0.328 -0.707 0.838 271 1HB CYS 41 1HB CYS 41 1.483 0.759 1.817 272 2HB CYS 41 2HB CYS 41 1.666 -0.957 2.177 273 H ALA 42 H ALA 42 -0.979 1.463 0.425 274 HA ALA 42 HA ALA 42 -0.509 2.330 -2.282 275 1HB ALA 42 1HB ALA 42 -2.504 2.790 -0.329 276 2HB ALA 42 2HB ALA 42 -1.806 4.354 -0.752 277 3HB ALA 42 3HB ALA 42 -2.480 3.320 -2.012 278 H THR 43 H THR 43 0.651 4.120 -2.929 279 HA THR 43 HA THR 43 2.576 5.068 -0.954 280 HB THR 43 HB THR 43 3.867 5.829 -2.901 281 HG1 THR 43 1HG THR 43 2.669 6.253 -4.598 282 1HG2 THR 43 1HG2 THR 43 3.176 3.158 -3.860 283 2HG2 THR 43 2HG2 THR 43 4.707 3.794 -3.255 284 3HG2 THR 43 3HG2 THR 43 3.473 3.244 -2.123 285 H THR 44 H THR 44 -0.303 5.930 -1.425 286 HA THR 44 HA THR 44 0.227 8.790 -1.209 287 HB THR 44 HB THR 44 -1.813 9.243 -2.589 288 HG1 THR 44 1HG THR 44 -2.968 7.647 -3.277 289 1HG2 THR 44 1HG2 THR 44 0.230 7.701 -4.163 290 2HG2 THR 44 2HG2 THR 44 -0.824 8.994 -4.736 291 3HG2 THR 44 3HG2 THR 44 0.467 9.351 -3.588 292 H ALA 45 H ALA 45 -1.597 9.944 -0.177 293 HA ALA 45 HA ALA 45 -2.489 8.580 2.129 294 1HB ALA 45 1HB ALA 45 -3.332 11.226 0.956 295 2HB ALA 45 2HB ALA 45 -3.870 10.628 2.525 296 3HB ALA 45 3HB ALA 45 -2.157 10.942 2.242 297 H ASN 46 H ASN 46 -3.950 9.112 -0.991 298 HA ASN 46 HA ASN 46 -6.192 7.426 -0.139 299 1HB ASN 46 1HB ASN 46 -6.943 9.812 -0.264 300 2HB ASN 46 2HB ASN 46 -6.481 9.834 -1.961 301 1HD2 ASN 46 1HD2 ASN 46 -10.026 8.443 -0.831 302 2HD2 ASN 46 2HD2 ASN 46 -8.924 9.232 0.230 303 H TYR 47 H TYR 47 -6.072 5.625 -1.278 304 HA TYR 47 HA TYR 47 -4.569 5.513 -3.731 305 1HB TYR 47 1HB TYR 47 -4.562 3.697 -1.989 306 2HB TYR 47 2HB TYR 47 -6.210 3.311 -2.480 307 HD1 TYR 47 1HD TYR 47 -2.684 3.218 -3.454 308 HD2 TYR 47 2HD TYR 47 -6.656 2.259 -4.616 309 HE1 TYR 47 1HE TYR 47 -1.810 1.769 -5.231 310 HE2 TYR 47 2HE TYR 47 -5.794 0.804 -6.390 311 HH TYR 47 HH TYR 47 -3.970 0.265 -7.594 312 H ASP 48 H ASP 48 -7.963 5.291 -2.784 313 HA ASP 48 HA ASP 48 -9.177 4.361 -5.040 314 1HB ASP 48 1HB ASP 48 -10.033 6.480 -3.087 315 2HB ASP 48 2HB ASP 48 -11.069 6.001 -4.427 316 H ASP 49 H ASP 49 -7.891 7.589 -4.535 317 HA ASP 49 HA ASP 49 -8.813 8.454 -7.161 318 1HB ASP 49 1HB ASP 49 -7.600 9.861 -4.806 319 2HB ASP 49 2HB ASP 49 -7.675 10.636 -6.382 320 H ASP 50 H ASP 50 -5.720 8.452 -5.377 321 HA ASP 50 HA ASP 50 -4.164 9.135 -7.627 322 1HB ASP 50 1HB ASP 50 -3.439 7.950 -4.957 323 2HB ASP 50 2HB ASP 50 -2.232 8.323 -6.183 324 H ARG 51 H ARG 51 -4.828 5.976 -6.155 325 HA ARG 51 HA ARG 51 -4.492 3.877 -6.824 326 1HB ARG 51 1HB ARG 51 -4.746 5.189 -9.501 327 2HB ARG 51 2HB ARG 51 -4.765 3.449 -9.245 328 1HG ARG 51 1HG ARG 51 -6.526 4.640 -7.406 329 2HG ARG 51 2HG ARG 51 -6.909 5.267 -9.016 330 1HD ARG 51 1HD ARG 51 -6.640 2.383 -8.218 331 2HD ARG 51 2HD ARG 51 -8.159 3.244 -8.477 332 HE ARG 51 HE ARG 51 -6.666 3.530 -10.801 333 1HH1 ARG 51 1HH1 ARG 51 -8.119 0.918 -8.987 334 2HH1 ARG 51 2HH1 ARG 51 -8.398 -0.063 -10.388 335 1HH2 ARG 51 1HH2 ARG 51 -6.903 2.225 -12.611 336 2HH2 ARG 51 2HH2 ARG 51 -7.658 0.667 -12.473 337 H LYS 52 H LYS 52 -2.127 5.108 -6.118 338 HA LYS 52 HA LYS 52 -0.240 3.796 -7.933 339 1HB LYS 52 1HB LYS 52 0.185 6.212 -6.159 340 2HB LYS 52 2HB LYS 52 1.512 5.307 -6.881 341 1HG LYS 52 1HG LYS 52 1.319 6.627 -8.659 342 2HG LYS 52 2HG LYS 52 -0.205 5.807 -8.996 343 1HD LYS 52 1HD LYS 52 -0.717 8.089 -9.031 344 2HD LYS 52 2HD LYS 52 -1.288 7.510 -7.465 345 1HE LYS 52 1HE LYS 52 0.642 8.433 -6.369 346 2HE LYS 52 2HE LYS 52 1.372 8.859 -7.917 347 1HZ LYS 52 1HZ LYS 52 -0.803 10.216 -8.224 348 2HZ LYS 52 2HZ LYS 52 -0.899 10.132 -6.530 349 3HZ LYS 52 3HZ LYS 52 0.450 10.851 -7.265 350 H TRP 53 H TRP 53 0.621 2.025 -7.140 351 HA TRP 53 HA TRP 53 0.648 1.672 -4.224 352 1HB TRP 53 1HB TRP 53 -0.233 -0.541 -4.505 353 2HB TRP 53 2HB TRP 53 -1.276 0.584 -5.282 354 HD1 TRP 53 HD1 TRP 53 -0.745 0.778 -8.153 355 HE1 TRP 53 1HE TRP 53 -0.299 -1.225 -9.724 356 HE3 TRP 53 3HE TRP 53 0.514 -2.599 -4.652 357 HZ2 TRP 53 2HZ TRP 53 0.477 -3.955 -9.450 358 HZ3 TRP 53 3HZ TRP 53 1.111 -4.915 -5.329 359 HH2 TRP 53 HH2 TRP 53 1.091 -5.567 -7.695 360 H GLY 54 H GLY 54 1.784 -0.282 -3.559 361 1HA GLY 54 1HA GLY 54 3.928 -1.344 -5.135 362 2HA GLY 54 2HA GLY 54 4.484 -0.183 -3.931 363 H PHE 55 H PHE 55 4.748 -3.222 -4.151 364 HA PHE 55 HA PHE 55 3.177 -4.442 -2.177 365 1HB PHE 55 1HB PHE 55 5.914 -5.084 -3.252 366 2HB PHE 55 2HB PHE 55 5.133 -6.065 -2.043 367 HD1 PHE 55 1HD PHE 55 2.318 -5.587 -3.351 368 HD2 PHE 55 2HD PHE 55 6.089 -6.916 -4.792 369 HE1 PHE 55 1HE PHE 55 1.176 -6.929 -5.073 370 HE2 PHE 55 2HE PHE 55 4.956 -8.249 -6.529 371 HZ PHE 55 HZ PHE 55 2.494 -8.251 -6.668 372 H CYS 56 H CYS 56 3.793 -5.161 -0.053 373 HA CYS 56 HA CYS 56 4.913 -3.099 1.570 374 1HB CYS 56 1HB CYS 56 3.168 -5.004 2.151 375 2HB CYS 56 2HB CYS 56 4.612 -5.948 2.497 376 HA PRO 57 HA PRO 57 9.080 -4.490 0.820 377 1HB PRO 57 1HB PRO 57 10.438 -2.643 2.091 378 2HB PRO 57 2HB PRO 57 9.416 -2.184 0.715 379 1HG PRO 57 1HG PRO 57 8.744 -2.189 3.614 380 2HG PRO 57 2HG PRO 57 8.653 -0.804 2.504 381 1HD PRO 57 1HD PRO 57 6.474 -2.281 3.063 382 2HD PRO 57 2HD PRO 57 6.761 -1.682 1.410 383 H ASP 58 H ASP 58 11.144 -4.192 2.522 384 HA ASP 58 HA ASP 58 12.320 -5.579 3.904 385 1HB ASP 58 1HB ASP 58 11.716 -3.576 5.205 386 2HB ASP 58 2HB ASP 58 10.305 -4.428 5.821 387 H GLN 59 H GLN 59 11.194 -7.453 2.690 388 HA GLN 59 HA GLN 59 9.691 -9.072 4.629 389 1HB GLN 59 1HB GLN 59 9.818 -9.278 1.616 390 2HB GLN 59 2HB GLN 59 9.027 -10.461 2.645 391 1HG GLN 59 1HG GLN 59 7.596 -8.553 3.495 392 2HG GLN 59 2HG GLN 59 8.255 -7.602 2.163 393 1HE2 GLN 59 1HE2 GLN 59 5.845 -8.791 -0.002 394 2HE2 GLN 59 2HE2 GLN 59 6.853 -7.499 0.548 395 H GLY 60 H GLY 60 10.825 -10.565 5.637 396 1HA GLY 60 1HA GLY 60 12.468 -12.439 4.304 397 2HA GLY 60 2HA GLY 60 13.470 -11.222 5.079
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