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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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12768 |
1tl5 ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 -8.949 -13.404 7.540 2 2H MET 1 H2 MET 1 -7.881 -12.922 8.726 3 3H MET 1 H3 MET 1 -9.190 -11.988 8.369 4 HA MET 1 HA MET 1 -7.136 -11.127 7.500 5 1HB MET 1 2HB MET 1 -6.098 -13.348 7.216 6 2HB MET 1 3HB MET 1 -7.152 -13.685 5.844 7 1HG MET 1 2HG MET 1 -6.197 -11.804 4.598 8 2HG MET 1 3HG MET 1 -5.188 -11.358 5.974 9 1HE MET 1 1HE MET 1 -2.551 -14.258 6.034 10 2HE MET 1 2HE MET 1 -3.100 -12.755 6.805 11 3HE MET 1 3HE MET 1 -4.050 -14.253 6.981 12 HA PRO 2 HA PRO 2 -10.320 -9.952 4.364 13 1HB PRO 2 2HB PRO 2 -9.991 -7.293 4.431 14 2HB PRO 2 3HB PRO 2 -10.871 -8.119 5.759 15 1HG PRO 2 2HG PRO 2 -7.980 -7.194 5.695 16 2HG PRO 2 3HG PRO 2 -9.163 -6.969 7.011 17 1HD PRO 2 2HD PRO 2 -7.277 -8.988 6.923 18 2HD PRO 2 3HD PRO 2 -8.849 -9.179 7.761 19 H LYS 3 H LYS 3 -9.999 -8.667 2.353 20 HA LYS 3 HA LYS 3 -7.156 -8.188 1.575 21 1HB LYS 3 2HB LYS 3 -7.911 -9.962 0.187 22 2HB LYS 3 3HB LYS 3 -9.467 -9.211 -0.096 23 1HG LYS 3 2HG LYS 3 -8.408 -7.421 -1.407 24 2HG LYS 3 3HG LYS 3 -6.796 -8.082 -1.042 25 1HD LYS 3 2HD LYS 3 -7.267 -10.119 -2.239 26 2HD LYS 3 3HD LYS 3 -8.968 -9.691 -2.466 27 1HE LYS 3 2HE LYS 3 -6.674 -8.017 -3.597 28 2HE LYS 3 3HE LYS 3 -7.437 -9.340 -4.494 29 1HZ LYS 3 1HZ LYS 3 -9.543 -8.183 -4.361 30 2HZ LYS 3 2HZ LYS 3 -8.978 -7.025 -3.465 31 3HZ LYS 3 3HZ LYS 3 -8.418 -7.134 -5.004 32 H HIS 4 H HIS 4 -6.790 -6.181 0.559 33 HA HIS 4 HA HIS 4 -9.048 -4.317 0.234 34 1HB HIS 4 2HB HIS 4 -6.549 -3.768 1.915 35 2HB HIS 4 3HB HIS 4 -7.632 -2.513 1.323 36 HD1 HIS 4 1HD HIS 4 -10.208 -2.619 2.279 37 HD2 HIS 4 2HD HIS 4 -7.295 -5.017 4.149 38 HE1 HIS 4 1HE HIS 4 -11.145 -3.277 4.590 39 H GLU 5 H GLU 5 -8.583 -2.590 -1.200 40 HA GLU 5 HA GLU 5 -6.091 -2.832 -2.803 41 1HB GLU 5 2HB GLU 5 -8.951 -2.412 -3.769 42 2HB GLU 5 3HB GLU 5 -7.513 -2.130 -4.740 43 1HG GLU 5 2HG GLU 5 -6.900 -4.581 -3.895 44 2HG GLU 5 3HG GLU 5 -8.633 -4.688 -3.578 45 H PHE 6 H PHE 6 -5.205 -1.048 -3.654 46 HA PHE 6 HA PHE 6 -6.209 1.649 -2.948 47 1HB PHE 6 2HB PHE 6 -3.396 0.506 -2.455 48 2HB PHE 6 3HB PHE 6 -3.863 2.167 -2.173 49 HD1 PHE 6 HD1 PHE 6 -4.552 2.823 0.018 50 HD2 PHE 6 HD2 PHE 6 -4.384 -1.365 -1.005 51 HE1 PHE 6 HE1 PHE 6 -4.912 2.215 2.393 52 HE2 PHE 6 HE2 PHE 6 -4.877 -1.958 1.341 53 HZ PHE 6 HZ PHE 6 -5.117 -0.172 3.057 54 H SER 7 H SER 7 -5.864 3.100 -4.475 55 HA SER 7 HA SER 7 -4.380 2.374 -6.918 56 1HB SER 7 2HB SER 7 -5.933 4.797 -5.925 57 2HB SER 7 3HB SER 7 -5.000 4.762 -7.389 58 HG SER 7 HG SER 7 -6.298 3.146 -8.220 59 H VAL 8 H VAL 8 -2.374 3.424 -7.463 60 HA VAL 8 HA VAL 8 -1.096 5.146 -5.433 61 HB VAL 8 HB VAL 8 0.112 2.720 -6.882 62 1HG1 VAL 8 1HG1 VAL 8 1.805 4.410 -6.609 63 2HG1 VAL 8 2HG1 VAL 8 1.267 4.775 -4.949 64 3HG1 VAL 8 3HG1 VAL 8 2.068 3.234 -5.326 65 1HG2 VAL 8 1HG2 VAL 8 -1.271 1.929 -5.005 66 2HG2 VAL 8 2HG2 VAL 8 0.419 1.859 -4.505 67 3HG2 VAL 8 3HG2 VAL 8 -0.604 3.180 -3.938 68 H ASP 9 H ASP 9 0.764 6.338 -6.639 69 HA ASP 9 HA ASP 9 0.487 6.140 -9.565 70 1HB ASP 9 2HB ASP 9 -0.632 8.286 -8.762 71 2HB ASP 9 3HB ASP 9 0.997 8.867 -8.355 72 H MET 10 H MET 10 2.215 4.836 -9.773 73 HA MET 10 HA MET 10 4.657 5.338 -8.302 74 1HB MET 10 2HB MET 10 4.094 3.372 -10.563 75 2HB MET 10 3HB MET 10 5.589 3.487 -9.623 76 1HG MET 10 2HG MET 10 4.442 1.757 -8.596 77 2HG MET 10 3HG MET 10 4.121 3.117 -7.524 78 1HE MET 10 1HE MET 10 1.023 0.610 -7.519 79 2HE MET 10 2HE MET 10 2.672 0.127 -7.947 80 3HE MET 10 3HE MET 10 2.397 1.221 -6.567 81 H THR 11 H THR 11 4.972 7.484 -8.909 82 HA THR 11 HA THR 11 5.323 8.289 -11.638 83 HB THR 11 HB THR 11 6.435 10.226 -9.873 84 HG1 THR 11 1HG THR 11 4.108 9.024 -8.724 85 1HG2 THR 11 1HG2 THR 11 4.923 10.693 -11.759 86 2HG2 THR 11 2HG2 THR 11 3.577 9.928 -10.887 87 3HG2 THR 11 3HG2 THR 11 4.312 11.418 -10.258 88 H CYS 12 H CYS 12 7.418 6.747 -9.370 89 HA CYS 12 HA CYS 12 9.407 6.572 -11.481 90 1HB CYS 12 2HB CYS 12 10.396 8.351 -10.068 91 2HB CYS 12 3HB CYS 12 10.095 7.380 -8.606 92 HG CYS 12 HG CYS 12 12.621 7.272 -9.120 93 H GLY 13 H GLY 13 10.414 4.414 -11.240 94 1HA GLY 13 2HA GLY 13 8.894 2.325 -10.205 95 2HA GLY 13 3HA GLY 13 10.652 2.270 -10.433 96 H GLY 14 H GLY 14 11.417 4.257 -8.570 97 1HA GLY 14 2HA GLY 14 11.670 2.830 -6.184 98 2HA GLY 14 3HA GLY 14 11.949 4.572 -6.373 99 H CYS 15 H CYS 15 8.890 4.768 -7.210 100 HA CYS 15 HA CYS 15 7.716 5.396 -4.709 101 1HB CYS 15 2HB CYS 15 6.479 4.534 -7.306 102 2HB CYS 15 3HB CYS 15 5.569 5.052 -5.869 103 HG CYS 15 HG CYS 15 6.544 7.366 -5.581 104 H ALA 16 H ALA 16 7.893 2.337 -6.593 105 HA ALA 16 HA ALA 16 6.108 0.866 -4.890 106 1HB ALA 16 1HB ALA 16 6.619 0.149 -7.197 107 2HB ALA 16 2HB ALA 16 8.320 -0.130 -6.749 108 3HB ALA 16 3HB ALA 16 7.041 -1.122 -6.030 109 H GLU 17 H GLU 17 9.677 1.293 -4.941 110 HA GLU 17 HA GLU 17 10.197 -0.362 -2.669 111 1HB GLU 17 2HB GLU 17 11.663 2.098 -3.740 112 2HB GLU 17 3HB GLU 17 12.106 1.241 -2.280 113 1HG GLU 17 2HG GLU 17 12.083 -0.917 -3.803 114 2HG GLU 17 3HG GLU 17 12.237 0.255 -5.124 115 H ALA 18 H ALA 18 9.272 3.108 -2.912 116 HA ALA 18 HA ALA 18 9.615 3.671 -0.147 117 1HB ALA 18 1HB ALA 18 7.615 4.949 -2.064 118 2HB ALA 18 2HB ALA 18 8.183 5.614 -0.524 119 3HB ALA 18 3HB ALA 18 9.319 5.416 -1.874 120 H VAL 19 H VAL 19 6.666 2.729 -1.948 121 HA VAL 19 HA VAL 19 4.984 2.574 0.345 122 HB VAL 19 HB VAL 19 4.766 1.289 -2.404 123 1HG1 VAL 19 1HG1 VAL 19 2.296 1.198 -1.776 124 2HG1 VAL 19 2HG1 VAL 19 3.322 -0.009 -0.985 125 3HG1 VAL 19 3HG1 VAL 19 2.781 1.448 -0.099 126 1HG2 VAL 19 1HG2 VAL 19 3.180 3.132 -2.814 127 2HG2 VAL 19 2HG2 VAL 19 3.417 3.740 -1.164 128 3HG2 VAL 19 3HG2 VAL 19 4.740 3.809 -2.340 129 H SER 20 H SER 20 6.818 -0.004 -1.399 130 HA SER 20 HA SER 20 6.026 -2.148 0.249 131 1HB SER 20 2HB SER 20 7.317 -2.405 -1.872 132 2HB SER 20 3HB SER 20 8.707 -1.586 -1.147 133 HG SER 20 HG SER 20 8.957 -3.838 -1.125 134 H ARG 21 H ARG 21 8.891 -0.025 0.646 135 HA ARG 21 HA ARG 21 9.793 -1.176 3.039 136 1HB ARG 21 2HB ARG 21 10.170 1.589 1.844 137 2HB ARG 21 3HB ARG 21 11.032 1.015 3.282 138 1HG ARG 21 2HG ARG 21 12.026 -0.829 2.068 139 2HG ARG 21 3HG ARG 21 11.083 -0.505 0.627 140 1HD ARG 21 2HD ARG 21 12.154 1.685 0.339 141 2HD ARG 21 3HD ARG 21 13.169 1.424 1.752 142 HE ARG 21 HE ARG 21 13.521 0.339 -0.967 143 1HH1 ARG 21 2HH2 ARG 21 14.272 -0.358 2.401 144 2HH1 ARG 21 1HH2 ARG 21 15.730 -1.237 2.023 145 1HH2 ARG 21 2HH1 ARG 21 15.256 -0.716 -1.482 146 2HH2 ARG 21 1HH1 ARG 21 16.344 -1.488 -0.328 147 H VAL 22 H VAL 22 7.528 1.724 2.634 148 HA VAL 22 HA VAL 22 7.291 2.075 5.382 149 HB VAL 22 HB VAL 22 6.515 3.575 3.375 150 1HG1 VAL 22 1HG1 VAL 22 3.870 2.272 4.164 151 2HG1 VAL 22 2HG1 VAL 22 4.089 3.671 3.096 152 3HG1 VAL 22 3HG1 VAL 22 4.651 2.102 2.581 153 1HG2 VAL 22 1HG2 VAL 22 6.575 4.236 5.679 154 2HG2 VAL 22 2HG2 VAL 22 5.030 4.771 4.962 155 3HG2 VAL 22 3HG2 VAL 22 5.061 3.343 6.018 156 H LEU 23 H LEU 23 5.291 -0.058 3.194 157 HA LEU 23 HA LEU 23 3.578 -0.863 5.324 158 1HB LEU 23 2HB LEU 23 4.281 -2.094 2.651 159 2HB LEU 23 3HB LEU 23 3.380 -2.984 3.868 160 HG LEU 23 HG LEU 23 1.830 -2.188 2.393 161 1HD1 LEU 23 1HD1 LEU 23 1.502 -0.375 4.816 162 2HD1 LEU 23 2HD1 LEU 23 0.250 -1.102 3.803 163 3HD1 LEU 23 3HD1 LEU 23 1.239 -2.133 4.844 164 1HD2 LEU 23 1HD2 LEU 23 3.002 -0.399 1.407 165 2HD2 LEU 23 2HD2 LEU 23 1.406 0.170 1.941 166 3HD2 LEU 23 3HD2 LEU 23 2.857 0.589 2.887 167 H ASN 24 H ASN 24 6.527 -2.432 4.019 168 HA ASN 24 HA ASN 24 6.817 -4.566 5.799 169 1HB ASN 24 2HB ASN 24 8.333 -4.454 4.023 170 2HB ASN 24 3HB ASN 24 8.705 -2.761 4.308 171 1HD2 ASN 24 1HD2 ASN 24 10.015 -2.127 6.023 172 2HD2 ASN 24 2HD2 ASN 24 11.223 -3.253 6.686 173 H LYS 25 H LYS 25 7.760 -1.155 6.290 174 HA LYS 25 HA LYS 25 8.995 -1.468 8.816 175 1HB LYS 25 2HB LYS 25 7.866 0.792 7.201 176 2HB LYS 25 3HB LYS 25 7.913 1.074 8.927 177 1HG LYS 25 2HG LYS 25 10.329 0.032 7.415 178 2HG LYS 25 3HG LYS 25 9.962 1.761 7.523 179 1HD LYS 25 2HD LYS 25 9.987 1.740 9.942 180 2HD LYS 25 3HD LYS 25 10.238 0.002 10.022 181 1HE LYS 25 2HE LYS 25 12.184 1.977 8.727 182 2HE LYS 25 3HE LYS 25 12.290 1.443 10.411 183 1HZ LYS 25 1HZ LYS 25 13.731 0.161 9.027 184 2HZ LYS 25 2HZ LYS 25 12.557 -0.808 9.643 185 3HZ LYS 25 3HZ LYS 25 12.488 -0.328 8.069 186 H LEU 26 H LEU 26 5.574 -1.242 7.959 187 HA LEU 26 HA LEU 26 4.618 -0.655 10.554 188 1HB LEU 26 2HB LEU 26 3.403 -0.672 8.302 189 2HB LEU 26 3HB LEU 26 3.197 -2.393 8.466 190 HG LEU 26 HG LEU 26 1.324 -0.753 9.119 191 1HD1 LEU 26 1HD1 LEU 26 1.982 -3.018 11.024 192 2HD1 LEU 26 2HD1 LEU 26 0.384 -2.312 10.710 193 3HD1 LEU 26 3HD1 LEU 26 1.226 -3.199 9.425 194 1HD2 LEU 26 1HD2 LEU 26 1.202 -0.011 11.413 195 2HD2 LEU 26 2HD2 LEU 26 2.717 -0.809 11.829 196 3HD2 LEU 26 3HD2 LEU 26 2.717 0.605 10.751 197 H GLY 27 H GLY 27 5.408 -3.716 8.916 198 1HA GLY 27 2HA GLY 27 6.398 -5.039 11.038 199 2HA GLY 27 3HA GLY 27 4.655 -5.228 11.322 200 H GLY 28 H GLY 28 3.396 -6.632 10.019 201 1HA GLY 28 2HA GLY 28 4.976 -8.625 8.414 202 2HA GLY 28 3HA GLY 28 3.917 -9.060 9.767 203 H VAL 29 H VAL 29 3.764 -6.825 7.009 204 HA VAL 29 HA VAL 29 0.947 -7.611 6.501 205 HB VAL 29 HB VAL 29 1.052 -5.370 7.101 206 1HG1 VAL 29 1HG1 VAL 29 3.349 -4.812 7.037 207 2HG1 VAL 29 2HG1 VAL 29 3.427 -4.978 5.275 208 3HG1 VAL 29 3HG1 VAL 29 2.471 -3.679 6.021 209 1HG2 VAL 29 1HG2 VAL 29 0.217 -4.214 5.197 210 2HG2 VAL 29 2HG2 VAL 29 0.964 -5.368 4.076 211 3HG2 VAL 29 3HG2 VAL 29 -0.348 -5.888 5.158 212 H LYS 30 H LYS 30 0.638 -8.986 4.820 213 HA LYS 30 HA LYS 30 2.499 -9.048 2.541 214 1HB LYS 30 2HB LYS 30 1.534 -11.114 3.079 215 2HB LYS 30 3HB LYS 30 -0.092 -10.433 3.140 216 1HG LYS 30 2HG LYS 30 0.219 -11.752 1.088 217 2HG LYS 30 3HG LYS 30 -0.152 -10.092 0.735 218 1HD LYS 30 2HD LYS 30 1.556 -10.802 -0.794 219 2HD LYS 30 3HD LYS 30 2.219 -9.571 0.241 220 1HE LYS 30 2HE LYS 30 3.854 -11.301 -0.080 221 2HE LYS 30 3HE LYS 30 3.334 -11.398 1.608 222 1HZ LYS 30 1HZ LYS 30 3.421 -13.560 0.522 223 2HZ LYS 30 2HZ LYS 30 1.875 -13.204 0.966 224 3HZ LYS 30 3HZ LYS 30 2.329 -13.066 -0.610 225 H TYR 31 H TYR 31 2.529 -7.255 1.544 226 HA TYR 31 HA TYR 31 0.101 -6.067 0.292 227 1HB TYR 31 2HB TYR 31 1.483 -4.055 -0.087 228 2HB TYR 31 3HB TYR 31 1.222 -4.386 1.623 229 HD1 TYR 31 HD1 TYR 31 3.730 -4.497 -1.124 230 HD2 TYR 31 HD2 TYR 31 3.043 -5.109 3.059 231 HE1 TYR 31 HE1 TYR 31 6.169 -4.782 -0.757 232 HE2 TYR 31 HE2 TYR 31 5.494 -5.250 3.459 233 HH TYR 31 HH TYR 31 7.821 -4.544 0.881 234 H ASP 32 H ASP 32 0.238 -5.780 -1.956 235 HA ASP 32 HA ASP 32 2.434 -7.130 -3.448 236 1HB ASP 32 2HB ASP 32 -0.566 -7.541 -3.408 237 2HB ASP 32 3HB ASP 32 0.402 -8.067 -4.774 238 H ILE 33 H ILE 33 3.092 -5.781 -5.069 239 HA ILE 33 HA ILE 33 1.543 -3.273 -5.503 240 HB ILE 33 HB ILE 33 4.483 -3.806 -6.028 241 1HG1 ILE 33 2HG1 ILE 33 4.353 -1.995 -3.908 242 2HG1 ILE 33 3HG1 ILE 33 3.101 -3.153 -3.471 243 1HG2 ILE 33 1HG2 ILE 33 2.860 -1.243 -5.882 244 2HG2 ILE 33 2HG2 ILE 33 4.617 -1.341 -6.107 245 3HG2 ILE 33 3HG2 ILE 33 3.543 -1.978 -7.351 246 1HD1 ILE 33 1HD1 ILE 33 5.965 -3.886 -4.248 247 2HD1 ILE 33 2HD1 ILE 33 5.367 -3.699 -2.598 248 3HD1 ILE 33 3HD1 ILE 33 4.721 -5.000 -3.623 249 H ASP 34 H ASP 34 0.631 -2.914 -7.436 250 HA ASP 34 HA ASP 34 1.674 -4.292 -9.869 251 1HB ASP 34 2HB ASP 34 -0.691 -4.804 -9.348 252 2HB ASP 34 3HB ASP 34 -1.066 -3.073 -9.391 253 H LEU 35 H LEU 35 3.125 -2.930 -10.731 254 HA LEU 35 HA LEU 35 2.923 -0.034 -10.445 255 1HB LEU 35 2HB LEU 35 4.881 -1.733 -12.039 256 2HB LEU 35 3HB LEU 35 4.864 0.027 -11.945 257 HG LEU 35 HG LEU 35 4.923 -0.389 -9.320 258 1HD1 LEU 35 1HD1 LEU 35 6.345 -2.321 -8.733 259 2HD1 LEU 35 2HD1 LEU 35 4.798 -2.864 -9.387 260 3HD1 LEU 35 3HD1 LEU 35 6.253 -2.911 -10.404 261 1HD2 LEU 35 1HD2 LEU 35 7.403 -0.242 -9.440 262 2HD2 LEU 35 2HD2 LEU 35 7.333 -0.679 -11.158 263 3HD2 LEU 35 3HD2 LEU 35 6.614 0.845 -10.590 264 HA PRO 36 HA PRO 36 2.096 -0.146 -15.184 265 1HB PRO 36 2HB PRO 36 0.608 -2.330 -16.147 266 2HB PRO 36 3HB PRO 36 2.356 -2.062 -16.357 267 1HG PRO 36 2HG PRO 36 0.963 -3.735 -14.279 268 2HG PRO 36 3HG PRO 36 2.431 -4.134 -15.211 269 1HD PRO 36 2HD PRO 36 2.608 -3.294 -12.700 270 2HD PRO 36 3HD PRO 36 3.762 -2.652 -13.901 271 H ASN 37 H ASN 37 -0.328 -1.942 -13.173 272 HA ASN 37 HA ASN 37 -2.495 -0.243 -14.255 273 1HB ASN 37 2HB ASN 37 -2.580 -2.423 -12.147 274 2HB ASN 37 3HB ASN 37 -3.958 -1.576 -12.829 275 1HD2 ASN 37 1HD2 ASN 37 -1.859 -4.280 -13.267 276 2HD2 ASN 37 2HD2 ASN 37 -2.344 -4.667 -14.918 277 H LYS 38 H LYS 38 -0.116 0.145 -11.834 278 HA LYS 38 HA LYS 38 0.207 1.647 -10.318 279 1HB LYS 38 2HB LYS 38 -2.052 3.183 -11.656 280 2HB LYS 38 3HB LYS 38 -0.831 3.823 -10.547 281 1HG LYS 38 2HG LYS 38 0.976 3.218 -12.114 282 2HG LYS 38 3HG LYS 38 -0.186 2.473 -13.207 283 1HD LYS 38 2HD LYS 38 0.444 4.621 -14.066 284 2HD LYS 38 3HD LYS 38 -1.277 4.615 -13.637 285 1HE LYS 38 2HE LYS 38 -0.831 5.878 -11.584 286 2HE LYS 38 3HE LYS 38 0.923 5.724 -11.822 287 1HZ LYS 38 1HZ LYS 38 0.814 7.178 -13.636 288 2HZ LYS 38 2HZ LYS 38 -0.851 7.209 -13.643 289 3HZ LYS 38 3HZ LYS 38 -0.006 7.869 -12.410 290 H LYS 39 H LYS 39 -0.861 -0.385 -9.185 291 HA LYS 39 HA LYS 39 -2.659 0.757 -7.145 292 1HB LYS 39 2HB LYS 39 -3.170 -1.915 -8.545 293 2HB LYS 39 3HB LYS 39 -4.016 -1.321 -7.121 294 1HG LYS 39 2HG LYS 39 -4.652 0.740 -8.642 295 2HG LYS 39 3HG LYS 39 -4.129 -0.306 -9.963 296 1HD LYS 39 2HD LYS 39 -6.431 -0.720 -9.843 297 2HD LYS 39 3HD LYS 39 -5.722 -2.094 -8.975 298 1HE LYS 39 2HE LYS 39 -6.153 -0.814 -6.791 299 2HE LYS 39 3HE LYS 39 -6.944 0.440 -7.757 300 1HZ LYS 39 1HZ LYS 39 -8.532 -1.081 -6.825 301 2HZ LYS 39 2HZ LYS 39 -8.540 -1.301 -8.456 302 3HZ LYS 39 3HZ LYS 39 -7.815 -2.373 -7.438 303 H VAL 40 H VAL 40 -2.637 -0.463 -5.114 304 HA VAL 40 HA VAL 40 -0.679 -2.638 -4.884 305 HB VAL 40 HB VAL 40 -1.176 -0.120 -3.258 306 1HG1 VAL 40 1HG1 VAL 40 -1.795 -1.739 -1.688 307 2HG1 VAL 40 2HG1 VAL 40 -0.386 -2.779 -2.056 308 3HG1 VAL 40 3HG1 VAL 40 -0.161 -1.191 -1.269 309 1HG2 VAL 40 1HG2 VAL 40 1.321 -1.766 -3.770 310 2HG2 VAL 40 2HG2 VAL 40 0.769 -0.419 -4.794 311 3HG2 VAL 40 3HG2 VAL 40 1.234 -0.126 -3.106 312 H CYS 41 H CYS 41 -1.566 -4.372 -3.913 313 HA CYS 41 HA CYS 41 -4.248 -4.070 -2.690 314 1HB CYS 41 2HB CYS 41 -4.968 -6.178 -3.440 315 2HB CYS 41 3HB CYS 41 -4.466 -5.294 -4.893 316 HG CYS 41 HG CYS 41 -3.891 -7.834 -5.070 317 H ILE 42 H ILE 42 -4.528 -5.411 -0.831 318 HA ILE 42 HA ILE 42 -2.021 -6.481 0.341 319 HB ILE 42 HB ILE 42 -3.872 -4.517 1.764 320 1HG1 ILE 42 2HG1 ILE 42 -1.194 -3.990 0.410 321 2HG1 ILE 42 3HG1 ILE 42 -2.752 -3.211 0.090 322 1HG2 ILE 42 1HG2 ILE 42 -2.598 -6.223 3.163 323 2HG2 ILE 42 2HG2 ILE 42 -1.100 -5.479 2.561 324 3HG2 ILE 42 3HG2 ILE 42 -2.250 -4.551 3.536 325 1HD1 ILE 42 1HD1 ILE 42 -1.438 -1.661 1.324 326 2HD1 ILE 42 2HD1 ILE 42 -2.669 -2.274 2.448 327 3HD1 ILE 42 3HD1 ILE 42 -0.993 -2.869 2.537 328 H GLU 43 H GLU 43 -2.390 -8.232 1.643 329 HA GLU 43 HA GLU 43 -5.139 -8.819 2.523 330 1HB GLU 43 2HB GLU 43 -4.812 -9.796 0.201 331 2HB GLU 43 3HB GLU 43 -3.573 -10.858 0.881 332 1HG GLU 43 2HG GLU 43 -5.258 -11.794 2.441 333 2HG GLU 43 3HG GLU 43 -6.495 -10.706 1.798 334 H SER 44 H SER 44 -4.400 -8.457 4.625 335 HA SER 44 HA SER 44 -2.746 -10.488 5.839 336 1HB SER 44 2HB SER 44 -1.400 -8.285 4.758 337 2HB SER 44 3HB SER 44 -1.639 -7.789 6.434 338 HG SER 44 HG SER 44 -0.436 -9.564 7.083 339 H GLU 45 H GLU 45 -2.864 -10.208 8.248 340 HA GLU 45 HA GLU 45 -5.501 -9.213 8.901 341 1HB GLU 45 2HB GLU 45 -3.527 -10.550 10.775 342 2HB GLU 45 3HB GLU 45 -5.283 -10.419 10.906 343 1HG GLU 45 2HG GLU 45 -5.090 -11.620 8.453 344 2HG GLU 45 3HG GLU 45 -3.630 -12.258 9.219 345 H HIS 46 H HIS 46 -2.778 -7.410 8.714 346 HA HIS 46 HA HIS 46 -3.007 -5.873 11.201 347 1HB HIS 46 2HB HIS 46 -1.771 -5.305 8.485 348 2HB HIS 46 3HB HIS 46 -1.878 -4.092 9.760 349 HD1 HIS 46 1HD HIS 46 -0.391 -4.527 12.008 350 HD2 HIS 46 2HD HIS 46 0.283 -6.935 8.641 351 HE1 HIS 46 1HE HIS 46 1.960 -5.483 12.251 352 H SER 47 H SER 47 -4.584 -4.390 11.621 353 HA SER 47 HA SER 47 -6.916 -4.258 10.105 354 1HB SER 47 2HB SER 47 -6.798 -3.604 12.478 355 2HB SER 47 3HB SER 47 -5.869 -2.152 12.034 356 HG SER 47 HG SER 47 -8.111 -1.714 12.238 357 H MET 48 H MET 48 -7.688 -3.031 8.476 358 HA MET 48 HA MET 48 -6.301 -1.754 6.539 359 1HB MET 48 2HB MET 48 -8.737 -2.411 6.631 360 2HB MET 48 3HB MET 48 -9.037 -1.004 7.658 361 1HG MET 48 2HG MET 48 -8.032 0.393 5.737 362 2HG MET 48 3HG MET 48 -8.067 -1.109 4.804 363 1HE MET 48 1HE MET 48 -10.109 1.743 6.529 364 2HE MET 48 2HE MET 48 -11.792 1.254 6.228 365 3HE MET 48 3HE MET 48 -10.808 0.349 7.393 366 H ASP 49 H ASP 49 -7.810 -0.205 9.430 367 HA ASP 49 HA ASP 49 -7.154 2.443 8.758 368 1HB ASP 49 2HB ASP 49 -8.781 1.946 10.504 369 2HB ASP 49 3HB ASP 49 -7.517 1.219 11.520 370 H THR 50 H THR 50 -5.464 0.309 10.971 371 HA THR 50 HA THR 50 -3.236 1.788 11.608 372 HB THR 50 HB THR 50 -3.210 -1.201 10.984 373 HG1 THR 50 1HG THR 50 -3.766 -1.173 13.334 374 1HG2 THR 50 1HG2 THR 50 -1.558 -1.306 12.803 375 2HG2 THR 50 2HG2 THR 50 -1.002 -0.266 11.487 376 3HG2 THR 50 3HG2 THR 50 -1.626 0.464 12.983 377 H LEU 51 H LEU 51 -3.601 -0.337 8.707 378 HA LEU 51 HA LEU 51 -1.022 0.331 7.613 379 1HB LEU 51 2HB LEU 51 -3.532 -0.537 6.119 380 2HB LEU 51 3HB LEU 51 -1.877 -0.502 5.494 381 HG LEU 51 HG LEU 51 -2.957 -2.286 7.739 382 1HD1 LEU 51 1HD1 LEU 51 -1.912 -2.876 4.959 383 2HD1 LEU 51 2HD1 LEU 51 -2.477 -4.088 6.136 384 3HD1 LEU 51 3HD1 LEU 51 -3.621 -2.919 5.450 385 1HD2 LEU 51 1HD2 LEU 51 -0.133 -1.926 6.673 386 2HD2 LEU 51 2HD2 LEU 51 -0.697 -1.799 8.355 387 3HD2 LEU 51 3HD2 LEU 51 -0.660 -3.373 7.553 388 H LEU 52 H LEU 52 -4.288 1.565 6.721 389 HA LEU 52 HA LEU 52 -3.559 3.400 4.801 390 1HB LEU 52 2HB LEU 52 -5.722 2.301 5.564 391 2HB LEU 52 3HB LEU 52 -5.894 3.589 6.750 392 HG LEU 52 HG LEU 52 -5.639 4.039 3.725 393 1HD1 LEU 52 1HD1 LEU 52 -7.387 2.408 4.138 394 2HD1 LEU 52 2HD1 LEU 52 -8.052 3.385 5.457 395 3HD1 LEU 52 3HD1 LEU 52 -8.162 3.970 3.777 396 1HD2 LEU 52 1HD2 LEU 52 -7.070 6.052 4.317 397 2HD2 LEU 52 2HD2 LEU 52 -6.777 5.676 6.033 398 3HD2 LEU 52 3HD2 LEU 52 -5.423 6.096 4.948 399 H ALA 53 H ALA 53 -3.559 3.746 8.330 400 HA ALA 53 HA ALA 53 -2.927 6.583 8.371 401 1HB ALA 53 1HB ALA 53 -2.514 6.173 10.766 402 2HB ALA 53 2HB ALA 53 -4.061 5.457 10.269 403 3HB ALA 53 3HB ALA 53 -2.640 4.422 10.503 404 H THR 54 H THR 54 -1.042 3.583 8.741 405 HA THR 54 HA THR 54 1.454 4.860 9.159 406 HB THR 54 HB THR 54 0.789 2.135 7.951 407 HG1 THR 54 1HG THR 54 0.081 2.341 10.024 408 1HG2 THR 54 1HG2 THR 54 3.054 2.684 7.297 409 2HG2 THR 54 2HG2 THR 54 3.434 3.269 8.940 410 3HG2 THR 54 3HG2 THR 54 3.107 1.552 8.646 411 H LEU 55 H LEU 55 0.205 3.402 6.120 412 HA LEU 55 HA LEU 55 2.443 4.128 4.597 413 1HB LEU 55 2HB LEU 55 1.289 3.395 2.707 414 2HB LEU 55 3HB LEU 55 1.086 2.311 4.049 415 HG LEU 55 HG LEU 55 -1.207 3.386 4.418 416 1HD1 LEU 55 1HD1 LEU 55 -0.254 4.606 1.910 417 2HD1 LEU 55 2HD1 LEU 55 -1.991 4.150 1.997 418 3HD1 LEU 55 3HD1 LEU 55 -1.310 5.288 3.158 419 1HD2 LEU 55 1HD2 LEU 55 -0.764 1.121 3.506 420 2HD2 LEU 55 2HD2 LEU 55 -2.168 1.864 2.718 421 3HD2 LEU 55 3HD2 LEU 55 -0.597 1.821 1.875 422 H LYS 56 H LYS 56 -0.418 5.851 5.221 423 HA LYS 56 HA LYS 56 -0.575 7.970 3.576 424 1HB LYS 56 2HB LYS 56 -1.579 7.437 6.048 425 2HB LYS 56 3HB LYS 56 -0.427 8.680 6.508 426 1HG LYS 56 2HG LYS 56 -1.451 10.162 4.745 427 2HG LYS 56 3HG LYS 56 -2.651 8.887 4.444 428 1HD LYS 56 2HD LYS 56 -2.381 9.682 7.314 429 2HD LYS 56 3HD LYS 56 -2.897 10.978 6.241 430 1HE LYS 56 2HE LYS 56 -4.907 9.962 7.012 431 2HE LYS 56 3HE LYS 56 -4.721 9.524 5.314 432 1HZ LYS 56 1HZ LYS 56 -3.805 7.339 6.160 433 2HZ LYS 56 2HZ LYS 56 -4.218 7.843 7.670 434 3HZ LYS 56 3HZ LYS 56 -5.376 7.633 6.542 435 H LYS 57 H LYS 57 1.920 7.535 6.075 436 HA LYS 57 HA LYS 57 3.014 10.140 6.036 437 1HB LYS 57 2HB LYS 57 4.188 7.449 6.763 438 2HB LYS 57 3HB LYS 57 4.990 9.003 7.109 439 1HG LYS 57 2HG LYS 57 2.919 9.683 8.389 440 2HG LYS 57 3HG LYS 57 2.287 8.047 8.156 441 1HD LYS 57 2HD LYS 57 4.869 8.779 9.611 442 2HD LYS 57 3HD LYS 57 3.318 8.373 10.368 443 1HE LYS 57 2HE LYS 57 3.419 6.117 9.194 444 2HE LYS 57 3HE LYS 57 5.064 6.512 8.675 445 1HZ LYS 57 1HZ LYS 57 5.050 5.195 10.659 446 2HZ LYS 57 2HZ LYS 57 5.675 6.678 10.998 447 3HZ LYS 57 3HZ LYS 57 4.141 6.298 11.466 448 H THR 58 H THR 58 3.359 7.649 3.588 449 HA THR 58 HA THR 58 5.883 8.565 2.524 450 HB THR 58 HB THR 58 5.146 7.513 0.433 451 HG1 THR 58 1HG THR 58 2.747 6.851 1.800 452 1HG2 THR 58 1HG2 THR 58 4.594 5.872 2.918 453 2HG2 THR 58 2HG2 THR 58 4.921 5.218 1.294 454 3HG2 THR 58 3HG2 THR 58 6.175 6.139 2.157 455 H GLY 59 H GLY 59 2.568 9.788 2.351 456 1HA GLY 59 2HA GLY 59 1.663 11.605 1.365 457 2HA GLY 59 3HA GLY 59 3.292 12.315 1.389 458 H LYS 60 H LYS 60 2.111 9.429 -0.397 459 HA LYS 60 HA LYS 60 2.375 10.910 -2.989 460 1HB LYS 60 2HB LYS 60 2.409 7.899 -2.657 461 2HB LYS 60 3HB LYS 60 2.810 8.835 -4.083 462 1HG LYS 60 2HG LYS 60 4.416 8.238 -1.619 463 2HG LYS 60 3HG LYS 60 4.844 8.010 -3.303 464 1HD LYS 60 2HD LYS 60 4.979 10.485 -1.593 465 2HD LYS 60 3HD LYS 60 6.268 9.698 -2.447 466 1HE LYS 60 2HE LYS 60 5.940 10.912 -4.345 467 2HE LYS 60 3HE LYS 60 4.196 10.712 -4.312 468 1HZ LYS 60 1HZ LYS 60 4.129 12.415 -2.548 469 2HZ LYS 60 2HZ LYS 60 5.736 12.664 -2.734 470 3HZ LYS 60 3HZ LYS 60 4.713 12.991 -3.982 471 H THR 61 H THR 61 0.796 9.772 -4.667 472 HA THR 61 HA THR 61 -1.836 10.080 -3.785 473 HB THR 61 HB THR 61 -0.990 8.617 -6.298 474 HG1 THR 61 1HG THR 61 -0.608 11.393 -5.970 475 1HG2 THR 61 1HG2 THR 61 -2.589 10.164 -7.359 476 2HG2 THR 61 2HG2 THR 61 -3.375 9.284 -6.035 477 3HG2 THR 61 3HG2 THR 61 -2.872 10.973 -5.801 478 H VAL 62 H VAL 62 -0.622 7.990 -2.154 479 HA VAL 62 HA VAL 62 -1.591 5.402 -3.125 480 HB VAL 62 HB VAL 62 0.480 5.371 -2.041 481 1HG1 VAL 62 1HG1 VAL 62 0.881 5.898 0.296 482 2HG1 VAL 62 2HG1 VAL 62 0.431 7.345 -0.592 483 3HG1 VAL 62 3HG1 VAL 62 -0.748 6.563 0.477 484 1HG2 VAL 62 1HG2 VAL 62 -1.016 3.448 -1.728 485 2HG2 VAL 62 2HG2 VAL 62 0.066 3.658 -0.345 486 3HG2 VAL 62 3HG2 VAL 62 -1.637 4.152 -0.235 487 H SER 63 H SER 63 -3.725 5.605 -3.363 488 HA SER 63 HA SER 63 -5.429 6.796 -1.225 489 1HB SER 63 2HB SER 63 -6.973 6.896 -3.389 490 2HB SER 63 3HB SER 63 -5.724 8.118 -3.102 491 HG SER 63 HG SER 63 -4.335 7.015 -4.514 492 H TYR 64 H TYR 64 -7.368 5.660 -0.691 493 HA TYR 64 HA TYR 64 -7.012 2.719 -0.866 494 1HB TYR 64 2HB TYR 64 -6.957 3.576 1.343 495 2HB TYR 64 3HB TYR 64 -8.318 4.655 1.053 496 HD1 TYR 64 HD1 TYR 64 -7.497 0.980 1.060 497 HD2 TYR 64 HD2 TYR 64 -10.507 4.019 1.608 498 HE1 TYR 64 HE1 TYR 64 -9.122 -0.741 1.725 499 HE2 TYR 64 HE2 TYR 64 -12.167 2.278 2.155 500 HH TYR 64 HH TYR 64 -12.549 0.030 2.442 501 H LEU 65 H LEU 65 -8.435 1.440 -2.004 502 HA LEU 65 HA LEU 65 -11.251 2.106 -2.105 503 1HB LEU 65 2HB LEU 65 -11.163 1.676 -4.677 504 2HB LEU 65 3HB LEU 65 -11.066 3.286 -3.979 505 HG LEU 65 HG LEU 65 -9.603 2.909 -5.849 506 1HD1 LEU 65 1HD1 LEU 65 -7.712 3.476 -3.689 507 2HD1 LEU 65 2HD1 LEU 65 -7.942 4.247 -5.256 508 3HD1 LEU 65 3HD1 LEU 65 -9.100 4.559 -3.970 509 1HD2 LEU 65 1HD2 LEU 65 -8.027 0.950 -4.227 510 2HD2 LEU 65 2HD2 LEU 65 -9.015 0.616 -5.664 511 3HD2 LEU 65 3HD2 LEU 65 -7.578 1.629 -5.802 512 H GLY 66 H GLY 66 -11.113 0.090 -0.786 513 1HA GLY 66 2HA GLY 66 -12.537 -1.794 -2.053 514 2HA GLY 66 3HA GLY 66 -10.908 -2.396 -2.389 515 H LEU 67 H LEU 67 -13.213 -3.404 -0.655 516 HA LEU 67 HA LEU 67 -11.446 -4.431 1.386 517 1HB LEU 67 2HB LEU 67 -12.939 -4.221 3.210 518 2HB LEU 67 3HB LEU 67 -12.579 -2.604 2.617 519 HG LEU 67 HG LEU 67 -15.166 -4.166 2.179 520 1HD1 LEU 67 1HD1 LEU 67 -14.793 -3.412 4.496 521 2HD1 LEU 67 2HD1 LEU 67 -14.531 -1.751 3.921 522 3HD1 LEU 67 3HD1 LEU 67 -16.121 -2.523 3.733 523 1HD2 LEU 67 1HD2 LEU 67 -16.057 -1.912 1.422 524 2HD2 LEU 67 2HD2 LEU 67 -14.380 -1.339 1.325 525 3HD2 LEU 67 3HD2 LEU 67 -14.951 -2.664 0.280 526 H GLU 68 H GLU 68 -11.703 -6.638 1.479 527 HA GLU 68 HA GLU 68 -14.033 -7.949 0.252 528 1HB GLU 68 2HB GLU 68 -11.062 -7.770 -0.326 529 2HB GLU 68 3HB GLU 68 -11.904 -9.265 -0.623 530 1HG GLU 68 2HG GLU 68 -13.238 -8.235 -2.372 531 2HG GLU 68 3HG GLU 68 -12.857 -6.604 -1.794 Start of MODEL 2 1 1H MET 1 H1 MET 1 -8.056 -8.986 7.617 2 2H MET 1 H2 MET 1 -7.305 -9.978 8.686 3 3H MET 1 H3 MET 1 -6.507 -9.472 7.335 4 HA MET 1 HA MET 1 -7.054 -11.661 7.044 5 1HB MET 1 2HB MET 1 -8.721 -11.848 8.783 6 2HB MET 1 3HB MET 1 -9.931 -11.031 7.817 7 1HG MET 1 2HG MET 1 -9.764 -12.862 6.118 8 2HG MET 1 3HG MET 1 -8.502 -13.626 7.103 9 1HE MET 1 1HE MET 1 -9.753 -15.913 7.047 10 2HE MET 1 2HE MET 1 -11.469 -16.110 7.474 11 3HE MET 1 3HE MET 1 -11.017 -15.180 6.026 12 HA PRO 2 HA PRO 2 -9.491 -10.496 3.119 13 1HB PRO 2 2HB PRO 2 -10.819 -8.130 2.888 14 2HB PRO 2 3HB PRO 2 -11.580 -9.571 3.624 15 1HG PRO 2 2HG PRO 2 -10.184 -7.309 5.093 16 2HG PRO 2 3HG PRO 2 -11.842 -7.932 5.371 17 1HD PRO 2 2HD PRO 2 -9.847 -8.844 6.877 18 2HD PRO 2 3HD PRO 2 -11.012 -10.008 6.183 19 H LYS 3 H LYS 3 -8.856 -9.068 1.301 20 HA LYS 3 HA LYS 3 -6.487 -7.450 1.908 21 1HB LYS 3 2HB LYS 3 -5.877 -7.490 -0.288 22 2HB LYS 3 3HB LYS 3 -6.653 -9.065 -0.035 23 1HG LYS 3 2HG LYS 3 -8.798 -7.878 -0.811 24 2HG LYS 3 3HG LYS 3 -7.775 -6.545 -1.306 25 1HD LYS 3 2HD LYS 3 -8.466 -8.171 -3.172 26 2HD LYS 3 3HD LYS 3 -6.767 -7.768 -3.063 27 1HE LYS 3 2HE LYS 3 -7.125 -10.169 -3.478 28 2HE LYS 3 3HE LYS 3 -6.203 -9.849 -2.022 29 1HZ LYS 3 1HZ LYS 3 -8.890 -10.931 -2.325 30 2HZ LYS 3 2HZ LYS 3 -7.662 -11.344 -1.249 31 3HZ LYS 3 3HZ LYS 3 -8.643 -10.073 -0.950 32 H HIS 4 H HIS 4 -6.264 -5.319 1.523 33 HA HIS 4 HA HIS 4 -8.753 -3.683 1.215 34 1HB HIS 4 2HB HIS 4 -6.071 -2.953 2.456 35 2HB HIS 4 3HB HIS 4 -7.588 -2.063 2.590 36 HD1 HIS 4 1HD HIS 4 -5.765 -5.168 3.930 37 HD2 HIS 4 2HD HIS 4 -9.440 -3.182 4.305 38 HE1 HIS 4 1HE HIS 4 -6.892 -6.116 6.018 39 H GLU 5 H GLU 5 -8.817 -2.675 -0.867 40 HA GLU 5 HA GLU 5 -6.325 -2.762 -2.476 41 1HB GLU 5 2HB GLU 5 -9.222 -2.192 -3.201 42 2HB GLU 5 3HB GLU 5 -7.840 -1.896 -4.258 43 1HG GLU 5 2HG GLU 5 -7.258 -4.422 -3.725 44 2HG GLU 5 3HG GLU 5 -9.011 -4.513 -3.448 45 H PHE 6 H PHE 6 -5.366 -0.979 -3.360 46 HA PHE 6 HA PHE 6 -6.441 1.682 -2.708 47 1HB PHE 6 2HB PHE 6 -3.574 0.681 -2.245 48 2HB PHE 6 3HB PHE 6 -3.999 2.378 -2.249 49 HD1 PHE 6 1HD PHE 6 -4.706 -0.854 -0.451 50 HD2 PHE 6 2HD PHE 6 -4.451 3.442 -0.194 51 HE1 PHE 6 1HE PHE 6 -5.107 -0.968 1.983 52 HE2 PHE 6 2HE PHE 6 -4.822 3.317 2.236 53 HZ PHE 6 HZ PHE 6 -5.191 1.114 3.342 54 H SER 7 H SER 7 -6.026 3.204 -4.264 55 HA SER 7 HA SER 7 -4.563 2.343 -6.729 56 1HB SER 7 2HB SER 7 -6.857 3.414 -6.982 57 2HB SER 7 3HB SER 7 -6.120 4.922 -6.383 58 HG SER 7 HG SER 7 -4.599 4.654 -8.175 59 H VAL 8 H VAL 8 -2.689 3.506 -7.310 60 HA VAL 8 HA VAL 8 -1.428 5.176 -5.190 61 HB VAL 8 HB VAL 8 -0.337 2.807 -6.818 62 1HG1 VAL 8 1HG1 VAL 8 1.492 4.222 -6.287 63 2HG1 VAL 8 2HG1 VAL 8 0.903 4.520 -4.630 64 3HG1 VAL 8 3HG1 VAL 8 1.537 2.927 -5.106 65 1HG2 VAL 8 1HG2 VAL 8 -0.257 1.680 -4.546 66 2HG2 VAL 8 2HG2 VAL 8 -1.263 2.996 -3.924 67 3HG2 VAL 8 3HG2 VAL 8 -1.882 1.905 -5.183 68 H ASP 9 H ASP 9 0.527 6.384 -6.158 69 HA ASP 9 HA ASP 9 0.565 6.304 -9.106 70 1HB ASP 9 2HB ASP 9 0.116 8.609 -8.524 71 2HB ASP 9 3HB ASP 9 1.468 8.627 -7.375 72 H MET 10 H MET 10 2.353 5.435 -9.849 73 HA MET 10 HA MET 10 4.825 5.384 -8.186 74 1HB MET 10 2HB MET 10 4.002 3.311 -10.262 75 2HB MET 10 3HB MET 10 5.568 3.439 -9.441 76 1HG MET 10 2HG MET 10 3.803 3.540 -7.308 77 2HG MET 10 3HG MET 10 2.971 2.440 -8.403 78 1HE MET 10 1HE MET 10 4.562 0.340 -5.478 79 2HE MET 10 2HE MET 10 3.994 2.022 -5.406 80 3HE MET 10 3HE MET 10 3.055 0.811 -6.308 81 H THR 11 H THR 11 5.541 7.352 -8.818 82 HA THR 11 HA THR 11 5.383 8.282 -11.468 83 HB THR 11 HB THR 11 7.429 9.447 -9.628 84 HG1 THR 11 1HG THR 11 4.706 9.345 -8.815 85 1HG2 THR 11 1HG2 THR 11 4.861 10.574 -10.832 86 2HG2 THR 11 2HG2 THR 11 6.144 11.502 -10.030 87 3HG2 THR 11 3HG2 THR 11 6.478 10.676 -11.567 88 H CYS 12 H CYS 12 7.760 6.407 -9.691 89 HA CYS 12 HA CYS 12 9.215 5.811 -12.156 90 1HB CYS 12 2HB CYS 12 10.627 7.580 -11.117 91 2HB CYS 12 3HB CYS 12 10.548 6.735 -9.554 92 HG CYS 12 HG CYS 12 11.808 5.702 -12.421 93 H GLY 13 H GLY 13 10.080 3.598 -11.899 94 1HA GLY 13 2HA GLY 13 8.526 1.755 -10.493 95 2HA GLY 13 3HA GLY 13 10.186 1.470 -11.046 96 H GLY 14 H GLY 14 11.495 3.426 -9.485 97 1HA GLY 14 2HA GLY 14 12.150 2.198 -7.087 98 2HA GLY 14 3HA GLY 14 12.362 3.922 -7.434 99 H CYS 15 H CYS 15 9.270 4.132 -7.700 100 HA CYS 15 HA CYS 15 8.547 5.033 -5.128 101 1HB CYS 15 2HB CYS 15 7.311 5.571 -7.166 102 2HB CYS 15 3HB CYS 15 6.779 3.875 -7.291 103 HG CYS 15 HG CYS 15 5.833 3.954 -4.677 104 H ALA 16 H ALA 16 8.482 1.777 -6.598 105 HA ALA 16 HA ALA 16 6.950 0.320 -4.791 106 1HB ALA 16 1HB ALA 16 9.588 -0.464 -6.101 107 2HB ALA 16 2HB ALA 16 8.395 -1.580 -5.404 108 3HB ALA 16 3HB ALA 16 7.972 -0.612 -6.828 109 H GLU 17 H GLU 17 10.354 1.534 -4.364 110 HA GLU 17 HA GLU 17 10.819 0.151 -1.907 111 1HB GLU 17 2HB GLU 17 11.956 2.704 -3.110 112 2HB GLU 17 3HB GLU 17 12.507 2.017 -1.596 113 1HG GLU 17 2HG GLU 17 12.326 -0.031 -3.755 114 2HG GLU 17 3HG GLU 17 13.420 1.296 -4.119 115 H ALA 18 H ALA 18 9.196 3.274 -2.616 116 HA ALA 18 HA ALA 18 9.239 4.220 0.105 117 1HB ALA 18 1HB ALA 18 7.475 5.748 -0.610 118 2HB ALA 18 2HB ALA 18 8.736 5.665 -1.860 119 3HB ALA 18 3HB ALA 18 7.198 4.814 -2.092 120 H VAL 19 H VAL 19 6.862 2.413 -1.830 121 HA VAL 19 HA VAL 19 4.951 2.116 0.278 122 HB VAL 19 HB VAL 19 5.229 0.337 -2.194 123 1HG1 VAL 19 1HG1 VAL 19 2.808 0.126 -1.923 124 2HG1 VAL 19 2HG1 VAL 19 3.669 -0.413 -0.479 125 3HG1 VAL 19 3HG1 VAL 19 2.849 1.159 -0.467 126 1HG2 VAL 19 1HG2 VAL 19 3.541 1.991 -3.156 127 2HG2 VAL 19 2HG2 VAL 19 3.915 3.084 -1.815 128 3HG2 VAL 19 3HG2 VAL 19 5.168 2.662 -3.001 129 H SER 20 H SER 20 7.488 -0.083 -0.999 130 HA SER 20 HA SER 20 6.874 -2.242 0.777 131 1HB SER 20 2HB SER 20 8.211 -2.445 -1.338 132 2HB SER 20 3HB SER 20 9.530 -1.530 -0.579 133 HG SER 20 HG SER 20 9.821 -3.807 -0.424 134 H ARG 21 H ARG 21 9.323 0.380 1.100 135 HA ARG 21 HA ARG 21 10.270 -0.604 3.587 136 1HB ARG 21 2HB ARG 21 10.386 2.179 2.392 137 2HB ARG 21 3HB ARG 21 11.221 1.679 3.873 138 1HG ARG 21 2HG ARG 21 12.427 -0.099 2.656 139 2HG ARG 21 3HG ARG 21 11.606 0.319 1.157 140 1HD ARG 21 2HD ARG 21 12.604 2.637 1.337 141 2HD ARG 21 3HD ARG 21 13.534 2.036 2.733 142 HE ARG 21 HE ARG 21 13.706 0.537 0.143 143 1HH1 ARG 21 2HH2 ARG 21 15.294 2.903 2.242 144 2HH1 ARG 21 1HH2 ARG 21 16.841 2.755 1.467 145 1HH2 ARG 21 2HH1 ARG 21 15.678 0.522 -1.027 146 2HH2 ARG 21 1HH1 ARG 21 17.082 1.293 -0.378 147 H VAL 22 H VAL 22 7.623 1.888 2.923 148 HA VAL 22 HA VAL 22 7.182 2.260 5.665 149 HB VAL 22 HB VAL 22 6.404 3.619 3.569 150 1HG1 VAL 22 1HG1 VAL 22 4.865 1.910 2.646 151 2HG1 VAL 22 2HG1 VAL 22 3.883 1.997 4.130 152 3HG1 VAL 22 3HG1 VAL 22 4.026 3.390 3.046 153 1HG2 VAL 22 1HG2 VAL 22 6.210 4.332 5.836 154 2HG2 VAL 22 2HG2 VAL 22 4.701 4.696 4.965 155 3HG2 VAL 22 3HG2 VAL 22 4.766 3.308 6.083 156 H LEU 23 H LEU 23 5.497 -0.147 3.414 157 HA LEU 23 HA LEU 23 3.939 -1.095 5.605 158 1HB LEU 23 2HB LEU 23 4.626 -2.219 2.889 159 2HB LEU 23 3HB LEU 23 3.841 -3.215 4.086 160 HG LEU 23 HG LEU 23 2.081 -2.514 2.936 161 1HD1 LEU 23 1HD1 LEU 23 1.717 -1.893 5.394 162 2HD1 LEU 23 2HD1 LEU 23 2.034 -0.209 4.921 163 3HD1 LEU 23 3HD1 LEU 23 0.672 -1.088 4.224 164 1HD2 LEU 23 1HD2 LEU 23 3.155 0.281 2.709 165 2HD2 LEU 23 2HD2 LEU 23 3.134 -1.015 1.484 166 3HD2 LEU 23 3HD2 LEU 23 1.607 -0.301 2.058 167 H ASN 24 H ASN 24 7.147 -2.132 4.433 168 HA ASN 24 HA ASN 24 7.538 -4.292 6.228 169 1HB ASN 24 2HB ASN 24 9.131 -4.011 4.506 170 2HB ASN 24 3HB ASN 24 9.349 -2.298 4.863 171 1HD2 ASN 24 1HD2 ASN 24 10.440 -1.613 6.712 172 2HD2 ASN 24 2HD2 ASN 24 11.690 -2.640 7.435 173 H LYS 25 H LYS 25 7.968 -0.744 6.696 174 HA LYS 25 HA LYS 25 8.923 -0.934 9.378 175 1HB LYS 25 2HB LYS 25 7.553 1.219 7.744 176 2HB LYS 25 3HB LYS 25 7.765 1.455 9.461 177 1HG LYS 25 2HG LYS 25 10.056 0.731 7.580 178 2HG LYS 25 3HG LYS 25 9.561 2.396 7.911 179 1HD LYS 25 2HD LYS 25 9.975 2.064 10.335 180 2HD LYS 25 3HD LYS 25 10.521 0.406 10.026 181 1HE LYS 25 2HE LYS 25 12.332 1.281 8.543 182 2HE LYS 25 3HE LYS 25 11.815 2.937 8.903 183 1HZ LYS 25 1HZ LYS 25 12.347 2.529 11.215 184 2HZ LYS 25 2HZ LYS 25 12.826 0.991 10.876 185 3HZ LYS 25 3HZ LYS 25 13.659 2.265 10.263 186 H LEU 26 H LEU 26 5.592 -0.833 8.090 187 HA LEU 26 HA LEU 26 4.309 -0.831 10.621 188 1HB LEU 26 2HB LEU 26 3.414 -0.654 8.182 189 2HB LEU 26 3HB LEU 26 3.230 -2.365 8.218 190 HG LEU 26 HG LEU 26 1.225 -0.774 8.775 191 1HD1 LEU 26 1HD1 LEU 26 0.141 -2.503 10.057 192 2HD1 LEU 26 2HD1 LEU 26 1.106 -3.216 8.753 193 3HD1 LEU 26 3HD1 LEU 26 1.705 -3.271 10.426 194 1HD2 LEU 26 1HD2 LEU 26 2.363 0.390 10.718 195 2HD2 LEU 26 2HD2 LEU 26 0.791 -0.328 11.085 196 3HD2 LEU 26 3HD2 LEU 26 2.269 -1.145 11.608 197 H GLY 27 H GLY 27 5.312 -3.511 8.492 198 1HA GLY 27 2HA GLY 27 6.838 -4.977 9.802 199 2HA GLY 27 3HA GLY 27 5.490 -5.189 10.908 200 H GLY 28 H GLY 28 3.821 -6.636 10.388 201 1HA GLY 28 2HA GLY 28 4.778 -8.978 9.172 202 2HA GLY 28 3HA GLY 28 3.092 -8.687 9.640 203 H VAL 29 H VAL 29 2.212 -6.815 8.142 204 HA VAL 29 HA VAL 29 1.026 -7.385 5.989 205 HB VAL 29 HB VAL 29 1.072 -5.141 6.718 206 1HG1 VAL 29 1HG1 VAL 29 3.926 -4.876 5.702 207 2HG1 VAL 29 2HG1 VAL 29 2.877 -3.577 6.283 208 3HG1 VAL 29 3HG1 VAL 29 3.385 -4.850 7.386 209 1HG2 VAL 29 1HG2 VAL 29 2.071 -5.058 3.856 210 2HG2 VAL 29 2HG2 VAL 29 0.465 -5.648 4.336 211 3HG2 VAL 29 3HG2 VAL 29 0.928 -3.970 4.664 212 H LYS 30 H LYS 30 1.220 -8.510 4.185 213 HA LYS 30 HA LYS 30 3.483 -7.913 2.389 214 1HB LYS 30 2HB LYS 30 2.023 -10.566 2.690 215 2HB LYS 30 3HB LYS 30 3.056 -10.143 1.321 216 1HG LYS 30 2HG LYS 30 3.978 -10.330 4.233 217 2HG LYS 30 3HG LYS 30 4.137 -11.569 3.006 218 1HD LYS 30 2HD LYS 30 6.192 -10.755 2.705 219 2HD LYS 30 3HD LYS 30 5.374 -9.673 1.588 220 1HE LYS 30 2HE LYS 30 7.152 -8.698 3.121 221 2HE LYS 30 3HE LYS 30 5.650 -7.804 3.021 222 1HZ LYS 30 1HZ LYS 30 6.562 -8.073 5.283 223 2HZ LYS 30 2HZ LYS 30 5.028 -8.552 5.158 224 3HZ LYS 30 3HZ LYS 30 6.224 -9.685 5.239 225 H TYR 31 H TYR 31 2.670 -7.626 0.195 226 HA TYR 31 HA TYR 31 -0.192 -7.218 -0.077 227 1HB TYR 31 2HB TYR 31 -0.085 -4.828 -0.149 228 2HB TYR 31 3HB TYR 31 0.586 -5.359 1.384 229 HD1 TYR 31 HD1 TYR 31 1.066 -3.372 -1.520 230 HD2 TYR 31 HD2 TYR 31 3.209 -5.439 1.596 231 HE1 TYR 31 HE1 TYR 31 3.072 -2.087 -2.051 232 HE2 TYR 31 HE2 TYR 31 5.289 -4.262 0.924 233 HH TYR 31 HH TYR 31 5.340 -2.149 -1.976 234 H ASP 32 H ASP 32 -0.729 -6.717 -2.226 235 HA ASP 32 HA ASP 32 1.216 -7.550 -4.250 236 1HB ASP 32 2HB ASP 32 -1.321 -8.192 -4.261 237 2HB ASP 32 3HB ASP 32 -1.622 -6.505 -4.672 238 H ILE 33 H ILE 33 1.567 -6.164 -6.088 239 HA ILE 33 HA ILE 33 1.238 -3.252 -5.806 240 HB ILE 33 HB ILE 33 4.024 -4.425 -6.169 241 1HG1 ILE 33 2HG1 ILE 33 4.133 -2.703 -4.004 242 2HG1 ILE 33 3HG1 ILE 33 2.591 -3.501 -3.758 243 1HG2 ILE 33 1HG2 ILE 33 3.036 -1.555 -5.974 244 2HG2 ILE 33 2HG2 ILE 33 4.738 -2.061 -6.124 245 3HG2 ILE 33 3HG2 ILE 33 3.616 -2.330 -7.458 246 1HD1 ILE 33 1HD1 ILE 33 3.798 -5.736 -3.962 247 2HD1 ILE 33 2HD1 ILE 33 5.322 -4.821 -4.087 248 3HD1 ILE 33 3HD1 ILE 33 4.365 -4.758 -2.608 249 H ASP 34 H ASP 34 -0.031 -3.268 -7.602 250 HA ASP 34 HA ASP 34 1.046 -4.343 -10.166 251 1HB ASP 34 2HB ASP 34 -1.350 -4.672 -9.701 252 2HB ASP 34 3HB ASP 34 -1.562 -2.915 -9.589 253 H LEU 35 H LEU 35 2.652 -3.044 -10.891 254 HA LEU 35 HA LEU 35 2.658 -0.163 -10.418 255 1HB LEU 35 2HB LEU 35 4.507 -1.909 -12.090 256 2HB LEU 35 3HB LEU 35 4.596 -0.153 -11.959 257 HG LEU 35 HG LEU 35 4.522 -0.753 -9.315 258 1HD1 LEU 35 1HD1 LEU 35 6.015 -2.648 -8.870 259 2HD1 LEU 35 2HD1 LEU 35 4.564 -3.208 -9.716 260 3HD1 LEU 35 3HD1 LEU 35 6.093 -3.028 -10.602 261 1HD2 LEU 35 1HD2 LEU 35 6.128 0.735 -10.418 262 2HD2 LEU 35 2HD2 LEU 35 6.963 -0.386 -9.331 263 3HD2 LEU 35 3HD2 LEU 35 6.995 -0.666 -11.086 264 HA PRO 36 HA PRO 36 1.868 0.135 -15.145 265 1HB PRO 36 2HB PRO 36 0.171 -1.823 -16.250 266 2HB PRO 36 3HB PRO 36 1.936 -1.692 -16.466 267 1HG PRO 36 2HG PRO 36 0.417 -3.401 -14.512 268 2HG PRO 36 3HG PRO 36 1.848 -3.842 -15.480 269 1HD PRO 36 2HD PRO 36 2.080 -3.219 -12.902 270 2HD PRO 36 3HD PRO 36 3.295 -2.597 -14.050 271 H ASN 37 H ASN 37 -0.719 -1.566 -13.270 272 HA ASN 37 HA ASN 37 -2.700 0.472 -14.124 273 1HB ASN 37 2HB ASN 37 -3.022 -1.919 -12.283 274 2HB ASN 37 3HB ASN 37 -4.301 -0.874 -12.872 275 1HD2 ASN 37 1HD2 ASN 37 -2.499 -3.720 -13.560 276 2HD2 ASN 37 2HD2 ASN 37 -3.004 -3.906 -15.242 277 H LYS 38 H LYS 38 -0.279 0.328 -11.769 278 HA LYS 38 HA LYS 38 0.135 1.408 -9.863 279 1HB LYS 38 2HB LYS 38 -1.760 3.472 -11.070 280 2HB LYS 38 3HB LYS 38 -0.562 3.718 -9.782 281 1HG LYS 38 2HG LYS 38 1.219 2.933 -11.283 282 2HG LYS 38 3HG LYS 38 0.078 2.828 -12.634 283 1HD LYS 38 2HD LYS 38 -0.223 5.198 -12.718 284 2HD LYS 38 3HD LYS 38 0.471 5.417 -11.108 285 1HE LYS 38 2HE LYS 38 2.655 4.423 -12.042 286 2HE LYS 38 3HE LYS 38 1.970 4.609 -13.654 287 1HZ LYS 38 1HZ LYS 38 2.095 6.909 -11.804 288 2HZ LYS 38 2HZ LYS 38 3.449 6.377 -12.517 289 3HZ LYS 38 3HZ LYS 38 2.167 6.912 -13.445 290 H LYS 39 H LYS 39 -1.226 -0.559 -9.111 291 HA LYS 39 HA LYS 39 -3.124 0.502 -7.085 292 1HB LYS 39 2HB LYS 39 -3.471 -2.092 -8.647 293 2HB LYS 39 3HB LYS 39 -4.371 -1.645 -7.203 294 1HG LYS 39 2HG LYS 39 -5.228 0.406 -8.472 295 2HG LYS 39 3HG LYS 39 -4.443 -0.272 -9.905 296 1HD LYS 39 2HD LYS 39 -6.639 -1.104 -10.090 297 2HD LYS 39 3HD LYS 39 -5.735 -2.455 -9.390 298 1HE LYS 39 2HE LYS 39 -6.567 -1.432 -7.060 299 2HE LYS 39 3HE LYS 39 -7.721 -0.558 -8.068 300 1HZ LYS 39 1HZ LYS 39 -8.714 -2.562 -7.304 301 2HZ LYS 39 2HZ LYS 39 -8.372 -2.876 -8.892 302 3HZ LYS 39 3HZ LYS 39 -7.472 -3.462 -7.613 303 H VAL 40 H VAL 40 -3.087 -0.627 -5.086 304 HA VAL 40 HA VAL 40 -1.045 -2.726 -4.710 305 HB VAL 40 HB VAL 40 -1.644 -0.117 -3.321 306 1HG1 VAL 40 1HG1 VAL 40 -0.698 -0.950 -1.175 307 2HG1 VAL 40 2HG1 VAL 40 -2.346 -1.473 -1.569 308 3HG1 VAL 40 3HG1 VAL 40 -0.990 -2.610 -1.760 309 1HG2 VAL 40 1HG2 VAL 40 0.339 -0.551 -4.714 310 2HG2 VAL 40 2HG2 VAL 40 0.743 -0.079 -3.046 311 3HG2 VAL 40 3HG2 VAL 40 0.879 -1.782 -3.550 312 H CYS 41 H CYS 41 -1.830 -4.418 -3.394 313 HA CYS 41 HA CYS 41 -4.549 -4.107 -2.215 314 1HB CYS 41 2HB CYS 41 -5.473 -5.872 -3.161 315 2HB CYS 41 3HB CYS 41 -4.227 -5.845 -4.376 316 HG CYS 41 HG CYS 41 -2.629 -7.450 -2.936 317 H ILE 42 H ILE 42 -4.452 -4.409 -0.040 318 HA ILE 42 HA ILE 42 -1.950 -5.671 1.036 319 HB ILE 42 HB ILE 42 -3.734 -3.827 2.509 320 1HG1 ILE 42 2HG1 ILE 42 -1.433 -3.083 0.649 321 2HG1 ILE 42 3HG1 ILE 42 -3.114 -2.528 0.553 322 1HG2 ILE 42 1HG2 ILE 42 -1.742 -3.504 3.899 323 2HG2 ILE 42 2HG2 ILE 42 -2.064 -5.230 3.734 324 3HG2 ILE 42 3HG2 ILE 42 -0.781 -4.455 2.778 325 1HD1 ILE 42 1HD1 ILE 42 -2.776 -1.372 2.777 326 2HD1 ILE 42 2HD1 ILE 42 -1.039 -1.739 2.612 327 3HD1 ILE 42 3HD1 ILE 42 -1.849 -0.734 1.400 328 H GLU 43 H GLU 43 -2.436 -7.629 1.347 329 HA GLU 43 HA GLU 43 -4.970 -8.588 2.619 330 1HB GLU 43 2HB GLU 43 -4.329 -9.342 0.246 331 2HB GLU 43 3HB GLU 43 -3.059 -10.298 1.005 332 1HG GLU 43 2HG GLU 43 -4.729 -11.531 2.316 333 2HG GLU 43 3HG GLU 43 -6.030 -10.479 1.744 334 H SER 44 H SER 44 -4.443 -8.377 4.792 335 HA SER 44 HA SER 44 -2.499 -10.209 5.873 336 1HB SER 44 2HB SER 44 -1.027 -8.292 5.226 337 2HB SER 44 3HB SER 44 -1.986 -7.241 6.290 338 HG SER 44 HG SER 44 -0.200 -8.062 7.470 339 H GLU 45 H GLU 45 -2.275 -9.558 8.306 340 HA GLU 45 HA GLU 45 -5.008 -9.083 9.382 341 1HB GLU 45 2HB GLU 45 -3.634 -11.378 9.759 342 2HB GLU 45 3HB GLU 45 -2.916 -10.450 11.079 343 1HG GLU 45 2HG GLU 45 -4.895 -11.751 11.813 344 2HG GLU 45 3HG GLU 45 -5.239 -10.014 11.943 345 H HIS 46 H HIS 46 -4.405 -6.904 8.794 346 HA HIS 46 HA HIS 46 -3.717 -5.560 11.291 347 1HB HIS 46 2HB HIS 46 -2.708 -4.550 8.603 348 2HB HIS 46 3HB HIS 46 -2.482 -3.772 10.170 349 HD1 HIS 46 1HD HIS 46 -0.869 -5.487 11.922 350 HD2 HIS 46 2HD HIS 46 -0.736 -5.903 7.749 351 HE1 HIS 46 1HE HIS 46 1.345 -6.632 11.375 352 H SER 47 H SER 47 -5.060 -3.602 11.407 353 HA SER 47 HA SER 47 -7.517 -3.854 9.902 354 1HB SER 47 2HB SER 47 -7.493 -2.988 12.212 355 2HB SER 47 3HB SER 47 -6.553 -1.580 11.679 356 HG SER 47 HG SER 47 -8.797 -1.141 11.749 357 H MET 48 H MET 48 -8.311 -2.548 8.280 358 HA MET 48 HA MET 48 -6.911 -1.417 6.231 359 1HB MET 48 2HB MET 48 -9.397 -1.890 6.495 360 2HB MET 48 3HB MET 48 -9.530 -0.420 7.467 361 1HG MET 48 2HG MET 48 -8.481 0.799 5.463 362 2HG MET 48 3HG MET 48 -8.755 -0.697 4.561 363 1HE MET 48 1HE MET 48 -11.644 -1.587 5.871 364 2HE MET 48 2HE MET 48 -12.726 -0.855 4.669 365 3HE MET 48 3HE MET 48 -11.247 -1.682 4.134 366 H ASP 49 H ASP 49 -8.156 0.186 9.166 367 HA ASP 49 HA ASP 49 -7.308 2.835 8.769 368 1HB ASP 49 2HB ASP 49 -8.686 2.584 10.650 369 2HB ASP 49 3HB ASP 49 -7.955 1.046 11.121 370 H THR 50 H THR 50 -5.729 0.422 10.707 371 HA THR 50 HA THR 50 -3.510 1.889 11.334 372 HB THR 50 HB THR 50 -3.617 -1.141 11.139 373 HG1 THR 50 1HG THR 50 -5.126 0.670 12.644 374 1HG2 THR 50 1HG2 THR 50 -2.327 0.735 13.182 375 2HG2 THR 50 2HG2 THR 50 -2.320 -1.040 13.248 376 3HG2 THR 50 3HG2 THR 50 -1.454 -0.200 11.946 377 H LEU 51 H LEU 51 -3.937 -0.372 8.598 378 HA LEU 51 HA LEU 51 -1.296 -0.055 7.474 379 1HB LEU 51 2HB LEU 51 -3.973 -0.512 6.089 380 2HB LEU 51 3HB LEU 51 -2.380 -0.592 5.311 381 HG LEU 51 HG LEU 51 -3.162 -2.299 7.729 382 1HD1 LEU 51 1HD1 LEU 51 -4.823 -2.819 6.131 383 2HD1 LEU 51 2HD1 LEU 51 -3.665 -2.860 4.798 384 3HD1 LEU 51 3HD1 LEU 51 -3.635 -4.127 6.050 385 1HD2 LEU 51 1HD2 LEU 51 -1.363 -3.809 6.702 386 2HD2 LEU 51 2HD2 LEU 51 -0.936 -2.436 5.664 387 3HD2 LEU 51 3HD2 LEU 51 -0.798 -2.296 7.420 388 H LEU 52 H LEU 52 -4.416 1.566 6.534 389 HA LEU 52 HA LEU 52 -3.541 3.303 4.690 390 1HB LEU 52 2HB LEU 52 -5.812 2.715 5.556 391 2HB LEU 52 3HB LEU 52 -5.622 3.863 6.858 392 HG LEU 52 HG LEU 52 -5.278 4.748 3.968 393 1HD1 LEU 52 1HD1 LEU 52 -7.283 3.351 4.090 394 2HD1 LEU 52 2HD1 LEU 52 -7.847 4.237 5.515 395 3HD1 LEU 52 3HD1 LEU 52 -7.760 5.062 3.931 396 1HD2 LEU 52 1HD2 LEU 52 -4.753 6.378 5.743 397 2HD2 LEU 52 2HD2 LEU 52 -6.251 6.843 4.916 398 3HD2 LEU 52 3HD2 LEU 52 -6.321 6.068 6.516 399 H ALA 53 H ALA 53 -3.879 4.129 8.167 400 HA ALA 53 HA ALA 53 -2.783 6.705 8.012 401 1HB ALA 53 1HB ALA 53 -2.787 4.745 10.359 402 2HB ALA 53 2HB ALA 53 -2.555 6.503 10.480 403 3HB ALA 53 3HB ALA 53 -4.110 5.847 9.928 404 H THR 54 H THR 54 -1.129 3.572 8.424 405 HA THR 54 HA THR 54 1.435 4.772 8.981 406 HB THR 54 HB THR 54 0.699 1.990 7.966 407 HG1 THR 54 1HG THR 54 -0.003 2.241 9.988 408 1HG2 THR 54 1HG2 THR 54 3.020 1.460 8.776 409 2HG2 THR 54 2HG2 THR 54 2.940 2.385 7.275 410 3HG2 THR 54 3HG2 THR 54 3.355 3.197 8.810 411 H LEU 55 H LEU 55 0.037 3.264 6.018 412 HA LEU 55 HA LEU 55 2.309 3.880 4.447 413 1HB LEU 55 2HB LEU 55 1.087 3.151 2.558 414 2HB LEU 55 3HB LEU 55 1.070 2.065 3.911 415 HG LEU 55 HG LEU 55 -1.260 2.837 4.424 416 1HD1 LEU 55 1HD1 LEU 55 -2.337 3.734 2.204 417 2HD1 LEU 55 2HD1 LEU 55 -1.484 4.867 3.259 418 3HD1 LEU 55 3HD1 LEU 55 -0.645 4.207 1.853 419 1HD2 LEU 55 1HD2 LEU 55 -0.631 1.489 1.787 420 2HD2 LEU 55 2HD2 LEU 55 -0.691 0.718 3.391 421 3HD2 LEU 55 3HD2 LEU 55 -2.178 1.372 2.673 422 H LYS 56 H LYS 56 -0.550 5.706 5.028 423 HA LYS 56 HA LYS 56 -0.484 7.777 3.321 424 1HB LYS 56 2HB LYS 56 -1.798 7.406 5.622 425 2HB LYS 56 3HB LYS 56 -0.539 8.442 6.291 426 1HG LYS 56 2HG LYS 56 -1.189 10.098 4.425 427 2HG LYS 56 3HG LYS 56 -2.536 8.967 4.088 428 1HD LYS 56 2HD LYS 56 -3.249 9.168 6.492 429 2HD LYS 56 3HD LYS 56 -2.021 10.408 6.742 430 1HE LYS 56 2HE LYS 56 -4.413 10.534 4.823 431 2HE LYS 56 3HE LYS 56 -4.276 11.379 6.371 432 1HZ LYS 56 1HZ LYS 56 -3.776 12.830 4.555 433 2HZ LYS 56 2HZ LYS 56 -2.418 12.616 5.456 434 3HZ LYS 56 3HZ LYS 56 -2.580 11.848 4.007 435 H LYS 57 H LYS 57 1.903 7.180 5.894 436 HA LYS 57 HA LYS 57 3.074 9.782 5.911 437 1HB LYS 57 2HB LYS 57 4.170 7.097 6.798 438 2HB LYS 57 3HB LYS 57 4.896 8.674 7.165 439 1HG LYS 57 2HG LYS 57 2.694 9.341 8.240 440 2HG LYS 57 3HG LYS 57 2.131 7.686 7.992 441 1HD LYS 57 2HD LYS 57 4.471 8.568 9.733 442 2HD LYS 57 3HD LYS 57 2.874 8.008 10.264 443 1HE LYS 57 2HE LYS 57 3.431 5.821 8.932 444 2HE LYS 57 3HE LYS 57 5.100 6.395 8.938 445 1HZ LYS 57 1HZ LYS 57 4.648 4.922 10.765 446 2HZ LYS 57 2HZ LYS 57 4.979 6.421 11.358 447 3HZ LYS 57 3HZ LYS 57 3.427 5.868 11.313 448 H THR 58 H THR 58 3.323 7.350 3.471 449 HA THR 58 HA THR 58 5.928 8.073 2.456 450 HB THR 58 HB THR 58 5.047 7.322 0.270 451 HG1 THR 58 1HG THR 58 2.630 6.678 1.588 452 1HG2 THR 58 1HG2 THR 58 4.601 4.978 0.953 453 2HG2 THR 58 2HG2 THR 58 5.986 5.701 1.807 454 3HG2 THR 58 3HG2 THR 58 4.429 5.538 2.636 455 H GLY 59 H GLY 59 2.829 9.745 2.532 456 1HA GLY 59 2HA GLY 59 2.247 11.826 1.828 457 2HA GLY 59 3HA GLY 59 3.968 12.174 1.534 458 H LYS 60 H LYS 60 1.646 9.793 0.183 459 HA LYS 60 HA LYS 60 2.107 10.779 -2.605 460 1HB LYS 60 2HB LYS 60 2.407 7.948 -1.592 461 2HB LYS 60 3HB LYS 60 2.254 8.448 -3.284 462 1HG LYS 60 2HG LYS 60 4.225 10.140 -2.683 463 2HG LYS 60 3HG LYS 60 4.512 9.028 -1.335 464 1HD LYS 60 2HD LYS 60 4.555 7.155 -2.958 465 2HD LYS 60 3HD LYS 60 4.220 8.293 -4.262 466 1HE LYS 60 2HE LYS 60 6.384 9.541 -3.563 467 2HE LYS 60 3HE LYS 60 6.762 8.120 -2.575 468 1HZ LYS 60 1HZ LYS 60 7.792 7.970 -4.718 469 2HZ LYS 60 2HZ LYS 60 6.614 6.814 -4.642 470 3HZ LYS 60 3HZ LYS 60 6.362 8.192 -5.499 471 H THR 61 H THR 61 0.456 9.913 -4.099 472 HA THR 61 HA THR 61 -2.156 10.192 -3.196 473 HB THR 61 HB THR 61 -1.471 8.831 -5.803 474 HG1 THR 61 1HG THR 61 -0.551 10.745 -6.570 475 1HG2 THR 61 1HG2 THR 61 -3.763 9.752 -5.365 476 2HG2 THR 61 2HG2 THR 61 -3.050 11.366 -5.144 477 3HG2 THR 61 3HG2 THR 61 -2.960 10.559 -6.724 478 H VAL 62 H VAL 62 -0.990 7.929 -1.720 479 HA VAL 62 HA VAL 62 -2.002 5.460 -2.949 480 HB VAL 62 HB VAL 62 0.081 5.271 -1.933 481 1HG1 VAL 62 1HG1 VAL 62 0.563 5.591 0.441 482 2HG1 VAL 62 2HG1 VAL 62 0.166 7.110 -0.339 483 3HG1 VAL 62 3HG1 VAL 62 -1.034 6.317 0.699 484 1HG2 VAL 62 1HG2 VAL 62 -1.966 3.953 -0.117 485 2HG2 VAL 62 2HG2 VAL 62 -1.489 3.376 -1.714 486 3HG2 VAL 62 3HG2 VAL 62 -0.297 3.421 -0.409 487 H SER 63 H SER 63 -4.107 5.786 -3.149 488 HA SER 63 HA SER 63 -5.770 6.766 -0.878 489 1HB SER 63 2HB SER 63 -6.460 6.397 -3.827 490 2HB SER 63 3HB SER 63 -7.344 7.353 -2.622 491 HG SER 63 HG SER 63 -4.695 7.836 -3.598 492 H TYR 64 H TYR 64 -7.594 5.472 -0.203 493 HA TYR 64 HA TYR 64 -7.319 2.570 -0.682 494 1HB TYR 64 2HB TYR 64 -7.412 3.220 1.604 495 2HB TYR 64 3HB TYR 64 -8.764 4.310 1.326 496 HD1 TYR 64 HD1 TYR 64 -11.006 3.590 1.499 497 HD2 TYR 64 HD2 TYR 64 -7.852 0.663 1.237 498 HE1 TYR 64 HE1 TYR 64 -12.669 1.786 1.735 499 HE2 TYR 64 HE2 TYR 64 -9.526 -1.147 1.524 500 HH TYR 64 HH TYR 64 -13.025 -0.478 1.834 501 H LEU 65 H LEU 65 -8.745 1.398 -1.940 502 HA LEU 65 HA LEU 65 -11.533 2.203 -2.131 503 1HB LEU 65 2HB LEU 65 -11.427 1.946 -4.687 504 2HB LEU 65 3HB LEU 65 -11.144 3.485 -3.906 505 HG LEU 65 HG LEU 65 -9.690 3.001 -5.789 506 1HD1 LEU 65 1HD1 LEU 65 -7.917 3.344 -3.502 507 2HD1 LEU 65 2HD1 LEU 65 -7.891 4.153 -5.065 508 3HD1 LEU 65 3HD1 LEU 65 -9.134 4.580 -3.890 509 1HD2 LEU 65 1HD2 LEU 65 -7.773 1.551 -5.717 510 2HD2 LEU 65 2HD2 LEU 65 -8.307 0.889 -4.159 511 3HD2 LEU 65 3HD2 LEU 65 -9.272 0.646 -5.634 512 H GLY 66 H GLY 66 -11.447 0.047 -0.874 513 1HA GLY 66 2HA GLY 66 -13.262 -1.477 -1.640 514 2HA GLY 66 3HA GLY 66 -12.189 -2.002 -2.946 515 H LEU 67 H LEU 67 -13.100 -4.001 -1.340 516 HA LEU 67 HA LEU 67 -10.673 -4.878 -0.149 517 1HB LEU 67 2HB LEU 67 -11.446 -5.295 2.090 518 2HB LEU 67 3HB LEU 67 -11.683 -3.587 1.755 519 HG LEU 67 HG LEU 67 -13.834 -5.765 1.767 520 1HD1 LEU 67 1HD1 LEU 67 -13.252 -3.494 3.710 521 2HD1 LEU 67 2HD1 LEU 67 -14.580 -4.667 3.832 522 3HD1 LEU 67 3HD1 LEU 67 -12.903 -5.215 3.987 523 1HD2 LEU 67 1HD2 LEU 67 -15.436 -3.810 1.759 524 2HD2 LEU 67 2HD2 LEU 67 -14.075 -2.752 1.332 525 3HD2 LEU 67 3HD2 LEU 67 -14.600 -4.048 0.228 526 H GLU 68 H GLU 68 -10.641 -7.154 0.248 527 HA GLU 68 HA GLU 68 -12.934 -8.811 -0.498 528 1HB GLU 68 2HB GLU 68 -11.863 -8.025 -2.661 529 2HB GLU 68 3HB GLU 68 -10.384 -8.818 -2.150 530 1HG GLU 68 2HG GLU 68 -11.869 -10.972 -1.907 531 2HG GLU 68 3HG GLU 68 -13.001 -10.097 -2.951 Start of MODEL 3 1 1H MET 1 H1 MET 1 -7.961 -6.831 6.728 2 2H MET 1 H2 MET 1 -7.492 -6.733 8.324 3 3H MET 1 H3 MET 1 -6.642 -7.625 7.271 4 HA MET 1 HA MET 1 -7.711 -9.115 8.563 5 1HB MET 1 2HB MET 1 -10.245 -7.592 7.954 6 2HB MET 1 3HB MET 1 -10.219 -9.293 8.494 7 1HG MET 1 2HG MET 1 -8.937 -8.613 10.504 8 2HG MET 1 3HG MET 1 -8.956 -6.937 9.943 9 1HE MET 1 1HE MET 1 -12.661 -9.191 11.515 10 2HE MET 1 2HE MET 1 -11.984 -9.582 9.923 11 3HE MET 1 3HE MET 1 -11.035 -9.900 11.399 12 HA PRO 2 HA PRO 2 -8.497 -10.994 4.404 13 1HB PRO 2 2HB PRO 2 -10.538 -10.567 2.814 14 2HB PRO 2 3HB PRO 2 -10.870 -11.098 4.460 15 1HG PRO 2 2HG PRO 2 -10.905 -8.204 3.526 16 2HG PRO 2 3HG PRO 2 -12.213 -9.099 4.343 17 1HD PRO 2 2HD PRO 2 -10.316 -7.585 5.690 18 2HD PRO 2 3HD PRO 2 -11.114 -9.040 6.387 19 H LYS 3 H LYS 3 -9.491 -9.153 1.855 20 HA LYS 3 HA LYS 3 -6.786 -8.032 1.474 21 1HB LYS 3 2HB LYS 3 -8.030 -9.630 -0.119 22 2HB LYS 3 3HB LYS 3 -9.038 -8.229 -0.505 23 1HG LYS 3 2HG LYS 3 -6.984 -6.957 -1.145 24 2HG LYS 3 3HG LYS 3 -6.018 -8.420 -0.919 25 1HD LYS 3 2HD LYS 3 -8.425 -8.298 -2.813 26 2HD LYS 3 3HD LYS 3 -6.840 -7.718 -3.286 27 1HE LYS 3 2HE LYS 3 -7.094 -9.918 -4.145 28 2HE LYS 3 3HE LYS 3 -5.824 -9.929 -2.907 29 1HZ LYS 3 1HZ LYS 3 -8.619 -10.816 -2.482 30 2HZ LYS 3 2HZ LYS 3 -7.362 -11.804 -2.785 31 3HZ LYS 3 3HZ LYS 3 -7.330 -10.966 -1.405 32 H HIS 4 H HIS 4 -6.504 -5.810 1.005 33 HA HIS 4 HA HIS 4 -8.866 -4.018 0.913 34 1HB HIS 4 2HB HIS 4 -6.568 -2.899 2.377 35 2HB HIS 4 3HB HIS 4 -8.288 -2.791 2.717 36 HD1 HIS 4 1HD HIS 4 -5.377 -5.264 3.231 37 HD2 HIS 4 2HD HIS 4 -9.255 -4.427 4.575 38 HE1 HIS 4 1HE HIS 4 -5.695 -6.611 5.360 39 H GLU 5 H GLU 5 -8.644 -2.407 -0.632 40 HA GLU 5 HA GLU 5 -6.276 -2.681 -2.394 41 1HB GLU 5 2HB GLU 5 -9.158 -1.748 -2.731 42 2HB GLU 5 3HB GLU 5 -7.997 -1.790 -4.053 43 1HG GLU 5 2HG GLU 5 -8.968 -4.190 -2.392 44 2HG GLU 5 3HG GLU 5 -9.449 -3.787 -4.032 45 H PHE 6 H PHE 6 -5.037 -0.963 -2.997 46 HA PHE 6 HA PHE 6 -5.995 1.771 -2.409 47 1HB PHE 6 2HB PHE 6 -3.147 0.906 -1.863 48 2HB PHE 6 3HB PHE 6 -3.906 2.440 -1.469 49 HD1 PHE 6 1HD PHE 6 -4.775 2.747 0.811 50 HD2 PHE 6 2HD PHE 6 -3.951 -1.233 -0.693 51 HE1 PHE 6 1HE PHE 6 -5.288 1.786 3.006 52 HE2 PHE 6 2HE PHE 6 -4.484 -2.165 1.515 53 HZ PHE 6 HZ PHE 6 -5.223 -0.664 3.366 54 H SER 7 H SER 7 -5.751 3.082 -4.165 55 HA SER 7 HA SER 7 -4.086 2.091 -6.440 56 1HB SER 7 2HB SER 7 -6.518 2.510 -6.930 57 2HB SER 7 3HB SER 7 -6.232 4.225 -6.571 58 HG SER 7 HG SER 7 -4.633 4.189 -8.243 59 H VAL 8 H VAL 8 -2.479 3.369 -7.205 60 HA VAL 8 HA VAL 8 -1.586 5.660 -5.554 61 HB VAL 8 HB VAL 8 0.091 3.528 -6.971 62 1HG1 VAL 8 1HG1 VAL 8 0.562 5.406 -4.595 63 2HG1 VAL 8 2HG1 VAL 8 1.722 4.173 -5.131 64 3HG1 VAL 8 3HG1 VAL 8 1.316 5.522 -6.182 65 1HG2 VAL 8 1HG2 VAL 8 -1.254 2.201 -5.421 66 2HG2 VAL 8 2HG2 VAL 8 0.345 2.427 -4.721 67 3HG2 VAL 8 3HG2 VAL 8 -1.007 3.393 -4.125 68 H ASP 9 H ASP 9 0.139 6.980 -6.977 69 HA ASP 9 HA ASP 9 0.276 5.887 -9.593 70 1HB ASP 9 2HB ASP 9 -1.112 8.095 -9.747 71 2HB ASP 9 3HB ASP 9 0.471 8.874 -9.575 72 H MET 10 H MET 10 2.402 6.288 -10.489 73 HA MET 10 HA MET 10 4.474 6.446 -8.360 74 1HB MET 10 2HB MET 10 3.675 3.865 -9.787 75 2HB MET 10 3HB MET 10 5.138 4.076 -8.816 76 1HG MET 10 2HG MET 10 3.558 4.870 -6.930 77 2HG MET 10 3HG MET 10 2.256 4.155 -7.886 78 1HE MET 10 1HE MET 10 3.265 1.614 -9.033 79 2HE MET 10 2HE MET 10 3.138 0.371 -7.759 80 3HE MET 10 3HE MET 10 1.819 1.534 -7.989 81 H THR 11 H THR 11 5.438 8.088 -9.557 82 HA THR 11 HA THR 11 5.871 7.903 -12.305 83 HB THR 11 HB THR 11 7.577 9.706 -10.618 84 HG1 THR 11 1HG THR 11 5.645 10.916 -10.095 85 1HG2 THR 11 1HG2 THR 11 6.681 11.415 -12.146 86 2HG2 THR 11 2HG2 THR 11 7.278 10.029 -13.078 87 3HG2 THR 11 3HG2 THR 11 5.531 10.243 -12.823 88 H CYS 12 H CYS 12 7.713 6.418 -9.737 89 HA CYS 12 HA CYS 12 9.824 5.688 -11.673 90 1HB CYS 12 2HB CYS 12 10.748 7.635 -10.413 91 2HB CYS 12 3HB CYS 12 10.328 6.838 -8.880 92 HG CYS 12 HG CYS 12 12.351 5.811 -11.279 93 H GLY 13 H GLY 13 10.707 3.583 -11.079 94 1HA GLY 13 2HA GLY 13 8.984 1.712 -9.886 95 2HA GLY 13 3HA GLY 13 10.737 1.516 -10.076 96 H GLY 14 H GLY 14 11.633 3.647 -8.448 97 1HA GLY 14 2HA GLY 14 11.589 2.507 -5.883 98 2HA GLY 14 3HA GLY 14 12.126 4.161 -6.253 99 H CYS 15 H CYS 15 9.179 4.603 -7.367 100 HA CYS 15 HA CYS 15 8.062 5.633 -4.932 101 1HB CYS 15 2HB CYS 15 7.600 6.628 -7.111 102 2HB CYS 15 3HB CYS 15 6.606 5.201 -7.518 103 HG CYS 15 HG CYS 15 5.154 5.361 -5.276 104 H ALA 16 H ALA 16 7.843 2.560 -6.743 105 HA ALA 16 HA ALA 16 5.621 1.471 -5.186 106 1HB ALA 16 1HB ALA 16 6.203 0.629 -7.463 107 2HB ALA 16 2HB ALA 16 7.738 0.004 -6.819 108 3HB ALA 16 3HB ALA 16 6.208 -0.635 -6.217 109 H GLU 17 H GLU 17 9.224 1.205 -5.166 110 HA GLU 17 HA GLU 17 9.457 -0.387 -2.871 111 1HB GLU 17 2HB GLU 17 11.216 2.000 -3.575 112 2HB GLU 17 3HB GLU 17 11.441 0.813 -2.293 113 1HG GLU 17 2HG GLU 17 11.753 -0.992 -3.883 114 2HG GLU 17 3HG GLU 17 11.592 0.162 -5.225 115 H ALA 18 H ALA 18 8.915 3.191 -3.021 116 HA ALA 18 HA ALA 18 9.120 3.773 -0.306 117 1HB ALA 18 1HB ALA 18 6.917 4.858 -2.103 118 2HB ALA 18 2HB ALA 18 7.596 5.611 -0.659 119 3HB ALA 18 3HB ALA 18 8.601 5.440 -2.116 120 H VAL 19 H VAL 19 6.306 2.368 -2.024 121 HA VAL 19 HA VAL 19 4.622 2.205 0.283 122 HB VAL 19 HB VAL 19 4.515 0.544 -2.268 123 1HG1 VAL 19 1HG1 VAL 19 2.406 1.077 -0.134 124 2HG1 VAL 19 2HG1 VAL 19 2.195 0.143 -1.625 125 3HG1 VAL 19 3HG1 VAL 19 3.261 -0.466 -0.368 126 1HG2 VAL 19 1HG2 VAL 19 2.753 2.150 -2.942 127 2HG2 VAL 19 2HG2 VAL 19 3.080 3.125 -1.494 128 3HG2 VAL 19 3HG2 VAL 19 4.312 2.960 -2.763 129 H SER 20 H SER 20 6.548 -0.340 -1.499 130 HA SER 20 HA SER 20 6.033 -2.381 0.278 131 1HB SER 20 2HB SER 20 8.690 -1.951 -1.159 132 2HB SER 20 3HB SER 20 7.921 -3.502 -0.753 133 HG SER 20 HG SER 20 7.552 -2.842 -2.948 134 H ARG 21 H ARG 21 8.688 0.020 0.591 135 HA ARG 21 HA ARG 21 9.790 -1.107 2.951 136 1HB ARG 21 2HB ARG 21 10.068 1.628 1.662 137 2HB ARG 21 3HB ARG 21 10.995 1.054 3.066 138 1HG ARG 21 2HG ARG 21 11.693 -0.953 1.727 139 2HG ARG 21 3HG ARG 21 10.985 -0.253 0.281 140 1HD ARG 21 2HD ARG 21 12.955 1.436 1.812 141 2HD ARG 21 3HD ARG 21 13.560 -0.031 1.063 142 HE ARG 21 HE ARG 21 13.306 0.778 -1.089 143 1HH1 ARG 21 2HH2 ARG 21 11.754 3.061 1.101 144 2HH1 ARG 21 1HH2 ARG 21 11.924 4.415 0.015 145 1HH2 ARG 21 2HH1 ARG 21 13.489 2.354 -2.455 146 2HH2 ARG 21 1HH1 ARG 21 12.936 4.006 -2.173 147 H VAL 22 H VAL 22 7.460 1.801 2.604 148 HA VAL 22 HA VAL 22 7.391 2.164 5.375 149 HB VAL 22 HB VAL 22 6.661 3.720 3.486 150 1HG1 VAL 22 1HG1 VAL 22 4.000 2.328 3.909 151 2HG1 VAL 22 2HG1 VAL 22 4.316 3.730 2.867 152 3HG1 VAL 22 3HG1 VAL 22 5.003 2.166 2.452 153 1HG2 VAL 22 1HG2 VAL 22 4.916 3.343 5.923 154 2HG2 VAL 22 2HG2 VAL 22 6.413 4.311 5.781 155 3HG2 VAL 22 3HG2 VAL 22 4.930 4.788 4.897 156 H LEU 23 H LEU 23 5.343 0.059 3.241 157 HA LEU 23 HA LEU 23 3.725 -0.944 5.342 158 1HB LEU 23 2HB LEU 23 4.541 -1.966 2.597 159 2HB LEU 23 3HB LEU 23 3.626 -2.949 3.728 160 HG LEU 23 HG LEU 23 2.220 -1.847 2.039 161 1HD1 LEU 23 1HD1 LEU 23 1.278 -2.781 4.088 162 2HD1 LEU 23 2HD1 LEU 23 1.664 -1.292 4.984 163 3HD1 LEU 23 3HD1 LEU 23 0.468 -1.249 3.687 164 1HD2 LEU 23 1HD2 LEU 23 1.525 0.440 2.398 165 2HD2 LEU 23 2HD2 LEU 23 2.633 0.584 3.783 166 3HD2 LEU 23 3HD2 LEU 23 3.272 0.410 2.128 167 H ASN 24 H ASN 24 6.851 -2.252 4.029 168 HA ASN 24 HA ASN 24 7.003 -4.466 5.777 169 1HB ASN 24 2HB ASN 24 8.581 -4.425 4.069 170 2HB ASN 24 3HB ASN 24 9.025 -2.741 4.362 171 1HD2 ASN 24 1HD2 ASN 24 10.282 -2.183 6.182 172 2HD2 ASN 24 2HD2 ASN 24 11.395 -3.370 6.880 173 H LYS 25 H LYS 25 8.000 -1.086 6.302 174 HA LYS 25 HA LYS 25 9.177 -1.342 8.834 175 1HB LYS 25 2HB LYS 25 7.774 0.873 7.317 176 2HB LYS 25 3HB LYS 25 8.089 1.120 9.024 177 1HG LYS 25 2HG LYS 25 10.244 0.280 7.033 178 2HG LYS 25 3HG LYS 25 9.838 1.968 7.367 179 1HD LYS 25 2HD LYS 25 10.347 1.658 9.769 180 2HD LYS 25 3HD LYS 25 10.800 -0.029 9.474 181 1HE LYS 25 2HE LYS 25 12.592 0.728 7.906 182 2HE LYS 25 3HE LYS 25 12.166 2.414 8.247 183 1HZ LYS 25 1HZ LYS 25 13.160 0.464 10.226 184 2HZ LYS 25 2HZ LYS 25 14.027 1.686 9.555 185 3HZ LYS 25 3HZ LYS 25 12.765 2.029 10.547 186 H LEU 26 H LEU 26 5.757 -1.216 8.000 187 HA LEU 26 HA LEU 26 4.669 -0.819 10.559 188 1HB LEU 26 2HB LEU 26 3.589 -0.964 8.268 189 2HB LEU 26 3HB LEU 26 3.548 -2.699 8.410 190 HG LEU 26 HG LEU 26 1.503 -1.248 8.900 191 1HD1 LEU 26 1HD1 LEU 26 1.495 -3.649 9.135 192 2HD1 LEU 26 2HD1 LEU 26 2.155 -3.517 10.787 193 3HD1 LEU 26 3HD1 LEU 26 0.545 -2.862 10.403 194 1HD2 LEU 26 1HD2 LEU 26 2.615 -1.223 11.733 195 2HD2 LEU 26 2HD2 LEU 26 2.619 0.197 10.662 196 3HD2 LEU 26 3HD2 LEU 26 1.085 -0.544 11.145 197 H GLY 27 H GLY 27 5.910 -3.764 9.003 198 1HA GLY 27 2HA GLY 27 6.769 -5.032 11.265 199 2HA GLY 27 3HA GLY 27 5.047 -5.466 11.218 200 H GLY 28 H GLY 28 4.272 -6.870 9.618 201 1HA GLY 28 2HA GLY 28 6.133 -8.118 7.674 202 2HA GLY 28 3HA GLY 28 5.512 -9.135 8.991 203 H VAL 29 H VAL 29 3.952 -6.478 7.322 204 HA VAL 29 HA VAL 29 1.453 -7.850 6.924 205 HB VAL 29 HB VAL 29 1.382 -5.522 7.337 206 1HG1 VAL 29 1HG1 VAL 29 3.421 -5.160 5.116 207 2HG1 VAL 29 2HG1 VAL 29 2.463 -3.832 5.800 208 3HG1 VAL 29 3HG1 VAL 29 3.572 -4.717 6.825 209 1HG2 VAL 29 1HG2 VAL 29 0.899 -5.853 4.347 210 2HG2 VAL 29 2HG2 VAL 29 -0.246 -6.228 5.663 211 3HG2 VAL 29 3HG2 VAL 29 0.285 -4.568 5.382 212 H LYS 30 H LYS 30 0.708 -8.974 5.122 213 HA LYS 30 HA LYS 30 2.560 -9.299 2.871 214 1HB LYS 30 2HB LYS 30 0.899 -11.072 3.986 215 2HB LYS 30 3HB LYS 30 -0.152 -10.501 2.682 216 1HG LYS 30 2HG LYS 30 2.701 -11.523 2.381 217 2HG LYS 30 3HG LYS 30 1.256 -12.482 2.087 218 1HD LYS 30 2HD LYS 30 0.785 -11.509 0.063 219 2HD LYS 30 3HD LYS 30 1.391 -9.928 0.512 220 1HE LYS 30 2HE LYS 30 3.731 -10.738 0.394 221 2HE LYS 30 3HE LYS 30 3.128 -12.318 -0.177 222 1HZ LYS 30 1HZ LYS 30 2.860 -9.695 -1.518 223 2HZ LYS 30 2HZ LYS 30 3.682 -10.975 -2.103 224 3HZ LYS 30 3HZ LYS 30 2.048 -10.971 -2.031 225 H TYR 31 H TYR 31 2.672 -7.711 1.548 226 HA TYR 31 HA TYR 31 0.257 -6.389 0.383 227 1HB TYR 31 2HB TYR 31 1.952 -4.690 -0.400 228 2HB TYR 31 3HB TYR 31 1.597 -4.707 1.316 229 HD1 TYR 31 HD1 TYR 31 4.167 -6.070 -1.138 230 HD2 TYR 31 HD2 TYR 31 3.288 -4.981 2.915 231 HE1 TYR 31 HE1 TYR 31 6.581 -5.857 -0.685 232 HE2 TYR 31 HE2 TYR 31 5.721 -4.718 3.374 233 HH TYR 31 HH TYR 31 7.708 -4.141 2.141 234 H ASP 32 H ASP 32 0.175 -6.237 -1.931 235 HA ASP 32 HA ASP 32 2.454 -7.247 -3.465 236 1HB ASP 32 2HB ASP 32 -0.381 -8.303 -3.532 237 2HB ASP 32 3HB ASP 32 0.493 -8.131 -5.051 238 H ILE 33 H ILE 33 2.640 -6.102 -5.430 239 HA ILE 33 HA ILE 33 1.074 -3.575 -5.596 240 HB ILE 33 HB ILE 33 4.106 -3.823 -5.433 241 1HG1 ILE 33 2HG1 ILE 33 3.417 -2.050 -3.474 242 2HG1 ILE 33 3HG1 ILE 33 2.012 -3.111 -3.401 243 1HG2 ILE 33 1HG2 ILE 33 4.084 -1.356 -5.495 244 2HG2 ILE 33 2HG2 ILE 33 3.479 -2.062 -6.995 245 3HG2 ILE 33 3HG2 ILE 33 2.336 -1.382 -5.820 246 1HD1 ILE 33 1HD1 ILE 33 3.799 -3.757 -1.850 247 2HD1 ILE 33 2HD1 ILE 33 3.546 -5.046 -3.051 248 3HD1 ILE 33 3HD1 ILE 33 4.940 -3.954 -3.193 249 H ASP 34 H ASP 34 0.469 -3.229 -7.648 250 HA ASP 34 HA ASP 34 2.051 -4.404 -9.890 251 1HB ASP 34 2HB ASP 34 -0.310 -5.062 -9.966 252 2HB ASP 34 3HB ASP 34 -0.801 -3.357 -9.883 253 H LEU 35 H LEU 35 3.235 -3.020 -11.007 254 HA LEU 35 HA LEU 35 3.221 -0.194 -10.337 255 1HB LEU 35 2HB LEU 35 5.032 -1.899 -12.053 256 2HB LEU 35 3HB LEU 35 5.042 -0.135 -12.152 257 HG LEU 35 HG LEU 35 5.371 -0.039 -9.643 258 1HD1 LEU 35 1HD1 LEU 35 6.419 -2.037 -8.589 259 2HD1 LEU 35 2HD1 LEU 35 4.729 -2.331 -9.002 260 3HD1 LEU 35 3HD1 LEU 35 6.018 -2.999 -10.026 261 1HD2 LEU 35 1HD2 LEU 35 7.557 -1.345 -11.303 262 2HD2 LEU 35 2HD2 LEU 35 7.184 0.393 -11.232 263 3HD2 LEU 35 3HD2 LEU 35 7.785 -0.439 -9.789 264 HA PRO 36 HA PRO 36 2.241 0.480 -14.949 265 1HB PRO 36 2HB PRO 36 0.637 -1.429 -16.247 266 2HB PRO 36 3HB PRO 36 2.400 -1.217 -16.420 267 1HG PRO 36 2HG PRO 36 0.923 -3.136 -14.618 268 2HG PRO 36 3HG PRO 36 2.354 -3.462 -15.634 269 1HD PRO 36 2HD PRO 36 2.613 -3.045 -13.021 270 2HD PRO 36 3HD PRO 36 3.780 -2.272 -14.127 271 H ASN 37 H ASN 37 -0.279 -1.443 -13.177 272 HA ASN 37 HA ASN 37 -2.349 0.505 -13.971 273 1HB ASN 37 2HB ASN 37 -2.566 -1.859 -12.074 274 2HB ASN 37 3HB ASN 37 -3.875 -0.903 -12.769 275 1HD2 ASN 37 1HD2 ASN 37 -1.316 -3.225 -13.545 276 2HD2 ASN 37 2HD2 ASN 37 -2.060 -3.808 -15.043 277 H LYS 38 H LYS 38 0.128 0.597 -11.719 278 HA LYS 38 HA LYS 38 0.551 1.543 -9.812 279 1HB LYS 38 2HB LYS 38 -1.583 3.582 -10.518 280 2HB LYS 38 3HB LYS 38 -0.132 3.750 -9.525 281 1HG LYS 38 2HG LYS 38 0.809 4.642 -11.367 282 2HG LYS 38 3HG LYS 38 0.975 2.995 -11.946 283 1HD LYS 38 2HD LYS 38 -1.190 3.166 -13.123 284 2HD LYS 38 3HD LYS 38 -1.458 4.790 -12.474 285 1HE LYS 38 2HE LYS 38 0.894 4.032 -14.273 286 2HE LYS 38 3HE LYS 38 -0.647 4.660 -14.870 287 1HZ LYS 38 1HZ LYS 38 -0.268 6.666 -13.472 288 2HZ LYS 38 2HZ LYS 38 1.146 6.146 -13.024 289 3HZ LYS 38 3HZ LYS 38 0.905 6.467 -14.621 290 H LYS 39 H LYS 39 -0.598 -0.514 -8.884 291 HA LYS 39 HA LYS 39 -2.603 0.412 -6.903 292 1HB LYS 39 2HB LYS 39 -3.054 -1.683 -9.026 293 2HB LYS 39 3HB LYS 39 -3.773 -1.935 -7.436 294 1HG LYS 39 2HG LYS 39 -5.283 -0.242 -7.618 295 2HG LYS 39 3HG LYS 39 -4.156 0.798 -8.474 296 1HD LYS 39 2HD LYS 39 -4.472 -0.729 -10.518 297 2HD LYS 39 3HD LYS 39 -5.842 -1.430 -9.652 298 1HE LYS 39 2HE LYS 39 -6.528 0.349 -11.232 299 2HE LYS 39 3HE LYS 39 -6.942 0.793 -9.568 300 1HZ LYS 39 1HZ LYS 39 -5.185 2.329 -9.514 301 2HZ LYS 39 2HZ LYS 39 -4.450 1.711 -10.856 302 3HZ LYS 39 3HZ LYS 39 -5.865 2.552 -10.982 303 H VAL 40 H VAL 40 -2.725 -0.713 -4.998 304 HA VAL 40 HA VAL 40 -0.608 -2.665 -4.409 305 HB VAL 40 HB VAL 40 -1.577 -0.061 -3.199 306 1HG1 VAL 40 1HG1 VAL 40 -1.643 -1.509 -1.418 307 2HG1 VAL 40 2HG1 VAL 40 -0.057 -2.244 -1.802 308 3HG1 VAL 40 3HG1 VAL 40 -0.166 -0.550 -1.224 309 1HG2 VAL 40 1HG2 VAL 40 1.272 -0.963 -3.707 310 2HG2 VAL 40 2HG2 VAL 40 0.342 0.032 -4.841 311 3HG2 VAL 40 3HG2 VAL 40 0.707 0.649 -3.227 312 H CYS 41 H CYS 41 -1.555 -4.413 -3.638 313 HA CYS 41 HA CYS 41 -4.310 -4.306 -2.460 314 1HB CYS 41 2HB CYS 41 -4.643 -6.576 -3.288 315 2HB CYS 41 3HB CYS 41 -4.436 -5.436 -4.627 316 HG CYS 41 HG CYS 41 -2.107 -7.335 -3.289 317 H ILE 42 H ILE 42 -4.306 -4.929 -0.345 318 HA ILE 42 HA ILE 42 -1.880 -6.386 0.660 319 HB ILE 42 HB ILE 42 -3.301 -4.139 2.089 320 1HG1 ILE 42 2HG1 ILE 42 -0.885 -4.071 0.226 321 2HG1 ILE 42 3HG1 ILE 42 -2.373 -3.112 0.122 322 1HG2 ILE 42 1HG2 ILE 42 -1.368 -4.169 3.564 323 2HG2 ILE 42 2HG2 ILE 42 -2.008 -5.805 3.459 324 3HG2 ILE 42 3HG2 ILE 42 -0.557 -5.363 2.533 325 1HD1 ILE 42 1HD1 ILE 42 -1.701 -1.933 2.234 326 2HD1 ILE 42 2HD1 ILE 42 -0.161 -2.838 2.163 327 3HD1 ILE 42 3HD1 ILE 42 -0.578 -1.697 0.887 328 H GLU 43 H GLU 43 -2.241 -8.037 1.981 329 HA GLU 43 HA GLU 43 -5.047 -8.632 2.792 330 1HB GLU 43 2HB GLU 43 -4.415 -9.605 0.546 331 2HB GLU 43 3HB GLU 43 -3.192 -10.584 1.365 332 1HG GLU 43 2HG GLU 43 -4.931 -11.737 2.640 333 2HG GLU 43 3HG GLU 43 -6.169 -10.614 2.046 334 H SER 44 H SER 44 -4.794 -8.532 5.006 335 HA SER 44 HA SER 44 -2.720 -10.133 6.309 336 1HB SER 44 2HB SER 44 -1.480 -8.162 5.453 337 2HB SER 44 3HB SER 44 -2.578 -7.102 6.342 338 HG SER 44 HG SER 44 -1.084 -7.354 7.824 339 H GLU 45 H GLU 45 -3.025 -10.370 8.502 340 HA GLU 45 HA GLU 45 -5.740 -9.992 9.382 341 1HB GLU 45 2HB GLU 45 -3.364 -11.289 10.765 342 2HB GLU 45 3HB GLU 45 -5.066 -11.443 11.217 343 1HG GLU 45 2HG GLU 45 -5.555 -12.457 8.982 344 2HG GLU 45 3HG GLU 45 -3.826 -12.408 8.593 345 H HIS 46 H HIS 46 -4.921 -7.443 9.219 346 HA HIS 46 HA HIS 46 -5.397 -6.671 12.033 347 1HB HIS 46 2HB HIS 46 -3.813 -4.720 11.853 348 2HB HIS 46 3HB HIS 46 -3.023 -6.297 11.936 349 HD1 HIS 46 1HD HIS 46 -4.323 -4.229 8.883 350 HD2 HIS 46 2HD HIS 46 -1.066 -6.523 10.279 351 HE1 HIS 46 1HE HIS 46 -2.790 -4.623 6.923 352 H SER 47 H SER 47 -5.946 -4.089 11.906 353 HA SER 47 HA SER 47 -8.152 -3.965 10.032 354 1HB SER 47 2HB SER 47 -8.099 -2.879 12.359 355 2HB SER 47 3HB SER 47 -7.201 -1.558 11.567 356 HG SER 47 HG SER 47 -9.208 -0.976 11.007 357 H MET 48 H MET 48 -8.481 -1.819 8.984 358 HA MET 48 HA MET 48 -6.605 -1.647 6.709 359 1HB MET 48 2HB MET 48 -9.102 0.041 7.020 360 2HB MET 48 3HB MET 48 -8.335 -0.590 5.554 361 1HG MET 48 2HG MET 48 -9.008 -2.928 6.432 362 2HG MET 48 3HG MET 48 -9.991 -2.070 7.628 363 1HE MET 48 1HE MET 48 -11.294 -4.266 5.968 364 2HE MET 48 2HE MET 48 -12.110 -3.216 7.153 365 3HE MET 48 3HE MET 48 -12.813 -3.445 5.543 366 H ASP 49 H ASP 49 -7.914 0.256 9.401 367 HA ASP 49 HA ASP 49 -7.014 2.798 8.919 368 1HB ASP 49 2HB ASP 49 -6.924 1.452 11.659 369 2HB ASP 49 3HB ASP 49 -7.209 3.158 11.297 370 H THR 50 H THR 50 -5.368 0.225 10.592 371 HA THR 50 HA THR 50 -2.888 1.119 11.224 372 HB THR 50 HB THR 50 -3.386 -1.542 9.811 373 HG1 THR 50 1HG THR 50 -4.177 -2.177 11.920 374 1HG2 THR 50 1HG2 THR 50 -1.770 -0.799 12.290 375 2HG2 THR 50 2HG2 THR 50 -1.894 -2.414 11.556 376 3HG2 THR 50 3HG2 THR 50 -1.109 -1.097 10.666 377 H LEU 51 H LEU 51 -3.940 -0.061 7.975 378 HA LEU 51 HA LEU 51 -1.288 0.241 6.827 379 1HB LEU 51 2HB LEU 51 -4.001 -0.108 5.469 380 2HB LEU 51 3HB LEU 51 -2.409 -0.201 4.696 381 HG LEU 51 HG LEU 51 -3.443 -2.055 6.924 382 1HD1 LEU 51 1HD1 LEU 51 -3.446 -3.754 5.062 383 2HD1 LEU 51 2HD1 LEU 51 -4.620 -2.454 4.867 384 3HD1 LEU 51 3HD1 LEU 51 -3.114 -2.433 3.930 385 1HD2 LEU 51 1HD2 LEU 51 -1.296 -3.335 6.136 386 2HD2 LEU 51 2HD2 LEU 51 -0.795 -1.789 5.478 387 3HD2 LEU 51 3HD2 LEU 51 -1.085 -1.963 7.221 388 H LEU 52 H LEU 52 -4.399 2.018 6.540 389 HA LEU 52 HA LEU 52 -3.494 4.051 4.825 390 1HB LEU 52 2HB LEU 52 -5.574 3.829 6.967 391 2HB LEU 52 3HB LEU 52 -5.205 5.448 6.375 392 HG LEU 52 HG LEU 52 -6.009 3.115 4.600 393 1HD1 LEU 52 1HD1 LEU 52 -7.735 5.347 5.738 394 2HD1 LEU 52 2HD1 LEU 52 -8.248 4.136 4.543 395 3HD1 LEU 52 3HD1 LEU 52 -7.811 3.627 6.181 396 1HD2 LEU 52 1HD2 LEU 52 -4.855 4.906 3.329 397 2HD2 LEU 52 2HD2 LEU 52 -6.585 4.983 2.994 398 3HD2 LEU 52 3HD2 LEU 52 -5.862 6.137 4.119 399 H ALA 53 H ALA 53 -3.425 4.065 8.420 400 HA ALA 53 HA ALA 53 -2.024 6.514 8.703 401 1HB ALA 53 1HB ALA 53 -2.062 4.071 10.537 402 2HB ALA 53 2HB ALA 53 -1.577 5.715 11.004 403 3HB ALA 53 3HB ALA 53 -3.259 5.383 10.541 404 H THR 54 H THR 54 -0.707 3.185 8.533 405 HA THR 54 HA THR 54 2.023 3.867 8.785 406 HB THR 54 HB THR 54 0.660 1.726 7.087 407 HG1 THR 54 1HG THR 54 0.258 1.501 9.247 408 1HG2 THR 54 1HG2 THR 54 2.990 2.103 6.294 409 2HG2 THR 54 2HG2 THR 54 3.565 1.824 7.959 410 3HG2 THR 54 3HG2 THR 54 2.721 0.548 7.048 411 H LEU 55 H LEU 55 0.124 3.524 5.726 412 HA LEU 55 HA LEU 55 2.448 4.187 4.207 413 1HB LEU 55 2HB LEU 55 1.212 3.633 2.346 414 2HB LEU 55 3HB LEU 55 0.944 2.475 3.620 415 HG LEU 55 HG LEU 55 -1.254 3.918 4.049 416 1HD1 LEU 55 1HD1 LEU 55 -0.567 5.630 2.396 417 2HD1 LEU 55 2HD1 LEU 55 -0.492 4.362 1.187 418 3HD1 LEU 55 3HD1 LEU 55 -2.073 4.823 1.899 419 1HD2 LEU 55 1HD2 LEU 55 -2.385 2.378 2.438 420 2HD2 LEU 55 2HD2 LEU 55 -0.820 2.047 1.658 421 3HD2 LEU 55 3HD2 LEU 55 -1.110 1.515 3.330 422 H LYS 56 H LYS 56 -0.428 5.945 5.042 423 HA LYS 56 HA LYS 56 -0.519 8.208 3.574 424 1HB LYS 56 2HB LYS 56 -0.790 7.658 6.515 425 2HB LYS 56 3HB LYS 56 -0.671 9.342 6.098 426 1HG LYS 56 2HG LYS 56 -2.551 9.246 4.582 427 2HG LYS 56 3HG LYS 56 -2.693 7.489 4.786 428 1HD LYS 56 2HD LYS 56 -3.092 7.774 7.189 429 2HD LYS 56 3HD LYS 56 -2.879 9.528 7.051 430 1HE LYS 56 2HE LYS 56 -4.874 9.661 5.559 431 2HE LYS 56 3HE LYS 56 -5.065 7.903 5.636 432 1HZ LYS 56 1HZ LYS 56 -5.317 9.746 7.922 433 2HZ LYS 56 2HZ LYS 56 -6.555 9.018 7.127 434 3HZ LYS 56 3HZ LYS 56 -5.496 8.110 7.991 435 H LYS 57 H LYS 57 1.864 7.621 6.078 436 HA LYS 57 HA LYS 57 3.249 9.991 6.329 437 1HB LYS 57 2HB LYS 57 4.131 7.113 6.361 438 2HB LYS 57 3HB LYS 57 5.186 8.447 6.907 439 1HG LYS 57 2HG LYS 57 3.444 9.067 8.575 440 2HG LYS 57 3HG LYS 57 2.432 7.725 8.002 441 1HD LYS 57 2HD LYS 57 4.221 6.108 8.559 442 2HD LYS 57 3HD LYS 57 5.170 7.425 9.287 443 1HE LYS 57 2HE LYS 57 3.356 7.852 10.920 444 2HE LYS 57 3HE LYS 57 2.323 6.649 10.132 445 1HZ LYS 57 1HZ LYS 57 3.344 5.764 12.082 446 2HZ LYS 57 2HZ LYS 57 3.879 4.953 10.758 447 3HZ LYS 57 3HZ LYS 57 4.856 6.053 11.503 448 H THR 58 H THR 58 3.484 7.697 3.583 449 HA THR 58 HA THR 58 5.946 8.718 2.524 450 HB THR 58 HB THR 58 5.276 7.653 0.429 451 HG1 THR 58 1HG THR 58 2.858 6.966 1.760 452 1HG2 THR 58 1HG2 THR 58 6.303 6.307 2.195 453 2HG2 THR 58 2HG2 THR 58 4.702 5.970 2.884 454 3HG2 THR 58 3HG2 THR 58 5.123 5.355 1.266 455 H GLY 59 H GLY 59 2.608 9.864 2.333 456 1HA GLY 59 2HA GLY 59 1.629 11.591 1.246 457 2HA GLY 59 3HA GLY 59 3.229 12.363 1.215 458 H LYS 60 H LYS 60 1.884 9.416 -0.395 459 HA LYS 60 HA LYS 60 2.341 10.697 -3.066 460 1HB LYS 60 2HB LYS 60 1.940 7.735 -2.580 461 2HB LYS 60 3HB LYS 60 2.483 8.533 -4.037 462 1HG LYS 60 2HG LYS 60 3.958 7.790 -1.536 463 2HG LYS 60 3HG LYS 60 4.379 7.470 -3.202 464 1HD LYS 60 2HD LYS 60 4.827 9.947 -1.552 465 2HD LYS 60 3HD LYS 60 6.015 8.954 -2.347 466 1HE LYS 60 2HE LYS 60 5.912 10.117 -4.289 467 2HE LYS 60 3HE LYS 60 4.158 10.191 -4.297 468 1HZ LYS 60 1HZ LYS 60 5.936 11.935 -2.721 469 2HZ LYS 60 2HZ LYS 60 5.043 12.376 -4.034 470 3HZ LYS 60 3HZ LYS 60 4.303 11.960 -2.619 471 H THR 61 H THR 61 0.601 9.908 -4.710 472 HA THR 61 HA THR 61 -1.982 10.452 -3.734 473 HB THR 61 HB THR 61 -1.275 9.146 -6.374 474 HG1 THR 61 1HG THR 61 -0.650 11.829 -5.732 475 1HG2 THR 61 1HG2 THR 61 -2.775 10.885 -7.276 476 2HG2 THR 61 2HG2 THR 61 -3.603 9.958 -6.008 477 3HG2 THR 61 3HG2 THR 61 -2.971 11.583 -5.651 478 H VAL 62 H VAL 62 -1.113 8.253 -2.234 479 HA VAL 62 HA VAL 62 -2.213 5.778 -3.400 480 HB VAL 62 HB VAL 62 -0.130 5.488 -2.459 481 1HG1 VAL 62 1HG1 VAL 62 -1.067 6.675 0.173 482 2HG1 VAL 62 2HG1 VAL 62 0.488 5.869 -0.142 483 3HG1 VAL 62 3HG1 VAL 62 0.112 7.375 -0.945 484 1HG2 VAL 62 1HG2 VAL 62 -0.548 3.658 -0.989 485 2HG2 VAL 62 2HG2 VAL 62 -2.118 4.326 -0.481 486 3HG2 VAL 62 3HG2 VAL 62 -1.896 3.741 -2.128 487 H SER 63 H SER 63 -4.363 6.158 -3.532 488 HA SER 63 HA SER 63 -5.898 6.937 -1.094 489 1HB SER 63 2HB SER 63 -6.730 6.634 -4.005 490 2HB SER 63 3HB SER 63 -7.751 7.238 -2.681 491 HG SER 63 HG SER 63 -6.686 8.918 -3.928 492 H TYR 64 H TYR 64 -7.280 5.479 -0.103 493 HA TYR 64 HA TYR 64 -7.093 2.626 -0.725 494 1HB TYR 64 2HB TYR 64 -7.117 3.214 1.567 495 2HB TYR 64 3HB TYR 64 -8.477 4.317 1.361 496 HD1 TYR 64 HD1 TYR 64 -7.588 0.665 1.145 497 HD2 TYR 64 HD2 TYR 64 -10.693 3.599 1.728 498 HE1 TYR 64 HE1 TYR 64 -9.225 -1.135 1.588 499 HE2 TYR 64 HE2 TYR 64 -12.300 1.797 2.247 500 HH TYR 64 HH TYR 64 -12.616 -0.476 2.503 501 H LEU 65 H LEU 65 -8.644 1.438 -1.951 502 HA LEU 65 HA LEU 65 -11.375 2.433 -2.071 503 1HB LEU 65 2HB LEU 65 -11.488 2.348 -4.486 504 2HB LEU 65 3HB LEU 65 -10.499 3.646 -3.845 505 HG LEU 65 HG LEU 65 -9.156 3.157 -5.495 506 1HD1 LEU 65 1HD1 LEU 65 -8.312 0.802 -3.795 507 2HD1 LEU 65 2HD1 LEU 65 -7.409 1.435 -5.159 508 3HD1 LEU 65 3HD1 LEU 65 -7.683 2.476 -3.746 509 1HD2 LEU 65 1HD2 LEU 65 -9.095 1.308 -6.890 510 2HD2 LEU 65 2HD2 LEU 65 -9.628 0.208 -5.623 511 3HD2 LEU 65 3HD2 LEU 65 -10.800 1.331 -6.376 512 H GLY 66 H GLY 66 -11.291 0.316 -0.662 513 1HA GLY 66 2HA GLY 66 -13.208 -1.136 -1.083 514 2HA GLY 66 3HA GLY 66 -12.493 -1.628 -2.619 515 H LEU 67 H LEU 67 -13.049 -3.733 -1.386 516 HA LEU 67 HA LEU 67 -10.728 -4.849 -0.105 517 1HB LEU 67 2HB LEU 67 -11.803 -5.386 1.984 518 2HB LEU 67 3HB LEU 67 -11.890 -3.642 1.779 519 HG LEU 67 HG LEU 67 -14.151 -5.666 1.353 520 1HD1 LEU 67 1HD1 LEU 67 -13.749 -3.532 3.473 521 2HD1 LEU 67 2HD1 LEU 67 -15.086 -4.698 3.384 522 3HD1 LEU 67 3HD1 LEU 67 -13.440 -5.271 3.710 523 1HD2 LEU 67 1HD2 LEU 67 -15.626 -3.595 1.334 524 2HD2 LEU 67 2HD2 LEU 67 -14.161 -2.624 1.091 525 3HD2 LEU 67 3HD2 LEU 67 -14.675 -3.821 -0.127 526 H GLU 68 H GLU 68 -11.121 -7.227 0.315 527 HA GLU 68 HA GLU 68 -13.444 -8.449 -0.954 528 1HB GLU 68 2HB GLU 68 -11.608 -8.166 -2.741 529 2HB GLU 68 3HB GLU 68 -10.573 -9.149 -1.699 530 1HG GLU 68 2HG GLU 68 -12.267 -11.005 -1.846 531 2HG GLU 68 3HG GLU 68 -13.128 -10.047 -3.066 Start of MODEL 4 1 1H MET 1 H1 MET 1 -8.424 -6.611 6.733 2 2H MET 1 H2 MET 1 -7.223 -6.256 7.818 3 3H MET 1 H3 MET 1 -6.870 -6.957 6.412 4 HA MET 1 HA MET 1 -6.799 -8.452 8.316 5 1HB MET 1 2HB MET 1 -9.756 -7.882 8.446 6 2HB MET 1 3HB MET 1 -9.006 -9.350 9.110 7 1HG MET 1 2HG MET 1 -7.435 -7.866 10.414 8 2HG MET 1 3HG MET 1 -8.384 -6.471 9.886 9 1HE MET 1 1HE MET 1 -10.914 -6.072 10.617 10 2HE MET 1 2HE MET 1 -11.416 -7.703 10.091 11 3HE MET 1 3HE MET 1 -11.792 -7.144 11.733 12 HA PRO 2 HA PRO 2 -8.137 -10.940 4.593 13 1HB PRO 2 2HB PRO 2 -10.338 -10.603 3.170 14 2HB PRO 2 3HB PRO 2 -10.483 -11.206 4.820 15 1HG PRO 2 2HG PRO 2 -10.800 -8.306 3.979 16 2HG PRO 2 3HG PRO 2 -11.966 -9.308 4.885 17 1HD PRO 2 2HD PRO 2 -10.108 -7.691 6.121 18 2HD PRO 2 3HD PRO 2 -10.664 -9.239 6.836 19 H LYS 3 H LYS 3 -9.399 -9.197 2.116 20 HA LYS 3 HA LYS 3 -6.777 -7.942 1.617 21 1HB LYS 3 2HB LYS 3 -7.517 -9.670 0.190 22 2HB LYS 3 3HB LYS 3 -9.026 -8.803 -0.182 23 1HG LYS 3 2HG LYS 3 -7.651 -6.992 -1.257 24 2HG LYS 3 3HG LYS 3 -6.213 -7.991 -0.994 25 1HD LYS 3 2HD LYS 3 -8.672 -8.664 -2.716 26 2HD LYS 3 3HD LYS 3 -7.060 -8.226 -3.274 27 1HE LYS 3 2HE LYS 3 -7.086 -10.565 -3.517 28 2HE LYS 3 3HE LYS 3 -6.197 -10.301 -2.015 29 1HZ LYS 3 1HZ LYS 3 -7.657 -11.872 -1.333 30 2HZ LYS 3 2HZ LYS 3 -8.617 -10.614 -1.055 31 3HZ LYS 3 3HZ LYS 3 -8.885 -11.416 -2.425 32 H HIS 4 H HIS 4 -6.584 -5.840 0.896 33 HA HIS 4 HA HIS 4 -8.945 -4.118 0.679 34 1HB HIS 4 2HB HIS 4 -7.148 -2.506 2.074 35 2HB HIS 4 3HB HIS 4 -8.666 -3.181 2.646 36 HD1 HIS 4 1HD HIS 4 -5.239 -4.989 2.358 37 HD2 HIS 4 2HD HIS 4 -8.435 -4.235 4.947 38 HE1 HIS 4 1HE HIS 4 -4.723 -6.238 4.506 39 H GLU 5 H GLU 5 -8.738 -2.692 -0.954 40 HA GLU 5 HA GLU 5 -6.301 -2.838 -2.646 41 1HB GLU 5 2HB GLU 5 -9.275 -2.352 -3.020 42 2HB GLU 5 3HB GLU 5 -8.137 -1.770 -4.224 43 1HG GLU 5 2HG GLU 5 -7.768 -4.602 -3.355 44 2HG GLU 5 3HG GLU 5 -9.195 -4.203 -4.322 45 H PHE 6 H PHE 6 -5.261 -1.003 -3.341 46 HA PHE 6 HA PHE 6 -6.324 1.626 -2.558 47 1HB PHE 6 2HB PHE 6 -3.466 0.633 -2.076 48 2HB PHE 6 3HB PHE 6 -4.031 2.230 -1.669 49 HD1 PHE 6 1HD PHE 6 -4.628 2.636 0.632 50 HD2 PHE 6 2HD PHE 6 -4.423 -1.421 -0.851 51 HE1 PHE 6 1HE PHE 6 -4.777 1.762 2.928 52 HE2 PHE 6 2HE PHE 6 -4.716 -2.267 1.438 53 HZ PHE 6 HZ PHE 6 -4.940 -0.681 3.341 54 H SER 7 H SER 7 -6.033 3.106 -4.150 55 HA SER 7 HA SER 7 -4.524 2.254 -6.588 56 1HB SER 7 2HB SER 7 -6.982 2.978 -6.828 57 2HB SER 7 3HB SER 7 -6.409 4.623 -6.464 58 HG SER 7 HG SER 7 -4.957 4.336 -8.279 59 H VAL 8 H VAL 8 -2.804 3.493 -7.279 60 HA VAL 8 HA VAL 8 -1.867 5.724 -5.572 61 HB VAL 8 HB VAL 8 -0.288 3.306 -6.618 62 1HG1 VAL 8 1HG1 VAL 8 1.188 4.023 -4.621 63 2HG1 VAL 8 2HG1 VAL 8 1.198 5.010 -6.075 64 3HG1 VAL 8 3HG1 VAL 8 0.261 5.541 -4.654 65 1HG2 VAL 8 1HG2 VAL 8 -0.380 2.535 -4.165 66 2HG2 VAL 8 2HG2 VAL 8 -1.788 3.588 -4.007 67 3HG2 VAL 8 3HG2 VAL 8 -1.800 2.241 -5.160 68 H ASP 9 H ASP 9 0.188 6.715 -6.837 69 HA ASP 9 HA ASP 9 0.173 5.967 -9.643 70 1HB ASP 9 2HB ASP 9 -0.857 8.240 -9.525 71 2HB ASP 9 3HB ASP 9 0.640 8.847 -8.806 72 H MET 10 H MET 10 2.317 6.229 -10.526 73 HA MET 10 HA MET 10 4.584 6.154 -8.647 74 1HB MET 10 2HB MET 10 3.707 3.643 -10.162 75 2HB MET 10 3HB MET 10 5.210 3.847 -9.264 76 1HG MET 10 2HG MET 10 3.755 4.417 -7.234 77 2HG MET 10 3HG MET 10 2.388 3.785 -8.153 78 1HE MET 10 1HE MET 10 3.148 1.130 -5.352 79 2HE MET 10 2HE MET 10 3.321 2.892 -5.264 80 3HE MET 10 3HE MET 10 1.903 2.170 -6.077 81 H THR 11 H THR 11 5.860 7.550 -9.730 82 HA THR 11 HA THR 11 5.968 7.683 -12.615 83 HB THR 11 HB THR 11 7.831 9.352 -11.893 84 HG1 THR 11 1HG THR 11 7.660 9.871 -9.649 85 1HG2 THR 11 1HG2 THR 11 5.525 10.053 -12.486 86 2HG2 THR 11 2HG2 THR 11 4.980 9.713 -10.832 87 3HG2 THR 11 3HG2 THR 11 6.152 11.014 -11.134 88 H CYS 12 H CYS 12 7.786 5.994 -10.056 89 HA CYS 12 HA CYS 12 9.537 4.782 -12.116 90 1HB CYS 12 2HB CYS 12 10.807 6.743 -11.281 91 2HB CYS 12 3HB CYS 12 10.504 6.236 -9.602 92 HG CYS 12 HG CYS 12 12.968 5.723 -10.203 93 H GLY 13 H GLY 13 10.381 2.721 -11.325 94 1HA GLY 13 2HA GLY 13 8.793 1.098 -9.716 95 2HA GLY 13 3HA GLY 13 10.527 0.862 -9.996 96 H GLY 14 H GLY 14 11.479 3.262 -8.702 97 1HA GLY 14 2HA GLY 14 11.680 2.439 -6.034 98 2HA GLY 14 3HA GLY 14 12.047 4.073 -6.623 99 H CYS 15 H CYS 15 9.110 4.311 -7.580 100 HA CYS 15 HA CYS 15 8.072 5.526 -5.210 101 1HB CYS 15 2HB CYS 15 7.535 6.296 -7.467 102 2HB CYS 15 3HB CYS 15 6.513 4.846 -7.678 103 HG CYS 15 HG CYS 15 5.131 5.267 -5.436 104 H ALA 16 H ALA 16 7.904 2.265 -6.621 105 HA ALA 16 HA ALA 16 5.710 1.353 -4.937 106 1HB ALA 16 1HB ALA 16 6.413 -0.893 -5.591 107 2HB ALA 16 2HB ALA 16 6.297 0.141 -7.028 108 3HB ALA 16 3HB ALA 16 7.882 -0.277 -6.340 109 H GLU 17 H GLU 17 9.313 0.951 -4.880 110 HA GLU 17 HA GLU 17 9.616 -0.228 -2.409 111 1HB GLU 17 2HB GLU 17 11.270 1.878 -3.832 112 2HB GLU 17 3HB GLU 17 11.757 1.197 -2.294 113 1HG GLU 17 2HG GLU 17 10.928 -0.919 -4.203 114 2HG GLU 17 3HG GLU 17 12.239 0.084 -4.816 115 H ALA 18 H ALA 18 9.094 3.269 -2.999 116 HA ALA 18 HA ALA 18 9.372 4.230 -0.386 117 1HB ALA 18 1HB ALA 18 7.180 5.039 -2.340 118 2HB ALA 18 2HB ALA 18 7.802 5.993 -0.988 119 3HB ALA 18 3HB ALA 18 8.855 5.643 -2.379 120 H VAL 19 H VAL 19 6.525 2.636 -1.845 121 HA VAL 19 HA VAL 19 4.892 2.839 0.544 122 HB VAL 19 HB VAL 19 4.548 1.299 -2.065 123 1HG1 VAL 19 1HG1 VAL 19 2.182 1.083 -1.347 124 2HG1 VAL 19 2HG1 VAL 19 3.282 0.144 -0.355 125 3HG1 VAL 19 3HG1 VAL 19 2.622 1.696 0.251 126 1HG2 VAL 19 1HG2 VAL 19 3.271 3.867 -1.023 127 2HG2 VAL 19 2HG2 VAL 19 4.471 3.764 -2.329 128 3HG2 VAL 19 3HG2 VAL 19 2.870 3.045 -2.545 129 H SER 20 H SER 20 6.483 0.137 -1.264 130 HA SER 20 HA SER 20 5.815 -1.946 0.391 131 1HB SER 20 2HB SER 20 8.480 -1.633 -1.043 132 2HB SER 20 3HB SER 20 7.626 -3.140 -0.694 133 HG SER 20 HG SER 20 5.902 -2.321 -2.032 134 H ARG 21 H ARG 21 8.602 0.282 0.813 135 HA ARG 21 HA ARG 21 9.725 -1.168 3.005 136 1HB ARG 21 2HB ARG 21 10.134 1.676 2.042 137 2HB ARG 21 3HB ARG 21 11.058 0.911 3.351 138 1HG ARG 21 2HG ARG 21 11.748 -0.923 1.822 139 2HG ARG 21 3HG ARG 21 10.874 -0.172 0.493 140 1HD ARG 21 2HD ARG 21 12.312 1.874 0.763 141 2HD ARG 21 3HD ARG 21 13.241 0.976 1.996 142 HE ARG 21 HE ARG 21 12.933 -0.408 -0.590 143 1HH1 ARG 21 2HH2 ARG 21 14.916 1.930 1.154 144 2HH1 ARG 21 1HH2 ARG 21 16.339 1.682 0.186 145 1HH2 ARG 21 2HH1 ARG 21 14.740 -0.624 -2.001 146 2HH2 ARG 21 1HH1 ARG 21 16.250 0.132 -1.617 147 H VAL 22 H VAL 22 7.532 1.840 3.051 148 HA VAL 22 HA VAL 22 7.575 1.922 5.853 149 HB VAL 22 HB VAL 22 7.060 3.816 4.408 150 1HG1 VAL 22 1HG1 VAL 22 5.690 2.859 2.677 151 2HG1 VAL 22 2HG1 VAL 22 4.462 2.340 3.857 152 3HG1 VAL 22 3HG1 VAL 22 4.722 4.054 3.537 153 1HG2 VAL 22 1HG2 VAL 22 6.323 3.705 6.756 154 2HG2 VAL 22 2HG2 VAL 22 5.258 4.708 5.728 155 3HG2 VAL 22 3HG2 VAL 22 4.745 3.073 6.196 156 H LEU 23 H LEU 23 5.421 0.181 3.506 157 HA LEU 23 HA LEU 23 3.710 -0.880 5.574 158 1HB LEU 23 2HB LEU 23 4.408 -1.701 2.733 159 2HB LEU 23 3HB LEU 23 3.573 -2.804 3.795 160 HG LEU 23 HG LEU 23 1.960 -1.821 2.477 161 1HD1 LEU 23 1HD1 LEU 23 1.354 -2.177 4.905 162 2HD1 LEU 23 2HD1 LEU 23 1.644 -0.443 5.183 163 3HD1 LEU 23 3HD1 LEU 23 0.385 -0.948 4.063 164 1HD2 LEU 23 1HD2 LEU 23 2.835 0.881 3.485 165 2HD2 LEU 23 2HD2 LEU 23 3.190 0.169 1.895 166 3HD2 LEU 23 3HD2 LEU 23 1.511 0.536 2.336 167 H ASN 24 H ASN 24 6.764 -2.220 4.133 168 HA ASN 24 HA ASN 24 6.830 -4.562 5.714 169 1HB ASN 24 2HB ASN 24 8.415 -4.478 4.032 170 2HB ASN 24 3HB ASN 24 8.914 -2.831 4.411 171 1HD2 ASN 24 1HD2 ASN 24 10.188 -2.413 6.265 172 2HD2 ASN 24 2HD2 ASN 24 11.256 -3.675 6.899 173 H LYS 25 H LYS 25 7.969 -1.281 6.487 174 HA LYS 25 HA LYS 25 9.034 -1.751 9.043 175 1HB LYS 25 2HB LYS 25 7.821 0.614 7.604 176 2HB LYS 25 3HB LYS 25 8.050 0.752 9.335 177 1HG LYS 25 2HG LYS 25 10.276 -0.087 7.423 178 2HG LYS 25 3HG LYS 25 9.929 1.601 7.824 179 1HD LYS 25 2HD LYS 25 10.271 1.139 10.233 180 2HD LYS 25 3HD LYS 25 10.671 -0.548 9.869 181 1HE LYS 25 2HE LYS 25 12.590 0.211 8.463 182 2HE LYS 25 3HE LYS 25 12.209 1.895 8.863 183 1HZ LYS 25 1HZ LYS 25 12.643 1.374 11.172 184 2HZ LYS 25 2HZ LYS 25 12.996 -0.190 10.796 185 3HZ LYS 25 3HZ LYS 25 13.952 1.025 10.244 186 H LEU 26 H LEU 26 5.658 -1.407 8.088 187 HA LEU 26 HA LEU 26 4.465 -1.081 10.589 188 1HB LEU 26 2HB LEU 26 3.490 -1.233 8.181 189 2HB LEU 26 3HB LEU 26 3.365 -2.948 8.423 190 HG LEU 26 HG LEU 26 1.403 -1.296 8.792 191 1HD1 LEU 26 1HD1 LEU 26 0.222 -2.846 10.162 192 2HD1 LEU 26 2HD1 LEU 26 1.187 -3.683 8.934 193 3HD1 LEU 26 3HD1 LEU 26 1.740 -3.661 10.630 194 1HD2 LEU 26 1HD2 LEU 26 0.908 -0.682 11.067 195 2HD2 LEU 26 2HD2 LEU 26 2.385 -1.452 11.672 196 3HD2 LEU 26 3HD2 LEU 26 2.487 0.011 10.667 197 H GLY 27 H GLY 27 5.713 -4.004 9.025 198 1HA GLY 27 2HA GLY 27 6.430 -5.308 11.350 199 2HA GLY 27 3HA GLY 27 4.736 -5.783 11.123 200 H GLY 28 H GLY 28 4.162 -7.143 9.394 201 1HA GLY 28 2HA GLY 28 6.261 -8.280 7.627 202 2HA GLY 28 3HA GLY 28 5.484 -9.362 8.802 203 H VAL 29 H VAL 29 4.061 -6.614 7.167 204 HA VAL 29 HA VAL 29 1.659 -7.923 6.455 205 HB VAL 29 HB VAL 29 1.753 -5.571 6.916 206 1HG1 VAL 29 1HG1 VAL 29 3.528 -5.243 4.475 207 2HG1 VAL 29 2HG1 VAL 29 2.825 -3.951 5.482 208 3HG1 VAL 29 3HG1 VAL 29 4.046 -5.028 6.150 209 1HG2 VAL 29 1HG2 VAL 29 0.061 -6.343 5.215 210 2HG2 VAL 29 2HG2 VAL 29 0.516 -4.638 5.064 211 3HG2 VAL 29 3HG2 VAL 29 1.180 -5.832 3.937 212 H LYS 30 H LYS 30 0.922 -8.813 4.596 213 HA LYS 30 HA LYS 30 2.782 -9.226 2.343 214 1HB LYS 30 2HB LYS 30 1.234 -11.035 3.536 215 2HB LYS 30 3HB LYS 30 0.051 -10.455 2.360 216 1HG LYS 30 2HG LYS 30 2.871 -11.444 1.760 217 2HG LYS 30 3HG LYS 30 1.418 -12.426 1.606 218 1HD LYS 30 2HD LYS 30 0.691 -11.394 -0.330 219 2HD LYS 30 3HD LYS 30 1.418 -9.847 0.050 220 1HE LYS 30 2HE LYS 30 3.693 -10.778 -0.333 221 2HE LYS 30 3HE LYS 30 2.933 -12.297 -0.886 222 1HZ LYS 30 1HZ LYS 30 1.719 -10.797 -2.530 223 2HZ LYS 30 2HZ LYS 30 2.683 -9.603 -2.077 224 3HZ LYS 30 3HZ LYS 30 3.322 -10.909 -2.821 225 H TYR 31 H TYR 31 2.788 -7.620 1.040 226 HA TYR 31 HA TYR 31 0.292 -6.348 0.006 227 1HB TYR 31 2HB TYR 31 1.957 -4.623 -0.887 228 2HB TYR 31 3HB TYR 31 1.504 -4.588 0.805 229 HD1 TYR 31 HD1 TYR 31 4.266 -6.074 -1.371 230 HD2 TYR 31 HD2 TYR 31 3.095 -4.428 2.421 231 HE1 TYR 31 HE1 TYR 31 6.643 -5.830 -0.750 232 HE2 TYR 31 HE2 TYR 31 5.491 -4.206 3.061 233 HH TYR 31 HH TYR 31 7.585 -3.924 2.075 234 H ASP 32 H ASP 32 0.114 -6.164 -2.273 235 HA ASP 32 HA ASP 32 2.260 -7.250 -3.976 236 1HB ASP 32 2HB ASP 32 -0.707 -7.948 -3.981 237 2HB ASP 32 3HB ASP 32 0.233 -7.936 -5.474 238 H ILE 33 H ILE 33 2.806 -5.728 -5.412 239 HA ILE 33 HA ILE 33 1.111 -3.271 -5.617 240 HB ILE 33 HB ILE 33 4.143 -3.518 -5.608 241 1HG1 ILE 33 2HG1 ILE 33 3.545 -1.809 -3.572 242 2HG1 ILE 33 3HG1 ILE 33 2.107 -2.832 -3.492 243 1HG2 ILE 33 1HG2 ILE 33 4.080 -1.058 -5.625 244 2HG2 ILE 33 2HG2 ILE 33 3.400 -1.729 -7.109 245 3HG2 ILE 33 3HG2 ILE 33 2.314 -1.102 -5.848 246 1HD1 ILE 33 1HD1 ILE 33 3.549 -4.816 -3.195 247 2HD1 ILE 33 2HD1 ILE 33 4.996 -3.809 -3.434 248 3HD1 ILE 33 3HD1 ILE 33 3.959 -3.551 -2.016 249 H ASP 34 H ASP 34 0.114 -3.410 -7.535 250 HA ASP 34 HA ASP 34 1.495 -4.428 -9.945 251 1HB ASP 34 2HB ASP 34 -0.929 -4.749 -9.705 252 2HB ASP 34 3HB ASP 34 -1.147 -2.999 -9.537 253 H LEU 35 H LEU 35 3.114 -3.159 -10.583 254 HA LEU 35 HA LEU 35 3.307 -0.355 -9.981 255 1HB LEU 35 2HB LEU 35 5.258 -1.781 -9.970 256 2HB LEU 35 3HB LEU 35 5.023 -2.207 -11.665 257 HG LEU 35 HG LEU 35 5.487 0.138 -12.335 258 1HD1 LEU 35 1HD1 LEU 35 6.056 0.582 -9.365 259 2HD1 LEU 35 2HD1 LEU 35 6.467 1.711 -10.668 260 3HD1 LEU 35 3HD1 LEU 35 4.772 1.365 -10.316 261 1HD2 LEU 35 1HD2 LEU 35 7.618 -1.071 -10.522 262 2HD2 LEU 35 2HD2 LEU 35 7.304 -1.538 -12.208 263 3HD2 LEU 35 3HD2 LEU 35 7.889 0.093 -11.837 264 HA PRO 36 HA PRO 36 2.721 0.286 -14.717 265 1HB PRO 36 2HB PRO 36 0.968 -1.464 -16.023 266 2HB PRO 36 3HB PRO 36 2.748 -1.475 -16.128 267 1HG PRO 36 2HG PRO 36 0.975 -3.156 -14.374 268 2HG PRO 36 3HG PRO 36 2.414 -3.665 -15.294 269 1HD PRO 36 2HD PRO 36 2.555 -3.211 -12.671 270 2HD PRO 36 3HD PRO 36 3.884 -2.658 -13.721 271 H ASN 37 H ASN 37 0.007 -1.367 -12.990 272 HA ASN 37 HA ASN 37 -1.870 0.764 -13.827 273 1HB ASN 37 2HB ASN 37 -2.364 -1.743 -12.191 274 2HB ASN 37 3HB ASN 37 -3.574 -0.633 -12.803 275 1HD2 ASN 37 1HD2 ASN 37 -1.910 -3.522 -13.524 276 2HD2 ASN 37 2HD2 ASN 37 -2.271 -3.563 -15.250 277 H LYS 38 H LYS 38 0.188 0.098 -11.096 278 HA LYS 38 HA LYS 38 0.514 1.181 -9.162 279 1HB LYS 38 2HB LYS 38 -1.229 3.413 -10.264 280 2HB LYS 38 3HB LYS 38 -0.137 3.443 -8.873 281 1HG LYS 38 2HG LYS 38 1.379 4.227 -10.313 282 2HG LYS 38 3HG LYS 38 1.608 2.542 -10.725 283 1HD LYS 38 2HD LYS 38 -0.089 2.880 -12.569 284 2HD LYS 38 3HD LYS 38 -0.184 4.596 -12.127 285 1HE LYS 38 2HE LYS 38 2.086 5.007 -12.766 286 2HE LYS 38 3HE LYS 38 2.484 3.280 -12.792 287 1HZ LYS 38 1HZ LYS 38 0.671 4.601 -14.678 288 2HZ LYS 38 2HZ LYS 38 2.210 4.085 -14.992 289 3HZ LYS 38 3HZ LYS 38 1.028 2.984 -14.631 290 H LYS 39 H LYS 39 -0.972 -0.815 -8.843 291 HA LYS 39 HA LYS 39 -3.160 0.064 -6.976 292 1HB LYS 39 2HB LYS 39 -3.071 -2.358 -8.791 293 2HB LYS 39 3HB LYS 39 -4.089 -2.260 -7.347 294 1HG LYS 39 2HG LYS 39 -5.308 -0.386 -8.183 295 2HG LYS 39 3HG LYS 39 -4.152 -0.108 -9.483 296 1HD LYS 39 2HD LYS 39 -6.277 -1.240 -10.256 297 2HD LYS 39 3HD LYS 39 -4.778 -2.062 -10.678 298 1HE LYS 39 2HE LYS 39 -6.509 -3.655 -9.974 299 2HE LYS 39 3HE LYS 39 -5.085 -3.753 -8.943 300 1HZ LYS 39 1HZ LYS 39 -7.547 -2.282 -8.196 301 2HZ LYS 39 2HZ LYS 39 -7.187 -3.803 -7.704 302 3HZ LYS 39 3HZ LYS 39 -6.285 -2.631 -7.191 303 H VAL 40 H VAL 40 -2.420 -0.135 -4.946 304 HA VAL 40 HA VAL 40 -0.465 -2.226 -4.218 305 HB VAL 40 HB VAL 40 -1.539 0.345 -3.094 306 1HG1 VAL 40 1HG1 VAL 40 -0.399 -0.173 -0.948 307 2HG1 VAL 40 2HG1 VAL 40 -1.865 -1.106 -1.289 308 3HG1 VAL 40 3HG1 VAL 40 -0.268 -1.872 -1.494 309 1HG2 VAL 40 1HG2 VAL 40 1.318 -0.666 -3.213 310 2HG2 VAL 40 2HG2 VAL 40 0.559 0.252 -4.530 311 3HG2 VAL 40 3HG2 VAL 40 0.741 0.989 -2.936 312 H CYS 41 H CYS 41 -1.377 -4.021 -3.526 313 HA CYS 41 HA CYS 41 -4.224 -4.054 -2.583 314 1HB CYS 41 2HB CYS 41 -3.046 -6.437 -3.998 315 2HB CYS 41 3HB CYS 41 -4.735 -5.891 -3.852 316 HG CYS 41 HG CYS 41 -2.283 -4.610 -5.652 317 H ILE 42 H ILE 42 -4.226 -4.750 -0.453 318 HA ILE 42 HA ILE 42 -1.802 -6.251 0.507 319 HB ILE 42 HB ILE 42 -3.375 -4.161 2.041 320 1HG1 ILE 42 2HG1 ILE 42 -0.763 -3.916 0.493 321 2HG1 ILE 42 3HG1 ILE 42 -2.259 -3.011 0.228 322 1HG2 ILE 42 1HG2 ILE 42 -0.692 -5.473 2.602 323 2HG2 ILE 42 2HG2 ILE 42 -1.559 -4.349 3.669 324 3HG2 ILE 42 3HG2 ILE 42 -2.212 -5.951 3.386 325 1HD1 ILE 42 1HD1 ILE 42 -1.993 -1.940 2.465 326 2HD1 ILE 42 2HD1 ILE 42 -0.405 -2.741 2.612 327 3HD1 ILE 42 3HD1 ILE 42 -0.693 -1.569 1.321 328 H GLU 43 H GLU 43 -2.185 -7.991 1.824 329 HA GLU 43 HA GLU 43 -4.988 -8.596 2.614 330 1HB GLU 43 2HB GLU 43 -4.536 -9.489 0.309 331 2HB GLU 43 3HB GLU 43 -3.249 -10.494 0.973 332 1HG GLU 43 2HG GLU 43 -4.845 -11.801 2.238 333 2HG GLU 43 3HG GLU 43 -6.143 -10.634 1.928 334 H SER 44 H SER 44 -4.473 -8.323 4.774 335 HA SER 44 HA SER 44 -2.772 -10.279 6.065 336 1HB SER 44 2HB SER 44 -1.908 -7.363 5.874 337 2HB SER 44 3HB SER 44 -1.263 -8.479 7.089 338 HG SER 44 HG SER 44 -1.203 -9.489 4.533 339 H GLU 45 H GLU 45 -2.811 -10.129 8.335 340 HA GLU 45 HA GLU 45 -5.254 -9.335 9.558 341 1HB GLU 45 2HB GLU 45 -2.642 -10.338 10.742 342 2HB GLU 45 3HB GLU 45 -4.210 -10.275 11.556 343 1HG GLU 45 2HG GLU 45 -5.164 -11.826 9.866 344 2HG GLU 45 3HG GLU 45 -3.588 -11.944 9.064 345 H HIS 46 H HIS 46 -4.669 -6.983 8.636 346 HA HIS 46 HA HIS 46 -4.000 -5.326 11.004 347 1HB HIS 46 2HB HIS 46 -3.114 -4.749 8.140 348 2HB HIS 46 3HB HIS 46 -2.782 -3.759 9.566 349 HD1 HIS 46 1HD HIS 46 -1.730 -6.232 11.430 350 HD2 HIS 46 2HD HIS 46 -0.704 -5.493 7.428 351 HE1 HIS 46 1HE HIS 46 0.583 -7.246 11.066 352 H SER 47 H SER 47 -5.291 -3.163 10.774 353 HA SER 47 HA SER 47 -7.749 -3.747 9.215 354 1HB SER 47 2HB SER 47 -7.866 -2.857 11.590 355 2HB SER 47 3HB SER 47 -7.346 -1.296 10.916 356 HG SER 47 HG SER 47 -9.373 -1.098 10.312 357 H MET 48 H MET 48 -8.644 -1.917 8.033 358 HA MET 48 HA MET 48 -7.006 -1.000 5.839 359 1HB MET 48 2HB MET 48 -9.619 0.092 6.984 360 2HB MET 48 3HB MET 48 -8.946 0.497 5.396 361 1HG MET 48 2HG MET 48 -9.135 -1.833 4.683 362 2HG MET 48 3HG MET 48 -9.766 -2.310 6.265 363 1HE MET 48 1HE MET 48 -13.328 -0.716 6.291 364 2HE MET 48 2HE MET 48 -12.113 -1.622 7.221 365 3HE MET 48 3HE MET 48 -11.881 0.115 6.891 366 H ASP 49 H ASP 49 -8.254 0.422 8.835 367 HA ASP 49 HA ASP 49 -7.256 2.985 8.777 368 1HB ASP 49 2HB ASP 49 -7.365 1.304 11.318 369 2HB ASP 49 3HB ASP 49 -7.686 3.026 11.122 370 H THR 50 H THR 50 -5.818 0.138 10.196 371 HA THR 50 HA THR 50 -3.427 1.127 11.221 372 HB THR 50 HB THR 50 -3.659 -1.590 9.868 373 HG1 THR 50 1HG THR 50 -4.842 -0.824 12.315 374 1HG2 THR 50 1HG2 THR 50 -2.380 -2.352 11.826 375 2HG2 THR 50 2HG2 THR 50 -1.521 -1.048 10.987 376 3HG2 THR 50 3HG2 THR 50 -2.390 -0.708 12.499 377 H LEU 51 H LEU 51 -4.040 -0.356 8.008 378 HA LEU 51 HA LEU 51 -1.370 0.028 7.046 379 1HB LEU 51 2HB LEU 51 -3.974 -0.319 5.518 380 2HB LEU 51 3HB LEU 51 -2.345 -0.448 4.818 381 HG LEU 51 HG LEU 51 -3.341 -2.186 7.138 382 1HD1 LEU 51 1HD1 LEU 51 -3.395 -2.796 4.167 383 2HD1 LEU 51 2HD1 LEU 51 -3.685 -3.964 5.476 384 3HD1 LEU 51 3HD1 LEU 51 -4.794 -2.600 5.244 385 1HD2 LEU 51 1HD2 LEU 51 -0.991 -2.470 5.239 386 2HD2 LEU 51 2HD2 LEU 51 -0.895 -2.138 6.989 387 3HD2 LEU 51 3HD2 LEU 51 -1.509 -3.687 6.408 388 H LEU 52 H LEU 52 -4.389 1.833 6.343 389 HA LEU 52 HA LEU 52 -3.394 3.875 4.739 390 1HB LEU 52 2HB LEU 52 -5.607 3.644 6.757 391 2HB LEU 52 3HB LEU 52 -5.178 5.265 6.245 392 HG LEU 52 HG LEU 52 -5.924 3.060 4.299 393 1HD1 LEU 52 1HD1 LEU 52 -7.794 3.526 5.816 394 2HD1 LEU 52 2HD1 LEU 52 -7.641 5.268 5.499 395 3HD1 LEU 52 3HD1 LEU 52 -8.129 4.161 4.198 396 1HD2 LEU 52 1HD2 LEU 52 -6.341 5.088 2.808 397 2HD2 LEU 52 2HD2 LEU 52 -5.628 6.104 4.063 398 3HD2 LEU 52 3HD2 LEU 52 -4.641 4.889 3.227 399 H ALA 53 H ALA 53 -3.738 4.046 8.316 400 HA ALA 53 HA ALA 53 -2.491 6.537 8.582 401 1HB ALA 53 1HB ALA 53 -3.884 5.478 10.340 402 2HB ALA 53 2HB ALA 53 -2.630 4.246 10.600 403 3HB ALA 53 3HB ALA 53 -2.299 5.948 10.987 404 H THR 54 H THR 54 -1.037 3.272 8.750 405 HA THR 54 HA THR 54 1.600 4.152 9.364 406 HB THR 54 HB THR 54 0.619 1.735 7.775 407 HG1 THR 54 1HG THR 54 -0.134 1.697 9.819 408 1HG2 THR 54 1HG2 THR 54 2.832 0.791 8.447 409 2HG2 THR 54 2HG2 THR 54 2.939 2.058 7.231 410 3HG2 THR 54 3HG2 THR 54 3.356 2.410 8.930 411 H LEU 55 H LEU 55 0.107 3.454 6.142 412 HA LEU 55 HA LEU 55 2.574 3.963 4.809 413 1HB LEU 55 2HB LEU 55 1.512 3.364 2.874 414 2HB LEU 55 3HB LEU 55 1.041 2.281 4.160 415 HG LEU 55 HG LEU 55 -1.107 3.790 4.287 416 1HD1 LEU 55 1HD1 LEU 55 -1.652 4.670 2.027 417 2HD1 LEU 55 2HD1 LEU 55 -0.226 5.467 2.719 418 3HD1 LEU 55 3HD1 LEU 55 0.011 4.200 1.528 419 1HD2 LEU 55 1HD2 LEU 55 -0.542 1.880 1.967 420 2HD2 LEU 55 2HD2 LEU 55 -1.015 1.381 3.605 421 3HD2 LEU 55 3HD2 LEU 55 -2.151 2.300 2.592 422 H LYS 56 H LYS 56 -0.275 5.845 5.326 423 HA LYS 56 HA LYS 56 -0.402 7.967 3.823 424 1HB LYS 56 2HB LYS 56 -1.333 7.548 6.294 425 2HB LYS 56 3HB LYS 56 -0.032 8.625 6.766 426 1HG LYS 56 2HG LYS 56 -1.007 10.289 5.071 427 2HG LYS 56 3HG LYS 56 -2.340 9.122 4.857 428 1HD LYS 56 2HD LYS 56 -2.818 9.227 7.293 429 2HD LYS 56 3HD LYS 56 -1.535 10.441 7.486 430 1HE LYS 56 2HE LYS 56 -2.751 11.975 5.941 431 2HE LYS 56 3HE LYS 56 -4.013 10.755 5.706 432 1HZ LYS 56 1HZ LYS 56 -3.380 12.077 8.263 433 2HZ LYS 56 2HZ LYS 56 -4.668 12.401 7.296 434 3HZ LYS 56 3HZ LYS 56 -4.552 10.940 8.036 435 H LYS 57 H LYS 57 2.181 7.549 6.083 436 HA LYS 57 HA LYS 57 3.562 9.935 6.260 437 1HB LYS 57 2HB LYS 57 4.498 7.063 6.228 438 2HB LYS 57 3HB LYS 57 5.527 8.429 6.735 439 1HG LYS 57 2HG LYS 57 3.868 8.985 8.492 440 2HG LYS 57 3HG LYS 57 2.836 7.659 7.939 441 1HD LYS 57 2HD LYS 57 4.699 6.044 8.369 442 2HD LYS 57 3HD LYS 57 5.560 7.348 9.219 443 1HE LYS 57 2HE LYS 57 3.671 7.585 10.802 444 2HE LYS 57 3HE LYS 57 2.694 6.441 9.867 445 1HZ LYS 57 1HZ LYS 57 4.237 4.715 10.417 446 2HZ LYS 57 2HZ LYS 57 5.161 5.752 11.308 447 3HZ LYS 57 3HZ LYS 57 3.624 5.402 11.777 448 H THR 58 H THR 58 3.555 7.662 3.459 449 HA THR 58 HA THR 58 5.902 8.636 2.178 450 HB THR 58 HB THR 58 4.735 7.782 0.087 451 HG1 THR 58 1HG THR 58 2.567 8.162 0.798 452 1HG2 THR 58 1HG2 THR 58 6.139 6.324 1.458 453 2HG2 THR 58 2HG2 THR 58 4.765 6.005 2.537 454 3HG2 THR 58 3HG2 THR 58 4.723 5.431 0.855 455 H GLY 59 H GLY 59 2.663 10.020 2.445 456 1HA GLY 59 2HA GLY 59 1.730 11.909 1.611 457 2HA GLY 59 3HA GLY 59 3.387 12.554 1.534 458 H LYS 60 H LYS 60 1.413 10.108 -0.231 459 HA LYS 60 HA LYS 60 1.799 11.443 -2.816 460 1HB LYS 60 2HB LYS 60 2.233 8.456 -2.313 461 2HB LYS 60 3HB LYS 60 2.364 9.272 -3.874 462 1HG LYS 60 2HG LYS 60 4.183 9.768 -1.474 463 2HG LYS 60 3HG LYS 60 4.538 8.669 -2.774 464 1HD LYS 60 2HD LYS 60 4.741 10.357 -4.406 465 2HD LYS 60 3HD LYS 60 3.932 11.575 -3.427 466 1HE LYS 60 2HE LYS 60 6.673 10.386 -2.778 467 2HE LYS 60 3HE LYS 60 6.362 11.931 -3.582 468 1HZ LYS 60 1HZ LYS 60 6.647 12.482 -1.356 469 2HZ LYS 60 2HZ LYS 60 4.996 12.462 -1.519 470 3HZ LYS 60 3HZ LYS 60 5.748 11.231 -0.789 471 H THR 61 H THR 61 0.159 10.305 -4.407 472 HA THR 61 HA THR 61 -2.370 10.422 -3.238 473 HB THR 61 HB THR 61 -1.778 9.242 -5.960 474 HG1 THR 61 1HG THR 61 -1.377 11.974 -5.363 475 1HG2 THR 61 1HG2 THR 61 -4.131 9.830 -5.368 476 2HG2 THR 61 2HG2 THR 61 -3.620 11.497 -5.026 477 3HG2 THR 61 3HG2 THR 61 -3.508 10.851 -6.678 478 H VAL 62 H VAL 62 -0.988 8.206 -1.952 479 HA VAL 62 HA VAL 62 -1.965 5.712 -3.148 480 HB VAL 62 HB VAL 62 0.183 5.588 -2.246 481 1HG1 VAL 62 1HG1 VAL 62 0.775 5.934 0.111 482 2HG1 VAL 62 2HG1 VAL 62 0.318 7.430 -0.684 483 3HG1 VAL 62 3HG1 VAL 62 -0.821 6.641 0.424 484 1HG2 VAL 62 1HG2 VAL 62 -1.306 3.625 -1.891 485 2HG2 VAL 62 2HG2 VAL 62 0.004 3.737 -0.720 486 3HG2 VAL 62 3HG2 VAL 62 -1.653 4.198 -0.263 487 H SER 63 H SER 63 -4.098 5.913 -3.210 488 HA SER 63 HA SER 63 -5.660 6.792 -0.846 489 1HB SER 63 2HB SER 63 -6.498 6.263 -3.732 490 2HB SER 63 3HB SER 63 -7.398 7.172 -2.501 491 HG SER 63 HG SER 63 -4.859 7.861 -3.638 492 H TYR 64 H TYR 64 -7.403 5.426 -0.054 493 HA TYR 64 HA TYR 64 -7.069 2.509 -0.553 494 1HB TYR 64 2HB TYR 64 -6.885 3.079 1.746 495 2HB TYR 64 3HB TYR 64 -8.257 4.186 1.659 496 HD1 TYR 64 HD1 TYR 64 -10.366 3.476 2.362 497 HD2 TYR 64 HD2 TYR 64 -7.475 0.538 1.093 498 HE1 TYR 64 HE1 TYR 64 -12.081 1.718 2.536 499 HE2 TYR 64 HE2 TYR 64 -9.207 -1.212 1.235 500 HH TYR 64 HH TYR 64 -12.578 -0.503 2.166 501 H LEU 65 H LEU 65 -8.646 1.369 -1.665 502 HA LEU 65 HA LEU 65 -11.409 2.267 -1.660 503 1HB LEU 65 2HB LEU 65 -11.492 2.168 -4.204 504 2HB LEU 65 3HB LEU 65 -11.031 3.633 -3.376 505 HG LEU 65 HG LEU 65 -9.755 3.098 -5.396 506 1HD1 LEU 65 1HD1 LEU 65 -7.818 3.309 -3.199 507 2HD1 LEU 65 2HD1 LEU 65 -7.843 4.140 -4.753 508 3HD1 LEU 65 3HD1 LEU 65 -8.994 4.609 -3.495 509 1HD2 LEU 65 1HD2 LEU 65 -8.418 0.884 -3.854 510 2HD2 LEU 65 2HD2 LEU 65 -9.395 0.743 -5.337 511 3HD2 LEU 65 3HD2 LEU 65 -7.844 1.559 -5.376 512 H GLY 66 H GLY 66 -11.329 0.037 -0.503 513 1HA GLY 66 2HA GLY 66 -13.269 -1.330 -1.222 514 2HA GLY 66 3HA GLY 66 -12.337 -1.828 -2.640 515 H LEU 67 H LEU 67 -13.344 -3.752 -0.894 516 HA LEU 67 HA LEU 67 -10.931 -4.940 0.160 517 1HB LEU 67 2HB LEU 67 -11.723 -5.285 2.383 518 2HB LEU 67 3HB LEU 67 -11.803 -3.555 2.074 519 HG LEU 67 HG LEU 67 -14.158 -5.517 2.042 520 1HD1 LEU 67 1HD1 LEU 67 -14.780 -4.457 4.160 521 2HD1 LEU 67 2HD1 LEU 67 -13.162 -5.168 4.275 522 3HD1 LEU 67 3HD1 LEU 67 -13.348 -3.411 4.082 523 1HD2 LEU 67 1HD2 LEU 67 -14.770 -3.670 0.596 524 2HD2 LEU 67 2HD2 LEU 67 -15.545 -3.400 2.152 525 3HD2 LEU 67 3HD2 LEU 67 -14.084 -2.481 1.733 526 H GLU 68 H GLU 68 -11.219 -7.221 0.690 527 HA GLU 68 HA GLU 68 -13.633 -8.565 -0.294 528 1HB GLU 68 2HB GLU 68 -12.109 -8.168 -2.280 529 2HB GLU 68 3HB GLU 68 -10.821 -8.997 -1.409 530 1HG GLU 68 2HG GLU 68 -12.273 -11.061 -1.333 531 2HG GLU 68 3HG GLU 68 -13.417 -10.223 -2.394 Start of MODEL 5 1 1H MET 1 H1 MET 1 -12.832 -10.838 3.207 2 2H MET 1 H2 MET 1 -12.420 -11.668 1.869 3 3H MET 1 H3 MET 1 -13.367 -12.397 2.989 4 HA MET 1 HA MET 1 -11.601 -12.484 4.549 5 1HB MET 1 2HB MET 1 -10.514 -13.139 1.774 6 2HB MET 1 3HB MET 1 -9.846 -13.748 3.293 7 1HG MET 1 2HG MET 1 -11.984 -14.908 3.769 8 2HG MET 1 3HG MET 1 -12.640 -14.353 2.219 9 1HE MET 1 1HE MET 1 -10.581 -16.353 -0.390 10 2HE MET 1 2HE MET 1 -11.836 -15.120 -0.120 11 3HE MET 1 3HE MET 1 -10.124 -14.746 0.206 12 HA PRO 2 HA PRO 2 -9.834 -8.729 5.072 13 1HB PRO 2 2HB PRO 2 -7.306 -9.162 6.191 14 2HB PRO 2 3HB PRO 2 -8.882 -9.244 7.025 15 1HG PRO 2 2HG PRO 2 -7.297 -11.512 5.803 16 2HG PRO 2 3HG PRO 2 -8.095 -11.469 7.403 17 1HD PRO 2 2HD PRO 2 -9.303 -12.696 5.382 18 2HD PRO 2 3HD PRO 2 -10.269 -11.592 6.410 19 H LYS 3 H LYS 3 -9.783 -8.044 2.916 20 HA LYS 3 HA LYS 3 -7.082 -7.771 1.714 21 1HB LYS 3 2HB LYS 3 -8.332 -9.769 0.832 22 2HB LYS 3 3HB LYS 3 -9.578 -8.669 0.213 23 1HG LYS 3 2HG LYS 3 -7.942 -7.606 -1.286 24 2HG LYS 3 3HG LYS 3 -6.628 -8.521 -0.506 25 1HD LYS 3 2HD LYS 3 -7.655 -10.639 -1.208 26 2HD LYS 3 3HD LYS 3 -8.915 -9.757 -2.093 27 1HE LYS 3 2HE LYS 3 -7.333 -8.897 -3.686 28 2HE LYS 3 3HE LYS 3 -5.957 -9.224 -2.617 29 1HZ LYS 3 1HZ LYS 3 -7.543 -11.333 -3.893 30 2HZ LYS 3 2HZ LYS 3 -6.031 -10.832 -4.348 31 3HZ LYS 3 3HZ LYS 3 -6.261 -11.523 -2.875 32 H HIS 4 H HIS 4 -6.729 -5.884 0.607 33 HA HIS 4 HA HIS 4 -8.871 -3.907 0.394 34 1HB HIS 4 2HB HIS 4 -7.060 -2.496 1.877 35 2HB HIS 4 3HB HIS 4 -8.576 -3.181 2.463 36 HD1 HIS 4 1HD HIS 4 -8.220 -5.780 3.607 37 HD2 HIS 4 2HD HIS 4 -4.998 -3.096 3.367 38 HE1 HIS 4 1HE HIS 4 -6.447 -6.626 5.231 39 H GLU 5 H GLU 5 -8.512 -2.702 -1.325 40 HA GLU 5 HA GLU 5 -5.820 -2.756 -2.600 41 1HB GLU 5 2HB GLU 5 -8.623 -2.507 -3.757 42 2HB GLU 5 3HB GLU 5 -7.149 -2.224 -4.669 43 1HG GLU 5 2HG GLU 5 -6.449 -4.589 -3.830 44 2HG GLU 5 3HG GLU 5 -8.122 -4.787 -3.313 45 H PHE 6 H PHE 6 -4.980 -0.893 -3.477 46 HA PHE 6 HA PHE 6 -6.239 1.697 -2.734 47 1HB PHE 6 2HB PHE 6 -3.338 0.810 -2.304 48 2HB PHE 6 3HB PHE 6 -3.934 2.427 -2.006 49 HD1 PHE 6 1HD PHE 6 -4.759 3.002 0.168 50 HD2 PHE 6 2HD PHE 6 -4.229 -1.149 -0.894 51 HE1 PHE 6 1HE PHE 6 -5.056 2.341 2.542 52 HE2 PHE 6 2HE PHE 6 -4.690 -1.805 1.427 53 HZ PHE 6 HZ PHE 6 -5.045 -0.062 3.181 54 H SER 7 H SER 7 -5.841 3.307 -4.224 55 HA SER 7 HA SER 7 -4.333 2.601 -6.710 56 1HB SER 7 2HB SER 7 -6.604 3.632 -6.988 57 2HB SER 7 3HB SER 7 -5.989 5.086 -6.148 58 HG SER 7 HG SER 7 -5.811 5.221 -8.444 59 H VAL 8 H VAL 8 -2.324 3.600 -7.053 60 HA VAL 8 HA VAL 8 -1.279 5.355 -4.892 61 HB VAL 8 HB VAL 8 -0.007 2.844 -6.095 62 1HG1 VAL 8 1HG1 VAL 8 1.514 4.713 -5.242 63 2HG1 VAL 8 2HG1 VAL 8 0.719 4.569 -3.667 64 3HG1 VAL 8 3HG1 VAL 8 1.658 3.204 -4.319 65 1HG2 VAL 8 1HG2 VAL 8 -0.304 1.981 -3.712 66 2HG2 VAL 8 2HG2 VAL 8 -1.465 3.277 -3.453 67 3HG2 VAL 8 3HG2 VAL 8 -1.781 2.037 -4.685 68 H ASP 9 H ASP 9 -0.395 7.141 -5.847 69 HA ASP 9 HA ASP 9 0.435 7.245 -8.616 70 1HB ASP 9 2HB ASP 9 -0.133 9.306 -7.625 71 2HB ASP 9 3HB ASP 9 0.936 9.038 -6.228 72 H MET 10 H MET 10 1.568 5.240 -8.683 73 HA MET 10 HA MET 10 4.375 5.351 -7.734 74 1HB MET 10 2HB MET 10 2.887 3.131 -9.181 75 2HB MET 10 3HB MET 10 4.589 3.097 -8.672 76 1HG MET 10 2HG MET 10 3.790 3.635 -6.312 77 2HG MET 10 3HG MET 10 2.149 3.330 -6.895 78 1HE MET 10 1HE MET 10 2.056 -0.438 -7.466 79 2HE MET 10 2HE MET 10 1.108 1.038 -7.204 80 3HE MET 10 3HE MET 10 2.169 0.909 -8.622 81 H THR 11 H THR 11 4.843 7.244 -8.860 82 HA THR 11 HA THR 11 4.440 7.534 -11.633 83 HB THR 11 HB THR 11 6.486 9.247 -10.328 84 HG1 THR 11 1HG THR 11 3.905 9.233 -9.184 85 1HG2 THR 11 1HG2 THR 11 5.186 9.904 -12.339 86 2HG2 THR 11 2HG2 THR 11 3.683 9.819 -11.394 87 3HG2 THR 11 3HG2 THR 11 4.919 11.026 -10.988 88 H CYS 12 H CYS 12 7.146 6.242 -9.696 89 HA CYS 12 HA CYS 12 8.597 5.524 -12.139 90 1HB CYS 12 2HB CYS 12 9.469 7.774 -11.779 91 2HB CYS 12 3HB CYS 12 9.771 7.446 -10.057 92 HG CYS 12 HG CYS 12 11.619 5.804 -10.286 93 H GLY 13 H GLY 13 10.193 3.891 -11.611 94 1HA GLY 13 2HA GLY 13 9.314 1.788 -10.241 95 2HA GLY 13 3HA GLY 13 11.046 2.091 -10.431 96 H GLY 14 H GLY 14 11.650 4.063 -8.702 97 1HA GLY 14 2HA GLY 14 11.875 2.816 -6.240 98 2HA GLY 14 3HA GLY 14 12.097 4.555 -6.508 99 H CYS 15 H CYS 15 9.041 4.497 -7.381 100 HA CYS 15 HA CYS 15 7.844 5.281 -4.922 101 1HB CYS 15 2HB CYS 15 6.571 4.304 -7.464 102 2HB CYS 15 3HB CYS 15 5.719 4.910 -6.022 103 HG CYS 15 HG CYS 15 8.121 6.496 -7.584 104 H ALA 16 H ALA 16 8.114 2.157 -6.675 105 HA ALA 16 HA ALA 16 6.424 0.638 -4.928 106 1HB ALA 16 1HB ALA 16 8.730 -0.281 -6.712 107 2HB ALA 16 2HB ALA 16 7.495 -1.320 -5.990 108 3HB ALA 16 3HB ALA 16 7.031 -0.119 -7.214 109 H GLU 17 H GLU 17 9.951 1.342 -4.949 110 HA GLU 17 HA GLU 17 10.562 -0.210 -2.622 111 1HB GLU 17 2HB GLU 17 11.869 2.299 -3.776 112 2HB GLU 17 3HB GLU 17 12.304 1.603 -2.235 113 1HG GLU 17 2HG GLU 17 12.629 -0.640 -3.500 114 2HG GLU 17 3HG GLU 17 12.625 0.361 -4.964 115 H ALA 18 H ALA 18 9.377 3.175 -2.994 116 HA ALA 18 HA ALA 18 9.555 3.853 -0.252 117 1HB ALA 18 1HB ALA 18 9.041 5.478 -2.080 118 2HB ALA 18 2HB ALA 18 7.391 4.819 -2.169 119 3HB ALA 18 3HB ALA 18 7.946 5.600 -0.686 120 H VAL 19 H VAL 19 6.789 2.481 -2.070 121 HA VAL 19 HA VAL 19 5.051 2.116 0.122 122 HB VAL 19 HB VAL 19 5.303 0.477 -2.427 123 1HG1 VAL 19 1HG1 VAL 19 3.043 -0.312 -1.927 124 2HG1 VAL 19 2HG1 VAL 19 4.100 -0.805 -0.624 125 3HG1 VAL 19 3HG1 VAL 19 3.028 0.590 -0.392 126 1HG2 VAL 19 1HG2 VAL 19 3.378 1.810 -3.167 127 2HG2 VAL 19 2HG2 VAL 19 3.369 2.709 -1.635 128 3HG2 VAL 19 3HG2 VAL 19 4.716 2.894 -2.770 129 H SER 20 H SER 20 7.312 -0.288 -1.369 130 HA SER 20 HA SER 20 6.714 -2.379 0.405 131 1HB SER 20 2HB SER 20 7.995 -2.607 -1.715 132 2HB SER 20 3HB SER 20 9.389 -1.808 -0.958 133 HG SER 20 HG SER 20 9.451 -4.143 -0.876 134 H ARG 21 H ARG 21 9.333 0.073 0.682 135 HA ARG 21 HA ARG 21 10.419 -0.786 3.112 136 1HB ARG 21 2HB ARG 21 10.226 1.960 1.827 137 2HB ARG 21 3HB ARG 21 11.169 1.632 3.291 138 1HG ARG 21 2HG ARG 21 12.550 0.009 2.159 139 2HG ARG 21 3HG ARG 21 11.568 0.045 0.707 140 1HD ARG 21 2HD ARG 21 12.154 2.362 0.257 141 2HD ARG 21 3HD ARG 21 13.131 2.465 1.713 142 HE ARG 21 HE ARG 21 13.818 1.161 -0.873 143 1HH1 ARG 21 2HH2 ARG 21 14.683 1.269 2.542 144 2HH1 ARG 21 1HH2 ARG 21 16.339 0.804 2.261 145 1HH2 ARG 21 2HH1 ARG 21 15.787 0.568 -1.263 146 2HH2 ARG 21 1HH1 ARG 21 17.033 0.349 -0.035 147 H VAL 22 H VAL 22 7.804 1.838 2.730 148 HA VAL 22 HA VAL 22 7.552 2.064 5.488 149 HB VAL 22 HB VAL 22 6.918 3.706 3.732 150 1HG1 VAL 22 1HG1 VAL 22 5.580 2.244 2.283 151 2HG1 VAL 22 2HG1 VAL 22 4.374 2.062 3.579 152 3HG1 VAL 22 3HG1 VAL 22 4.640 3.631 2.819 153 1HG2 VAL 22 1HG2 VAL 22 4.991 4.569 4.961 154 2HG2 VAL 22 2HG2 VAL 22 4.808 2.986 5.749 155 3HG2 VAL 22 3HG2 VAL 22 6.274 3.965 6.056 156 H LEU 23 H LEU 23 5.585 -0.005 3.197 157 HA LEU 23 HA LEU 23 3.854 -0.988 5.166 158 1HB LEU 23 2HB LEU 23 4.808 -1.997 2.465 159 2HB LEU 23 3HB LEU 23 3.873 -3.035 3.519 160 HG LEU 23 HG LEU 23 2.501 -1.931 1.819 161 1HD1 LEU 23 1HD1 LEU 23 1.815 -1.385 4.739 162 2HD1 LEU 23 2HD1 LEU 23 0.666 -1.397 3.394 163 3HD1 LEU 23 3HD1 LEU 23 1.512 -2.893 3.835 164 1HD2 LEU 23 1HD2 LEU 23 2.831 0.493 3.586 165 2HD2 LEU 23 2HD2 LEU 23 3.567 0.320 1.973 166 3HD2 LEU 23 3HD2 LEU 23 1.803 0.357 2.139 167 H ASN 24 H ASN 24 7.041 -2.437 4.085 168 HA ASN 24 HA ASN 24 6.854 -4.608 5.903 169 1HB ASN 24 2HB ASN 24 9.205 -3.171 4.616 170 2HB ASN 24 3HB ASN 24 9.350 -4.536 5.712 171 1HD2 ASN 24 1HD2 ASN 24 8.693 -3.653 2.455 172 2HD2 ASN 24 2HD2 ASN 24 8.385 -5.268 1.850 173 H LYS 25 H LYS 25 8.226 -1.305 6.229 174 HA LYS 25 HA LYS 25 9.275 -1.512 8.826 175 1HB LYS 25 2HB LYS 25 8.124 0.761 7.179 176 2HB LYS 25 3HB LYS 25 8.499 1.035 8.871 177 1HG LYS 25 2HG LYS 25 10.512 -0.006 6.822 178 2HG LYS 25 3HG LYS 25 10.335 1.672 7.337 179 1HD LYS 25 2HD LYS 25 11.804 1.265 8.983 180 2HD LYS 25 3HD LYS 25 10.534 0.333 9.776 181 1HE LYS 25 2HE LYS 25 11.407 -1.697 8.348 182 2HE LYS 25 3HE LYS 25 12.787 -0.668 7.968 183 1HZ LYS 25 1HZ LYS 25 11.929 -1.492 10.668 184 2HZ LYS 25 2HZ LYS 25 13.209 -2.096 9.837 185 3HZ LYS 25 3HZ LYS 25 13.227 -0.532 10.344 186 H LEU 26 H LEU 26 5.901 -0.956 7.870 187 HA LEU 26 HA LEU 26 4.820 -0.464 10.372 188 1HB LEU 26 2HB LEU 26 3.702 -0.682 8.061 189 2HB LEU 26 3HB LEU 26 3.564 -2.398 8.365 190 HG LEU 26 HG LEU 26 1.586 -0.876 8.764 191 1HD1 LEU 26 1HD1 LEU 26 0.657 -2.203 10.504 192 2HD1 LEU 26 2HD1 LEU 26 1.559 -3.210 9.351 193 3HD1 LEU 26 3HD1 LEU 26 2.245 -2.850 10.954 194 1HD2 LEU 26 1HD2 LEU 26 2.808 -0.519 11.544 195 2HD2 LEU 26 2HD2 LEU 26 2.863 0.754 10.315 196 3HD2 LEU 26 3HD2 LEU 26 1.304 0.173 10.923 197 H GLY 27 H GLY 27 5.827 -3.606 9.006 198 1HA GLY 27 2HA GLY 27 6.485 -4.813 11.386 199 2HA GLY 27 3HA GLY 27 4.743 -5.126 11.237 200 H GLY 28 H GLY 28 3.978 -6.421 9.495 201 1HA GLY 28 2HA GLY 28 5.808 -7.827 7.693 202 2HA GLY 28 3HA GLY 28 5.215 -8.809 9.051 203 H VAL 29 H VAL 29 3.701 -6.218 7.205 204 HA VAL 29 HA VAL 29 1.174 -7.625 6.917 205 HB VAL 29 HB VAL 29 0.874 -5.369 7.215 206 1HG1 VAL 29 1HG1 VAL 29 3.205 -4.791 5.361 207 2HG1 VAL 29 2HG1 VAL 29 2.075 -3.557 5.959 208 3HG1 VAL 29 3HG1 VAL 29 3.058 -4.446 7.097 209 1HG2 VAL 29 1HG2 VAL 29 -0.038 -4.401 5.175 210 2HG2 VAL 29 2HG2 VAL 29 0.861 -5.535 4.172 211 3HG2 VAL 29 3HG2 VAL 29 -0.427 -6.118 5.253 212 H LYS 30 H LYS 30 0.309 -8.553 5.044 213 HA LYS 30 HA LYS 30 2.220 -9.095 2.825 214 1HB LYS 30 2HB LYS 30 1.225 -11.036 3.500 215 2HB LYS 30 3HB LYS 30 -0.366 -10.303 3.654 216 1HG LYS 30 2HG LYS 30 -0.276 -11.779 1.685 217 2HG LYS 30 3HG LYS 30 -0.624 -10.147 1.232 218 1HD LYS 30 2HD LYS 30 0.946 -11.064 -0.368 219 2HD LYS 30 3HD LYS 30 1.717 -9.750 0.482 220 1HE LYS 30 2HE LYS 30 3.245 -11.646 0.194 221 2HE LYS 30 3HE LYS 30 2.978 -11.306 1.906 222 1HZ LYS 30 1HZ LYS 30 1.424 -13.123 1.975 223 2HZ LYS 30 2HZ LYS 30 1.621 -13.428 0.369 224 3HZ LYS 30 3HZ LYS 30 2.874 -13.657 1.413 225 H TYR 31 H TYR 31 2.400 -7.371 1.738 226 HA TYR 31 HA TYR 31 0.092 -6.044 0.385 227 1HB TYR 31 2HB TYR 31 1.736 -4.255 -0.133 228 2HB TYR 31 3HB TYR 31 1.421 -4.438 1.590 229 HD1 TYR 31 HD1 TYR 31 3.129 -5.276 3.113 230 HD2 TYR 31 HD2 TYR 31 3.894 -5.069 -1.100 231 HE1 TYR 31 HE1 TYR 31 5.414 -6.125 3.502 232 HE2 TYR 31 HE2 TYR 31 6.190 -5.952 -0.726 233 HH TYR 31 HH TYR 31 7.349 -6.883 2.525 234 H ASP 32 H ASP 32 0.209 -5.904 -1.918 235 HA ASP 32 HA ASP 32 2.625 -6.927 -3.246 236 1HB ASP 32 2HB ASP 32 0.883 -8.701 -3.457 237 2HB ASP 32 3HB ASP 32 -0.227 -7.512 -4.159 238 H ILE 33 H ILE 33 2.776 -5.921 -5.403 239 HA ILE 33 HA ILE 33 1.844 -3.060 -5.257 240 HB ILE 33 HB ILE 33 4.661 -3.947 -5.942 241 1HG1 ILE 33 2HG1 ILE 33 4.913 -2.468 -3.677 242 2HG1 ILE 33 3HG1 ILE 33 3.407 -3.283 -3.289 243 1HG2 ILE 33 1HG2 ILE 33 3.934 -1.835 -6.987 244 2HG2 ILE 33 2HG2 ILE 33 3.416 -1.234 -5.390 245 3HG2 ILE 33 3HG2 ILE 33 5.132 -1.534 -5.730 246 1HD1 ILE 33 1HD1 ILE 33 4.508 -5.481 -3.546 247 2HD1 ILE 33 2HD1 ILE 33 5.960 -4.707 -4.220 248 3HD1 ILE 33 3HD1 ILE 33 5.536 -4.448 -2.531 249 H ASP 34 H ASP 34 0.473 -2.960 -6.967 250 HA ASP 34 HA ASP 34 1.153 -4.310 -9.507 251 1HB ASP 34 2HB ASP 34 -1.172 -4.365 -8.657 252 2HB ASP 34 3HB ASP 34 -1.240 -2.603 -8.869 253 H LEU 35 H LEU 35 3.058 -3.206 -9.810 254 HA LEU 35 HA LEU 35 3.249 -0.373 -10.069 255 1HB LEU 35 2HB LEU 35 5.116 -1.865 -9.484 256 2HB LEU 35 3HB LEU 35 5.088 -2.544 -11.114 257 HG LEU 35 HG LEU 35 5.731 -0.355 -12.062 258 1HD1 LEU 35 1HD1 LEU 35 5.699 0.598 -9.159 259 2HD1 LEU 35 2HD1 LEU 35 6.486 1.471 -10.487 260 3HD1 LEU 35 3HD1 LEU 35 4.737 1.246 -10.507 261 1HD2 LEU 35 1HD2 LEU 35 7.507 -1.184 -9.727 262 2HD2 LEU 35 2HD2 LEU 35 7.472 -1.958 -11.326 263 3HD2 LEU 35 3HD2 LEU 35 8.014 -0.278 -11.167 264 HA PRO 36 HA PRO 36 2.602 -1.012 -14.773 265 1HB PRO 36 2HB PRO 36 0.539 -2.833 -15.361 266 2HB PRO 36 3HB PRO 36 2.274 -2.993 -15.736 267 1HG PRO 36 2HG PRO 36 0.719 -4.216 -13.512 268 2HG PRO 36 3HG PRO 36 2.136 -4.869 -14.362 269 1HD PRO 36 2HD PRO 36 2.235 -3.816 -11.876 270 2HD PRO 36 3HD PRO 36 3.624 -3.701 -12.980 271 H ASN 37 H ASN 37 -0.188 -1.938 -12.598 272 HA ASN 37 HA ASN 37 -1.834 0.080 -13.953 273 1HB ASN 37 2HB ASN 37 -2.567 -1.886 -11.774 274 2HB ASN 37 3HB ASN 37 -3.680 -0.880 -12.654 275 1HD2 ASN 37 1HD2 ASN 37 -2.488 -3.982 -12.586 276 2HD2 ASN 37 2HD2 ASN 37 -2.772 -4.414 -14.276 277 H LYS 38 H LYS 38 0.072 0.190 -11.019 278 HA LYS 38 HA LYS 38 0.443 1.994 -9.710 279 1HB LYS 38 2HB LYS 38 -1.539 3.440 -11.518 280 2HB LYS 38 3HB LYS 38 -0.918 4.153 -10.063 281 1HG LYS 38 2HG LYS 38 0.322 4.832 -12.077 282 2HG LYS 38 3HG LYS 38 1.356 4.096 -10.840 283 1HD LYS 38 2HD LYS 38 1.407 2.000 -12.004 284 2HD LYS 38 3HD LYS 38 0.174 2.545 -13.171 285 1HE LYS 38 2HE LYS 38 1.774 4.077 -14.176 286 2HE LYS 38 3HE LYS 38 2.973 3.727 -12.909 287 1HZ LYS 38 1HZ LYS 38 1.852 1.668 -14.693 288 2HZ LYS 38 2HZ LYS 38 3.320 2.418 -14.963 289 3HZ LYS 38 3HZ LYS 38 3.054 1.479 -13.618 290 H LYS 39 H LYS 39 -0.809 -0.173 -8.914 291 HA LYS 39 HA LYS 39 -2.642 0.935 -6.878 292 1HB LYS 39 2HB LYS 39 -3.109 -1.725 -8.309 293 2HB LYS 39 3HB LYS 39 -3.992 -1.117 -6.927 294 1HG LYS 39 2HG LYS 39 -4.695 0.871 -8.419 295 2HG LYS 39 3HG LYS 39 -3.961 -0.024 -9.755 296 1HD LYS 39 2HD LYS 39 -6.210 -0.705 -9.864 297 2HD LYS 39 3HD LYS 39 -5.422 -2.034 -9.001 298 1HE LYS 39 2HE LYS 39 -6.161 -0.806 -6.805 299 2HE LYS 39 3HE LYS 39 -7.121 0.234 -7.865 300 1HZ LYS 39 1HZ LYS 39 -8.246 -1.862 -8.603 301 2HZ LYS 39 2HZ LYS 39 -7.441 -2.680 -7.419 302 3HZ LYS 39 3HZ LYS 39 -8.452 -1.526 -7.005 303 H VAL 40 H VAL 40 -2.597 -0.299 -4.852 304 HA VAL 40 HA VAL 40 -0.440 -2.316 -4.618 305 HB VAL 40 HB VAL 40 -1.252 0.065 -2.947 306 1HG1 VAL 40 1HG1 VAL 40 -0.210 -2.522 -1.809 307 2HG1 VAL 40 2HG1 VAL 40 -0.150 -0.942 -0.977 308 3HG1 VAL 40 3HG1 VAL 40 -1.717 -1.624 -1.448 309 1HG2 VAL 40 1HG2 VAL 40 1.445 -1.257 -3.439 310 2HG2 VAL 40 2HG2 VAL 40 0.767 0.028 -4.460 311 3HG2 VAL 40 3HG2 VAL 40 1.124 0.361 -2.754 312 H CYS 41 H CYS 41 -1.233 -4.180 -3.756 313 HA CYS 41 HA CYS 41 -4.161 -4.307 -3.074 314 1HB CYS 41 2HB CYS 41 -2.510 -6.324 -4.661 315 2HB CYS 41 3HB CYS 41 -4.158 -6.572 -4.038 316 HG CYS 41 HG CYS 41 -3.080 -4.285 -6.137 317 H ILE 42 H ILE 42 -4.282 -4.783 -0.913 318 HA ILE 42 HA ILE 42 -2.020 -6.307 0.307 319 HB ILE 42 HB ILE 42 -3.974 -4.395 1.595 320 1HG1 ILE 42 2HG1 ILE 42 -1.160 -3.967 0.530 321 2HG1 ILE 42 3HG1 ILE 42 -2.636 -3.062 0.163 322 1HG2 ILE 42 1HG2 ILE 42 -1.367 -5.514 2.699 323 2HG2 ILE 42 2HG2 ILE 42 -2.619 -4.605 3.557 324 3HG2 ILE 42 3HG2 ILE 42 -2.960 -6.233 3.049 325 1HD1 ILE 42 1HD1 ILE 42 -1.038 -3.004 2.739 326 2HD1 ILE 42 2HD1 ILE 42 -1.281 -1.694 1.573 327 3HD1 ILE 42 3HD1 ILE 42 -2.643 -2.254 2.565 328 H GLU 43 H GLU 43 -2.465 -8.103 1.458 329 HA GLU 43 HA GLU 43 -5.277 -9.010 1.810 330 1HB GLU 43 2HB GLU 43 -4.412 -9.797 -0.428 331 2HB GLU 43 3HB GLU 43 -3.114 -10.648 0.413 332 1HG GLU 43 2HG GLU 43 -4.802 -12.029 1.596 333 2HG GLU 43 3HG GLU 43 -6.102 -11.146 0.781 334 H SER 44 H SER 44 -4.974 -8.723 4.089 335 HA SER 44 HA SER 44 -2.836 -10.252 5.406 336 1HB SER 44 2HB SER 44 -1.927 -7.995 4.371 337 2HB SER 44 3HB SER 44 -2.734 -7.237 5.737 338 HG SER 44 HG SER 44 -1.447 -8.583 7.096 339 H GLU 45 H GLU 45 -3.780 -10.968 7.257 340 HA GLU 45 HA GLU 45 -6.220 -9.753 8.218 341 1HB GLU 45 2HB GLU 45 -5.749 -12.195 8.112 342 2HB GLU 45 3HB GLU 45 -4.609 -12.016 9.456 343 1HG GLU 45 2HG GLU 45 -6.375 -11.389 10.962 344 2HG GLU 45 3HG GLU 45 -7.517 -11.108 9.641 345 H HIS 46 H HIS 46 -5.017 -7.592 8.473 346 HA HIS 46 HA HIS 46 -5.387 -7.402 11.318 347 1HB HIS 46 2HB HIS 46 -3.579 -6.132 12.038 348 2HB HIS 46 3HB HIS 46 -2.865 -7.487 11.181 349 HD1 HIS 46 1HD HIS 46 -3.767 -3.748 10.341 350 HD2 HIS 46 2HD HIS 46 -0.749 -6.668 9.954 351 HE1 HIS 46 1HE HIS 46 -1.645 -2.551 9.694 352 H SER 47 H SER 47 -5.493 -4.908 11.927 353 HA SER 47 HA SER 47 -7.713 -3.969 10.522 354 1HB SER 47 2HB SER 47 -7.143 -3.271 12.839 355 2HB SER 47 3HB SER 47 -5.821 -2.273 12.182 356 HG SER 47 HG SER 47 -7.728 -1.047 12.458 357 H MET 48 H MET 48 -8.041 -2.702 8.838 358 HA MET 48 HA MET 48 -5.949 -2.237 6.917 359 1HB MET 48 2HB MET 48 -8.820 -1.217 6.834 360 2HB MET 48 3HB MET 48 -7.724 -1.533 5.477 361 1HG MET 48 2HG MET 48 -7.701 -3.976 6.232 362 2HG MET 48 3HG MET 48 -9.007 -3.571 7.349 363 1HE MET 48 1HE MET 48 -10.645 -5.365 6.581 364 2HE MET 48 2HE MET 48 -10.906 -5.746 4.868 365 3HE MET 48 3HE MET 48 -9.299 -5.963 5.586 366 H ASP 49 H ASP 49 -7.739 -0.278 9.258 367 HA ASP 49 HA ASP 49 -7.174 2.324 8.333 368 1HB ASP 49 2HB ASP 49 -8.800 2.000 10.086 369 2HB ASP 49 3HB ASP 49 -7.599 1.227 11.140 370 H THR 50 H THR 50 -5.471 0.366 10.671 371 HA THR 50 HA THR 50 -3.273 1.890 11.312 372 HB THR 50 HB THR 50 -3.270 -1.103 10.719 373 HG1 THR 50 1HG THR 50 -4.308 0.414 12.861 374 1HG2 THR 50 1HG2 THR 50 -1.735 0.498 12.809 375 2HG2 THR 50 2HG2 THR 50 -1.724 -1.270 12.604 376 3HG2 THR 50 3HG2 THR 50 -1.042 -0.229 11.341 377 H LEU 51 H LEU 51 -3.522 -0.343 8.476 378 HA LEU 51 HA LEU 51 -0.935 0.290 7.417 379 1HB LEU 51 2HB LEU 51 -3.445 -0.625 5.940 380 2HB LEU 51 3HB LEU 51 -1.802 -0.606 5.288 381 HG LEU 51 HG LEU 51 -2.733 -2.233 7.704 382 1HD1 LEU 51 1HD1 LEU 51 -2.142 -3.008 4.862 383 2HD1 LEU 51 2HD1 LEU 51 -2.535 -4.159 6.169 384 3HD1 LEU 51 3HD1 LEU 51 -3.749 -2.981 5.624 385 1HD2 LEU 51 1HD2 LEU 51 -0.504 -3.421 7.249 386 2HD2 LEU 51 2HD2 LEU 51 -0.095 -2.101 6.143 387 3HD2 LEU 51 3HD2 LEU 51 -0.321 -1.784 7.875 388 H LEU 52 H LEU 52 -4.226 1.525 6.536 389 HA LEU 52 HA LEU 52 -3.512 3.266 4.547 390 1HB LEU 52 2HB LEU 52 -5.686 2.402 5.441 391 2HB LEU 52 3HB LEU 52 -5.649 3.624 6.699 392 HG LEU 52 HG LEU 52 -5.467 4.411 3.765 393 1HD1 LEU 52 1HD1 LEU 52 -7.980 4.431 3.793 394 2HD1 LEU 52 2HD1 LEU 52 -7.296 2.796 3.972 395 3HD1 LEU 52 3HD1 LEU 52 -7.923 3.641 5.394 396 1HD2 LEU 52 1HD2 LEU 52 -5.128 6.131 5.506 397 2HD2 LEU 52 2HD2 LEU 52 -6.671 6.402 4.655 398 3HD2 LEU 52 3HD2 LEU 52 -6.660 5.676 6.281 399 H ALA 53 H ALA 53 -3.668 3.933 8.061 400 HA ALA 53 HA ALA 53 -2.769 6.635 7.993 401 1HB ALA 53 1HB ALA 53 -2.629 4.567 10.230 402 2HB ALA 53 2HB ALA 53 -2.492 6.327 10.425 403 3HB ALA 53 3HB ALA 53 -4.023 5.609 9.880 404 H THR 54 H THR 54 -0.946 3.585 8.312 405 HA THR 54 HA THR 54 1.601 4.874 8.612 406 HB THR 54 HB THR 54 0.795 2.109 7.647 407 HG1 THR 54 1HG THR 54 1.802 3.143 10.089 408 1HG2 THR 54 1HG2 THR 54 3.551 3.265 8.222 409 2HG2 THR 54 2HG2 THR 54 3.178 1.530 8.189 410 3HG2 THR 54 3HG2 THR 54 2.951 2.486 6.732 411 H LEU 55 H LEU 55 0.210 3.326 5.629 412 HA LEU 55 HA LEU 55 2.432 4.058 4.053 413 1HB LEU 55 2HB LEU 55 1.209 3.216 2.223 414 2HB LEU 55 3HB LEU 55 1.173 2.193 3.640 415 HG LEU 55 HG LEU 55 -1.180 3.499 4.022 416 1HD1 LEU 55 1HD1 LEU 55 -0.716 4.793 1.980 417 2HD1 LEU 55 2HD1 LEU 55 -0.740 3.289 1.045 418 3HD1 LEU 55 3HD1 LEU 55 -2.233 3.851 1.864 419 1HD2 LEU 55 1HD2 LEU 55 -0.686 1.122 2.173 420 2HD2 LEU 55 2HD2 LEU 55 -0.738 1.049 3.942 421 3HD2 LEU 55 3HD2 LEU 55 -2.208 1.479 3.033 422 H LYS 56 H LYS 56 -0.608 5.702 4.586 423 HA LYS 56 HA LYS 56 -0.625 7.829 2.901 424 1HB LYS 56 2HB LYS 56 -1.171 7.445 5.819 425 2HB LYS 56 3HB LYS 56 -0.898 9.111 5.385 426 1HG LYS 56 2HG LYS 56 -2.629 9.077 3.684 427 2HG LYS 56 3HG LYS 56 -2.932 7.346 3.981 428 1HD LYS 56 2HD LYS 56 -3.559 7.769 6.259 429 2HD LYS 56 3HD LYS 56 -3.062 9.465 6.173 430 1HE LYS 56 2HE LYS 56 -4.867 10.019 4.641 431 2HE LYS 56 3HE LYS 56 -5.264 8.318 4.382 432 1HZ LYS 56 1HZ LYS 56 -6.812 9.361 5.867 433 2HZ LYS 56 2HZ LYS 56 -5.993 8.188 6.668 434 3HZ LYS 56 3HZ LYS 56 -5.623 9.771 6.923 435 H LYS 57 H LYS 57 1.742 7.342 5.524 436 HA LYS 57 HA LYS 57 2.759 10.000 5.552 437 1HB LYS 57 2HB LYS 57 3.919 7.377 6.489 438 2HB LYS 57 3HB LYS 57 4.584 8.975 6.894 439 1HG LYS 57 2HG LYS 57 2.333 9.547 7.887 440 2HG LYS 57 3HG LYS 57 1.830 7.867 7.582 441 1HD LYS 57 2HD LYS 57 3.951 7.179 8.920 442 2HD LYS 57 3HD LYS 57 3.988 8.849 9.484 443 1HE LYS 57 2HE LYS 57 1.901 6.680 9.964 444 2HE LYS 57 3HE LYS 57 2.818 7.599 11.161 445 1HZ LYS 57 1HZ LYS 57 0.621 8.534 9.442 446 2HZ LYS 57 2HZ LYS 57 0.588 8.358 11.072 447 3HZ LYS 57 3HZ LYS 57 1.511 9.551 10.411 448 H THR 58 H THR 58 3.267 7.544 3.152 449 HA THR 58 HA THR 58 5.869 8.367 2.221 450 HB THR 58 HB THR 58 5.080 7.623 0.007 451 HG1 THR 58 1HG THR 58 2.607 7.020 1.252 452 1HG2 THR 58 1HG2 THR 58 5.952 5.945 1.525 453 2HG2 THR 58 2HG2 THR 58 4.365 5.765 2.296 454 3HG2 THR 58 3HG2 THR 58 4.592 5.261 0.603 455 H GLY 59 H GLY 59 2.652 9.825 2.081 456 1HA GLY 59 2HA GLY 59 1.980 11.885 1.428 457 2HA GLY 59 3HA GLY 59 3.669 12.360 1.175 458 H LYS 60 H LYS 60 2.507 9.468 -0.504 459 HA LYS 60 HA LYS 60 2.464 10.968 -3.066 460 1HB LYS 60 2HB LYS 60 1.833 8.028 -2.547 461 2HB LYS 60 3HB LYS 60 1.998 8.804 -4.119 462 1HG LYS 60 2HG LYS 60 4.144 8.104 -2.134 463 2HG LYS 60 3HG LYS 60 3.980 7.598 -3.818 464 1HD LYS 60 2HD LYS 60 4.760 10.321 -2.776 465 2HD LYS 60 3HD LYS 60 5.818 9.164 -3.567 466 1HE LYS 60 2HE LYS 60 3.462 10.615 -4.917 467 2HE LYS 60 3HE LYS 60 5.159 11.030 -5.078 468 1HZ LYS 60 1HZ LYS 60 3.974 8.475 -6.000 469 2HZ LYS 60 2HZ LYS 60 4.128 9.804 -6.875 470 3HZ LYS 60 3HZ LYS 60 5.500 9.045 -6.337 471 H THR 61 H THR 61 0.541 10.757 -4.499 472 HA THR 61 HA THR 61 -1.902 11.397 -3.292 473 HB THR 61 HB THR 61 -1.548 10.311 -6.079 474 HG1 THR 61 1HG THR 61 -0.401 12.136 -6.678 475 1HG2 THR 61 1HG2 THR 61 -2.818 12.882 -5.019 476 2HG2 THR 61 2HG2 THR 61 -2.878 12.307 -6.701 477 3HG2 THR 61 3HG2 THR 61 -3.709 11.394 -5.425 478 H VAL 62 H VAL 62 -1.326 9.025 -2.033 479 HA VAL 62 HA VAL 62 -2.496 6.758 -3.465 480 HB VAL 62 HB VAL 62 -0.600 6.226 -2.190 481 1HG1 VAL 62 1HG1 VAL 62 -0.475 6.462 0.287 482 2HG1 VAL 62 2HG1 VAL 62 -0.443 8.005 -0.551 483 3HG1 VAL 62 3HG1 VAL 62 -1.937 7.469 0.248 484 1HG2 VAL 62 1HG2 VAL 62 -1.368 4.410 -0.883 485 2HG2 VAL 62 2HG2 VAL 62 -2.894 5.220 -0.469 486 3HG2 VAL 62 3HG2 VAL 62 -2.608 4.647 -2.120 487 H SER 63 H SER 63 -4.467 5.762 -3.012 488 HA SER 63 HA SER 63 -6.069 6.743 -0.760 489 1HB SER 63 2HB SER 63 -6.712 8.269 -2.625 490 2HB SER 63 3HB SER 63 -7.195 6.853 -3.588 491 HG SER 63 HG SER 63 -8.949 7.814 -2.387 492 H TYR 64 H TYR 64 -8.220 5.464 -0.882 493 HA TYR 64 HA TYR 64 -7.391 2.576 -0.861 494 1HB TYR 64 2HB TYR 64 -7.516 3.524 1.340 495 2HB TYR 64 3HB TYR 64 -9.069 4.279 1.000 496 HD1 TYR 64 HD1 TYR 64 -11.091 3.163 1.535 497 HD2 TYR 64 HD2 TYR 64 -7.433 0.902 1.272 498 HE1 TYR 64 HE1 TYR 64 -12.155 1.298 2.756 499 HE2 TYR 64 HE2 TYR 64 -8.444 -0.871 2.680 500 HH TYR 64 HH TYR 64 -11.820 -0.731 3.817 501 H LEU 65 H LEU 65 -8.597 1.261 -2.158 502 HA LEU 65 HA LEU 65 -11.451 1.731 -2.591 503 1HB LEU 65 2HB LEU 65 -10.957 1.405 -5.132 504 2HB LEU 65 3HB LEU 65 -11.069 2.992 -4.379 505 HG LEU 65 HG LEU 65 -9.349 2.849 -6.013 506 1HD1 LEU 65 1HD1 LEU 65 -7.773 3.261 -3.562 507 2HD1 LEU 65 2HD1 LEU 65 -7.793 4.163 -5.070 508 3HD1 LEU 65 3HD1 LEU 65 -9.139 4.339 -3.954 509 1HD2 LEU 65 1HD2 LEU 65 -7.334 1.578 -5.870 510 2HD2 LEU 65 2HD2 LEU 65 -7.878 0.825 -4.354 511 3HD2 LEU 65 3HD2 LEU 65 -8.738 0.517 -5.877 512 H GLY 66 H GLY 66 -11.307 -0.239 -1.285 513 1HA GLY 66 2HA GLY 66 -12.353 -2.370 -2.542 514 2HA GLY 66 3HA GLY 66 -10.620 -2.737 -2.661 515 H LEU 67 H LEU 67 -12.937 -3.932 -0.916 516 HA LEU 67 HA LEU 67 -11.468 -4.124 1.593 517 1HB LEU 67 2HB LEU 67 -12.744 -2.252 2.190 518 2HB LEU 67 3HB LEU 67 -14.021 -2.625 1.031 519 HG LEU 67 HG LEU 67 -14.821 -4.449 2.377 520 1HD1 LEU 67 1HD1 LEU 67 -12.747 -5.006 3.682 521 2HD1 LEU 67 2HD1 LEU 67 -12.838 -3.429 4.489 522 3HD1 LEU 67 3HD1 LEU 67 -14.092 -4.655 4.771 523 1HD2 LEU 67 1HD2 LEU 67 -14.650 -1.779 3.838 524 2HD2 LEU 67 2HD2 LEU 67 -15.816 -2.215 2.569 525 3HD2 LEU 67 3HD2 LEU 67 -15.864 -3.043 4.135 526 H GLU 68 H GLU 68 -11.578 -6.357 2.022 527 HA GLU 68 HA GLU 68 -14.131 -7.679 1.822 528 1HB GLU 68 2HB GLU 68 -12.667 -8.145 -0.397 529 2HB GLU 68 3HB GLU 68 -11.754 -9.175 0.710 530 1HG GLU 68 2HG GLU 68 -14.158 -10.144 1.302 531 2HG GLU 68 3HG GLU 68 -14.619 -9.406 -0.231 Start of MODEL 6 1 1H MET 1 H1 MET 1 -7.716 -13.698 3.085 2 2H MET 1 H2 MET 1 -7.901 -14.876 1.932 3 3H MET 1 H3 MET 1 -7.461 -13.376 1.506 4 HA MET 1 HA MET 1 -9.649 -13.622 0.895 5 1HB MET 1 2HB MET 1 -10.049 -14.670 3.693 6 2HB MET 1 3HB MET 1 -11.381 -13.868 2.832 7 1HG MET 1 2HG MET 1 -11.165 -15.431 0.969 8 2HG MET 1 3HG MET 1 -9.809 -16.244 1.773 9 1HE MET 1 1HE MET 1 -11.047 -18.551 1.371 10 2HE MET 1 2HE MET 1 -12.714 -18.870 1.905 11 3HE MET 1 3HE MET 1 -12.410 -17.694 0.606 12 HA PRO 2 HA PRO 2 -10.850 -9.803 3.313 13 1HB PRO 2 2HB PRO 2 -9.592 -9.067 5.657 14 2HB PRO 2 3HB PRO 2 -11.080 -10.063 5.580 15 1HG PRO 2 2HG PRO 2 -8.208 -11.003 5.828 16 2HG PRO 2 3HG PRO 2 -9.616 -11.528 6.800 17 1HD PRO 2 2HD PRO 2 -8.748 -12.993 4.732 18 2HD PRO 2 3HD PRO 2 -10.511 -12.763 4.976 19 H LYS 3 H LYS 3 -10.001 -8.025 2.264 20 HA LYS 3 HA LYS 3 -7.155 -7.417 2.425 21 1HB LYS 3 2HB LYS 3 -6.709 -7.601 0.043 22 2HB LYS 3 3HB LYS 3 -7.055 -9.141 0.840 23 1HG LYS 3 2HG LYS 3 -9.431 -8.913 0.100 24 2HG LYS 3 3HG LYS 3 -8.924 -7.513 -0.856 25 1HD LYS 3 2HD LYS 3 -7.596 -10.263 -1.095 26 2HD LYS 3 3HD LYS 3 -9.057 -9.911 -2.000 27 1HE LYS 3 2HE LYS 3 -6.544 -8.173 -2.208 28 2HE LYS 3 3HE LYS 3 -6.830 -9.587 -3.228 29 1HZ LYS 3 1HZ LYS 3 -8.704 -7.288 -3.103 30 2HZ LYS 3 2HZ LYS 3 -7.587 -7.469 -4.257 31 3HZ LYS 3 3HZ LYS 3 -8.873 -8.547 -4.021 32 H HIS 4 H HIS 4 -6.527 -5.560 1.209 33 HA HIS 4 HA HIS 4 -8.613 -3.436 1.200 34 1HB HIS 4 2HB HIS 4 -5.835 -3.340 2.417 35 2HB HIS 4 3HB HIS 4 -7.033 -2.045 2.436 36 HD1 HIS 4 1HD HIS 4 -5.738 -4.553 4.677 37 HD2 HIS 4 2HD HIS 4 -9.589 -3.249 3.586 38 HE1 HIS 4 1HE HIS 4 -7.313 -5.288 6.541 39 H GLU 5 H GLU 5 -8.660 -2.702 -0.918 40 HA GLU 5 HA GLU 5 -6.218 -2.930 -2.610 41 1HB GLU 5 2HB GLU 5 -9.154 -2.417 -3.115 42 2HB GLU 5 3HB GLU 5 -7.943 -2.239 -4.381 43 1HG GLU 5 2HG GLU 5 -8.180 -4.815 -2.771 44 2HG GLU 5 3HG GLU 5 -9.211 -4.486 -4.156 45 H PHE 6 H PHE 6 -5.175 -1.158 -3.473 46 HA PHE 6 HA PHE 6 -6.209 1.578 -2.884 47 1HB PHE 6 2HB PHE 6 -3.376 0.488 -2.495 48 2HB PHE 6 3HB PHE 6 -3.813 2.177 -2.360 49 HD1 PHE 6 1HD PHE 6 -4.311 -1.203 -0.825 50 HD2 PHE 6 2HD PHE 6 -4.463 3.068 -0.237 51 HE1 PHE 6 1HE PHE 6 -4.586 -1.545 1.603 52 HE2 PHE 6 2HE PHE 6 -4.681 2.717 2.207 53 HZ PHE 6 HZ PHE 6 -4.791 0.411 3.133 54 H SER 7 H SER 7 -5.758 3.050 -4.519 55 HA SER 7 HA SER 7 -4.185 2.048 -6.849 56 1HB SER 7 2HB SER 7 -6.413 2.866 -7.498 57 2HB SER 7 3HB SER 7 -5.977 4.472 -6.860 58 HG SER 7 HG SER 7 -4.263 3.157 -8.704 59 H VAL 8 H VAL 8 -2.230 3.005 -7.216 60 HA VAL 8 HA VAL 8 -1.264 5.089 -5.325 61 HB VAL 8 HB VAL 8 -0.021 2.406 -6.086 62 1HG1 VAL 8 1HG1 VAL 8 1.712 2.993 -4.479 63 2HG1 VAL 8 2HG1 VAL 8 1.558 4.372 -5.583 64 3HG1 VAL 8 3HG1 VAL 8 0.833 4.458 -3.978 65 1HG2 VAL 8 1HG2 VAL 8 -1.450 3.346 -3.566 66 2HG2 VAL 8 2HG2 VAL 8 -1.780 1.891 -4.528 67 3HG2 VAL 8 3HG2 VAL 8 -0.307 2.003 -3.537 68 H ASP 9 H ASP 9 -0.631 6.734 -6.751 69 HA ASP 9 HA ASP 9 0.091 6.100 -9.476 70 1HB ASP 9 2HB ASP 9 -0.833 8.311 -8.744 71 2HB ASP 9 3HB ASP 9 0.777 8.691 -8.088 72 H MET 10 H MET 10 1.574 4.387 -8.998 73 HA MET 10 HA MET 10 4.260 5.042 -8.083 74 1HB MET 10 2HB MET 10 3.113 2.583 -9.466 75 2HB MET 10 3HB MET 10 4.794 2.735 -8.911 76 1HG MET 10 2HG MET 10 4.029 3.181 -6.616 77 2HG MET 10 3HG MET 10 2.346 3.014 -7.128 78 1HE MET 10 1HE MET 10 1.081 0.796 -7.373 79 2HE MET 10 2HE MET 10 2.081 0.590 -8.824 80 3HE MET 10 3HE MET 10 1.920 -0.743 -7.660 81 H THR 11 H THR 11 4.340 6.974 -9.400 82 HA THR 11 HA THR 11 4.475 6.847 -12.215 83 HB THR 11 HB THR 11 5.929 9.032 -10.788 84 HG1 THR 11 1HG THR 11 3.176 8.524 -10.305 85 1HG2 THR 11 1HG2 THR 11 5.200 9.206 -13.170 86 2HG2 THR 11 2HG2 THR 11 3.507 9.033 -12.645 87 3HG2 THR 11 3HG2 THR 11 4.452 10.447 -12.139 88 H CYS 12 H CYS 12 6.920 6.290 -9.703 89 HA CYS 12 HA CYS 12 8.885 5.641 -11.849 90 1HB CYS 12 2HB CYS 12 9.560 7.779 -10.849 91 2HB CYS 12 3HB CYS 12 9.409 7.092 -9.213 92 HG CYS 12 HG CYS 12 11.930 7.213 -9.759 93 H GLY 13 H GLY 13 10.044 3.726 -11.317 94 1HA GLY 13 2HA GLY 13 8.870 1.678 -9.882 95 2HA GLY 13 3HA GLY 13 10.612 1.817 -10.172 96 H GLY 14 H GLY 14 11.230 4.112 -8.671 97 1HA GLY 14 2HA GLY 14 11.563 2.953 -6.139 98 2HA GLY 14 3HA GLY 14 11.901 4.656 -6.530 99 H CYS 15 H CYS 15 8.785 4.697 -7.333 100 HA CYS 15 HA CYS 15 7.725 5.687 -4.894 101 1HB CYS 15 2HB CYS 15 6.698 6.194 -7.025 102 2HB CYS 15 3HB CYS 15 6.234 4.478 -7.208 103 HG CYS 15 HG CYS 15 5.527 6.541 -4.717 104 H ALA 16 H ALA 16 7.749 2.482 -6.507 105 HA ALA 16 HA ALA 16 6.095 1.147 -4.573 106 1HB ALA 16 1HB ALA 16 6.358 0.306 -6.879 107 2HB ALA 16 2HB ALA 16 8.079 -0.034 -6.573 108 3HB ALA 16 3HB ALA 16 6.835 -0.907 -5.673 109 H GLU 17 H GLU 17 9.654 1.572 -4.943 110 HA GLU 17 HA GLU 17 10.391 -0.021 -2.693 111 1HB GLU 17 2HB GLU 17 11.637 2.501 -3.876 112 2HB GLU 17 3HB GLU 17 12.131 1.864 -2.331 113 1HG GLU 17 2HG GLU 17 12.461 -0.416 -3.544 114 2HG GLU 17 3HG GLU 17 12.467 0.567 -5.022 115 H ALA 18 H ALA 18 9.367 3.433 -2.848 116 HA ALA 18 HA ALA 18 9.753 3.949 -0.089 117 1HB ALA 18 1HB ALA 18 9.348 5.715 -1.778 118 2HB ALA 18 2HB ALA 18 7.649 5.208 -1.904 119 3HB ALA 18 3HB ALA 18 8.263 5.857 -0.377 120 H VAL 19 H VAL 19 6.760 3.032 -1.803 121 HA VAL 19 HA VAL 19 5.040 2.749 0.409 122 HB VAL 19 HB VAL 19 5.133 1.378 -2.299 123 1HG1 VAL 19 1HG1 VAL 19 3.836 -0.115 -0.865 124 2HG1 VAL 19 2HG1 VAL 19 2.934 1.271 -0.191 125 3HG1 VAL 19 3HG1 VAL 19 2.750 0.805 -1.894 126 1HG2 VAL 19 1HG2 VAL 19 3.346 2.961 -2.834 127 2HG2 VAL 19 2HG2 VAL 19 3.362 3.601 -1.180 128 3HG2 VAL 19 3HG2 VAL 19 4.748 3.863 -2.254 129 H SER 20 H SER 20 6.946 0.221 -1.266 130 HA SER 20 HA SER 20 6.265 -1.945 0.344 131 1HB SER 20 2HB SER 20 7.511 -2.121 -1.806 132 2HB SER 20 3HB SER 20 8.906 -1.305 -1.087 133 HG SER 20 HG SER 20 9.199 -3.541 -1.129 134 H ARG 21 H ARG 21 9.102 0.216 0.717 135 HA ARG 21 HA ARG 21 10.128 -1.031 2.995 136 1HB ARG 21 2HB ARG 21 10.431 1.777 1.886 137 2HB ARG 21 3HB ARG 21 11.396 1.152 3.239 138 1HG ARG 21 2HG ARG 21 12.335 -0.613 1.907 139 2HG ARG 21 3HG ARG 21 11.188 -0.389 0.613 140 1HD ARG 21 2HD ARG 21 13.228 0.417 -0.172 141 2HD ARG 21 3HD ARG 21 12.160 1.811 0.049 142 HE ARG 21 HE ARG 21 13.527 1.727 2.410 143 1HH1 ARG 21 2HH2 ARG 21 14.693 1.682 -1.001 144 2HH1 ARG 21 1HH2 ARG 21 16.043 2.684 -0.670 145 1HH2 ARG 21 2HH1 ARG 21 15.412 2.993 2.821 146 2HH2 ARG 21 1HH1 ARG 21 16.501 3.386 1.531 147 H VAL 22 H VAL 22 7.727 1.814 2.897 148 HA VAL 22 HA VAL 22 7.719 1.947 5.695 149 HB VAL 22 HB VAL 22 7.084 3.795 4.285 150 1HG1 VAL 22 1HG1 VAL 22 4.658 2.101 3.620 151 2HG1 VAL 22 2HG1 VAL 22 4.712 3.842 3.393 152 3HG1 VAL 22 3HG1 VAL 22 5.832 2.824 2.493 153 1HG2 VAL 22 1HG2 VAL 22 4.775 2.826 5.962 154 2HG2 VAL 22 2HG2 VAL 22 6.285 3.531 6.615 155 3HG2 VAL 22 3HG2 VAL 22 5.199 4.513 5.589 156 H LEU 23 H LEU 23 5.643 -0.031 3.403 157 HA LEU 23 HA LEU 23 3.997 -1.003 5.542 158 1HB LEU 23 2HB LEU 23 4.634 -2.021 2.768 159 2HB LEU 23 3HB LEU 23 3.780 -3.007 3.935 160 HG LEU 23 HG LEU 23 2.160 -2.133 2.613 161 1HD1 LEU 23 1HD1 LEU 23 1.944 -0.385 5.093 162 2HD1 LEU 23 2HD1 LEU 23 0.650 -1.079 4.117 163 3HD1 LEU 23 3HD1 LEU 23 1.667 -2.142 5.104 164 1HD2 LEU 23 1HD2 LEU 23 1.728 0.206 2.196 165 2HD2 LEU 23 2HD2 LEU 23 3.160 0.641 3.154 166 3HD2 LEU 23 3HD2 LEU 23 3.339 -0.302 1.648 167 H ASN 24 H ASN 24 6.995 -2.287 4.133 168 HA ASN 24 HA ASN 24 7.498 -4.456 5.857 169 1HB ASN 24 2HB ASN 24 9.061 -4.398 4.220 170 2HB ASN 24 3HB ASN 24 9.077 -2.658 4.137 171 1HD2 ASN 24 1HD2 ASN 24 10.204 -1.418 5.649 172 2HD2 ASN 24 2HD2 ASN 24 11.729 -2.070 6.290 173 H LYS 25 H LYS 25 7.993 -0.963 6.468 174 HA LYS 25 HA LYS 25 9.072 -1.403 9.121 175 1HB LYS 25 2HB LYS 25 7.978 1.003 7.634 176 2HB LYS 25 3HB LYS 25 8.248 1.072 9.363 177 1HG LYS 25 2HG LYS 25 10.370 0.386 7.266 178 2HG LYS 25 3HG LYS 25 10.154 1.937 8.072 179 1HD LYS 25 2HD LYS 25 11.654 1.221 9.588 180 2HD LYS 25 3HD LYS 25 10.317 0.289 10.260 181 1HE LYS 25 2HE LYS 25 11.120 -1.586 8.530 182 2HE LYS 25 3HE LYS 25 12.582 -0.611 8.422 183 1HZ LYS 25 1HZ LYS 25 12.761 -2.354 10.045 184 2HZ LYS 25 2HZ LYS 25 12.836 -0.901 10.814 185 3HZ LYS 25 3HZ LYS 25 11.457 -1.805 10.874 186 H LEU 26 H LEU 26 5.769 -0.861 7.937 187 HA LEU 26 HA LEU 26 4.536 -0.669 10.429 188 1HB LEU 26 2HB LEU 26 3.504 -0.549 8.113 189 2HB LEU 26 3HB LEU 26 3.350 -2.278 8.109 190 HG LEU 26 HG LEU 26 1.345 -0.738 8.782 191 1HD1 LEU 26 1HD1 LEU 26 1.939 -3.236 10.403 192 2HD1 LEU 26 2HD1 LEU 26 0.352 -2.496 10.103 193 3HD1 LEU 26 3HD1 LEU 26 1.270 -3.189 8.756 194 1HD2 LEU 26 1HD2 LEU 26 2.566 0.437 10.677 195 2HD2 LEU 26 2HD2 LEU 26 1.028 -0.295 11.114 196 3HD2 LEU 26 3HD2 LEU 26 2.532 -1.099 11.565 197 H GLY 27 H GLY 27 5.344 -3.651 8.586 198 1HA GLY 27 2HA GLY 27 6.542 -4.960 10.572 199 2HA GLY 27 3HA GLY 27 4.850 -5.187 11.044 200 H GLY 28 H GLY 28 3.487 -6.659 9.932 201 1HA GLY 28 2HA GLY 28 5.080 -8.775 8.505 202 2HA GLY 28 3HA GLY 28 3.925 -9.052 9.814 203 H VAL 29 H VAL 29 4.068 -7.243 6.761 204 HA VAL 29 HA VAL 29 1.190 -7.829 6.301 205 HB VAL 29 HB VAL 29 1.499 -5.606 6.974 206 1HG1 VAL 29 1HG1 VAL 29 3.807 -5.188 6.801 207 2HG1 VAL 29 2HG1 VAL 29 3.826 -5.409 5.052 208 3HG1 VAL 29 3HG1 VAL 29 2.985 -4.021 5.773 209 1HG2 VAL 29 1HG2 VAL 29 0.704 -4.349 5.060 210 2HG2 VAL 29 2HG2 VAL 29 1.243 -5.607 3.947 211 3HG2 VAL 29 3HG2 VAL 29 -0.051 -5.952 5.112 212 H LYS 30 H LYS 30 0.825 -9.194 4.555 213 HA LYS 30 HA LYS 30 2.643 -8.976 2.267 214 1HB LYS 30 2HB LYS 30 1.235 -11.075 2.922 215 2HB LYS 30 3HB LYS 30 0.015 -10.298 1.902 216 1HG LYS 30 2HG LYS 30 2.829 -11.170 1.188 217 2HG LYS 30 3HG LYS 30 1.312 -11.768 0.501 218 1HD LYS 30 2HD LYS 30 0.971 -9.577 -0.681 219 2HD LYS 30 3HD LYS 30 2.393 -8.932 0.137 220 1HE LYS 30 2HE LYS 30 3.278 -9.274 -1.835 221 2HE LYS 30 3HE LYS 30 3.831 -10.651 -0.888 222 1HZ LYS 30 1HZ LYS 30 1.914 -11.887 -2.014 223 2HZ LYS 30 2HZ LYS 30 1.741 -10.567 -3.001 224 3HZ LYS 30 3HZ LYS 30 3.110 -11.386 -3.038 225 H TYR 31 H TYR 31 2.591 -6.950 1.724 226 HA TYR 31 HA TYR 31 0.186 -5.728 0.431 227 1HB TYR 31 2HB TYR 31 1.644 -3.813 -0.024 228 2HB TYR 31 3HB TYR 31 1.434 -4.123 1.695 229 HD1 TYR 31 HD1 TYR 31 3.261 -5.123 3.014 230 HD2 TYR 31 HD2 TYR 31 3.854 -4.085 -1.089 231 HE1 TYR 31 HE1 TYR 31 5.727 -5.289 3.351 232 HE2 TYR 31 HE2 TYR 31 6.300 -4.369 -0.811 233 HH TYR 31 HH TYR 31 8.003 -4.342 0.806 234 H ASP 32 H ASP 32 -0.095 -6.231 -1.718 235 HA ASP 32 HA ASP 32 2.325 -7.084 -3.235 236 1HB ASP 32 2HB ASP 32 0.098 -8.581 -3.035 237 2HB ASP 32 3HB ASP 32 -0.408 -7.530 -4.366 238 H ILE 33 H ILE 33 2.251 -6.328 -5.513 239 HA ILE 33 HA ILE 33 1.611 -3.386 -5.565 240 HB ILE 33 HB ILE 33 4.342 -4.708 -5.578 241 1HG1 ILE 33 2HG1 ILE 33 3.563 -2.182 -4.073 242 2HG1 ILE 33 3HG1 ILE 33 3.149 -3.761 -3.408 243 1HG2 ILE 33 1HG2 ILE 33 5.278 -2.468 -6.199 244 2HG2 ILE 33 2HG2 ILE 33 4.353 -3.177 -7.504 245 3HG2 ILE 33 3HG2 ILE 33 3.630 -1.900 -6.504 246 1HD1 ILE 33 1HD1 ILE 33 5.987 -2.954 -4.154 247 2HD1 ILE 33 2HD1 ILE 33 5.280 -2.895 -2.536 248 3HD1 ILE 33 3HD1 ILE 33 5.460 -4.457 -3.363 249 H ASP 34 H ASP 34 0.658 -3.022 -7.490 250 HA ASP 34 HA ASP 34 1.626 -4.524 -9.885 251 1HB ASP 34 2HB ASP 34 -0.699 -4.988 -9.204 252 2HB ASP 34 3HB ASP 34 -1.092 -3.286 -9.478 253 H LEU 35 H LEU 35 3.142 -3.291 -10.640 254 HA LEU 35 HA LEU 35 3.294 -0.466 -10.367 255 1HB LEU 35 2HB LEU 35 5.125 -2.406 -10.616 256 2HB LEU 35 3HB LEU 35 5.032 -1.961 -12.310 257 HG LEU 35 HG LEU 35 6.847 -0.809 -11.415 258 1HD1 LEU 35 1HD1 LEU 35 4.675 1.313 -11.313 259 2HD1 LEU 35 2HD1 LEU 35 6.396 1.537 -11.650 260 3HD1 LEU 35 3HD1 LEU 35 5.385 0.659 -12.815 261 1HD2 LEU 35 1HD2 LEU 35 6.850 0.558 -9.380 262 2HD2 LEU 35 2HD2 LEU 35 5.146 0.164 -9.098 263 3HD2 LEU 35 3HD2 LEU 35 6.380 -1.110 -9.029 264 HA PRO 36 HA PRO 36 2.219 -0.294 -15.065 265 1HB PRO 36 2HB PRO 36 0.580 -2.306 -16.064 266 2HB PRO 36 3HB PRO 36 2.339 -2.178 -16.315 267 1HG PRO 36 2HG PRO 36 0.865 -3.864 -14.321 268 2HG PRO 36 3HG PRO 36 2.291 -4.299 -15.291 269 1HD PRO 36 2HD PRO 36 2.492 -3.613 -12.712 270 2HD PRO 36 3HD PRO 36 3.744 -3.110 -13.874 271 H ASN 37 H ASN 37 -0.091 -2.058 -12.846 272 HA ASN 37 HA ASN 37 -2.363 -0.570 -13.791 273 1HB ASN 37 2HB ASN 37 -1.864 -2.088 -11.216 274 2HB ASN 37 3HB ASN 37 -3.326 -1.185 -11.524 275 1HD2 ASN 37 1HD2 ASN 37 -1.392 -3.588 -13.300 276 2HD2 ASN 37 2HD2 ASN 37 -2.749 -4.438 -14.002 277 H LYS 38 H LYS 38 -0.033 0.046 -11.133 278 HA LYS 38 HA LYS 38 0.288 1.827 -9.789 279 1HB LYS 38 2HB LYS 38 -1.746 3.354 -11.493 280 2HB LYS 38 3HB LYS 38 -1.103 3.950 -10.030 281 1HG LYS 38 2HG LYS 38 0.287 4.902 -11.623 282 2HG LYS 38 3HG LYS 38 1.250 3.567 -10.975 283 1HD LYS 38 2HD LYS 38 0.480 2.181 -12.977 284 2HD LYS 38 3HD LYS 38 -0.361 3.605 -13.575 285 1HE LYS 38 2HE LYS 38 1.730 3.373 -14.730 286 2HE LYS 38 3HE LYS 38 1.872 4.798 -13.683 287 1HZ LYS 38 1HZ LYS 38 2.831 2.115 -12.894 288 2HZ LYS 38 2HZ LYS 38 3.784 3.201 -13.691 289 3HZ LYS 38 3HZ LYS 38 3.236 3.566 -12.206 290 H LYS 39 H LYS 39 -0.727 -0.344 -9.017 291 HA LYS 39 HA LYS 39 -2.859 0.401 -7.119 292 1HB LYS 39 2HB LYS 39 -2.909 -1.757 -9.187 293 2HB LYS 39 3HB LYS 39 -3.444 -2.222 -7.567 294 1HG LYS 39 2HG LYS 39 -5.239 -0.746 -7.533 295 2HG LYS 39 3HG LYS 39 -4.617 0.231 -8.874 296 1HD LYS 39 2HD LYS 39 -6.590 -1.287 -9.416 297 2HD LYS 39 3HD LYS 39 -5.212 -1.331 -10.503 298 1HE LYS 39 2HE LYS 39 -4.420 -3.450 -9.205 299 2HE LYS 39 3HE LYS 39 -6.009 -3.426 -8.430 300 1HZ LYS 39 1HZ LYS 39 -5.866 -4.848 -10.363 301 2HZ LYS 39 2HZ LYS 39 -6.932 -3.632 -10.675 302 3HZ LYS 39 3HZ LYS 39 -5.415 -3.601 -11.333 303 H VAL 40 H VAL 40 -2.719 -0.661 -5.085 304 HA VAL 40 HA VAL 40 -0.578 -2.621 -4.709 305 HB VAL 40 HB VAL 40 -1.252 -0.035 -3.281 306 1HG1 VAL 40 1HG1 VAL 40 -0.020 -0.816 -1.290 307 2HG1 VAL 40 2HG1 VAL 40 -1.613 -1.545 -1.577 308 3HG1 VAL 40 3HG1 VAL 40 -0.129 -2.481 -1.936 309 1HG2 VAL 40 1HG2 VAL 40 1.182 0.196 -3.243 310 2HG2 VAL 40 2HG2 VAL 40 1.374 -1.439 -3.910 311 3HG2 VAL 40 3HG2 VAL 40 0.636 -0.149 -4.888 312 H CYS 41 H CYS 41 -1.349 -4.327 -3.510 313 HA CYS 41 HA CYS 41 -4.267 -4.291 -2.766 314 1HB CYS 41 2HB CYS 41 -2.834 -6.609 -4.118 315 2HB CYS 41 3HB CYS 41 -4.576 -6.372 -3.830 316 HG CYS 41 HG CYS 41 -4.948 -4.498 -5.497 317 H ILE 42 H ILE 42 -4.150 -4.469 -0.502 318 HA ILE 42 HA ILE 42 -1.891 -6.088 0.587 319 HB ILE 42 HB ILE 42 -3.605 -4.189 2.140 320 1HG1 ILE 42 2HG1 ILE 42 -1.054 -3.609 0.559 321 2HG1 ILE 42 3HG1 ILE 42 -2.630 -2.829 0.377 322 1HG2 ILE 42 1HG2 ILE 42 -0.800 -5.268 2.605 323 2HG2 ILE 42 2HG2 ILE 42 -1.741 -4.274 3.729 324 3HG2 ILE 42 3HG2 ILE 42 -2.270 -5.910 3.364 325 1HD1 ILE 42 1HD1 ILE 42 -0.703 -2.523 2.701 326 2HD1 ILE 42 2HD1 ILE 42 -1.215 -1.300 1.529 327 3HD1 ILE 42 3HD1 ILE 42 -2.377 -1.915 2.721 328 H GLU 43 H GLU 43 -2.271 -7.973 1.430 329 HA GLU 43 HA GLU 43 -4.990 -8.704 2.439 330 1HB GLU 43 2HB GLU 43 -4.779 -9.478 0.101 331 2HB GLU 43 3HB GLU 43 -3.320 -10.385 0.509 332 1HG GLU 43 2HG GLU 43 -4.550 -11.842 2.009 333 2HG GLU 43 3HG GLU 43 -6.005 -10.847 1.890 334 H SER 44 H SER 44 -4.156 -8.431 4.548 335 HA SER 44 HA SER 44 -2.521 -10.599 5.528 336 1HB SER 44 2HB SER 44 -1.110 -8.385 4.620 337 2HB SER 44 3HB SER 44 -1.343 -7.970 6.319 338 HG SER 44 HG SER 44 -0.166 -9.766 6.886 339 H GLU 45 H GLU 45 -2.550 -10.614 7.895 340 HA GLU 45 HA GLU 45 -5.007 -9.565 8.975 341 1HB GLU 45 2HB GLU 45 -2.716 -11.079 10.296 342 2HB GLU 45 3HB GLU 45 -4.324 -10.803 10.979 343 1HG GLU 45 2HG GLU 45 -5.350 -12.046 9.082 344 2HG GLU 45 3HG GLU 45 -3.740 -12.379 8.418 345 H HIS 46 H HIS 46 -4.126 -7.287 8.344 346 HA HIS 46 HA HIS 46 -3.400 -5.981 10.901 347 1HB HIS 46 2HB HIS 46 -2.147 -5.406 8.188 348 2HB HIS 46 3HB HIS 46 -2.175 -4.231 9.503 349 HD1 HIS 46 1HD HIS 46 -0.844 -5.093 11.846 350 HD2 HIS 46 2HD HIS 46 0.008 -6.869 8.139 351 HE1 HIS 46 1HE HIS 46 1.515 -6.046 12.022 352 H SER 47 H SER 47 -4.762 -4.237 11.254 353 HA SER 47 HA SER 47 -7.180 -4.201 9.777 354 1HB SER 47 2HB SER 47 -7.061 -3.538 12.141 355 2HB SER 47 3HB SER 47 -6.112 -2.103 11.694 356 HG SER 47 HG SER 47 -8.350 -1.640 11.899 357 H MET 48 H MET 48 -8.010 -2.891 8.274 358 HA MET 48 HA MET 48 -6.843 -1.559 6.237 359 1HB MET 48 2HB MET 48 -9.273 -2.118 6.736 360 2HB MET 48 3HB MET 48 -9.341 -0.703 7.785 361 1HG MET 48 2HG MET 48 -8.587 0.640 5.719 362 2HG MET 48 3HG MET 48 -8.910 -0.840 4.805 363 1HE MET 48 1HE MET 48 -12.810 -1.242 5.566 364 2HE MET 48 2HE MET 48 -11.342 -2.064 4.974 365 3HE MET 48 3HE MET 48 -11.578 -1.788 6.716 366 H ASP 49 H ASP 49 -7.940 -0.082 9.327 367 HA ASP 49 HA ASP 49 -7.109 2.547 8.708 368 1HB ASP 49 2HB ASP 49 -8.739 2.130 10.470 369 2HB ASP 49 3HB ASP 49 -7.550 1.207 11.413 370 H THR 50 H THR 50 -5.581 0.254 10.882 371 HA THR 50 HA THR 50 -3.262 1.552 11.497 372 HB THR 50 HB THR 50 -3.397 -1.432 10.879 373 HG1 THR 50 1HG THR 50 -3.980 -1.237 13.293 374 1HG2 THR 50 1HG2 THR 50 -1.827 0.173 12.951 375 2HG2 THR 50 2HG2 THR 50 -1.824 -1.599 12.787 376 3HG2 THR 50 3HG2 THR 50 -1.158 -0.591 11.493 377 H LEU 51 H LEU 51 -3.736 -0.553 8.595 378 HA LEU 51 HA LEU 51 -1.148 -0.098 7.459 379 1HB LEU 51 2HB LEU 51 -3.812 -0.622 6.071 380 2HB LEU 51 3HB LEU 51 -2.220 -0.661 5.289 381 HG LEU 51 HG LEU 51 -2.904 -2.406 7.702 382 1HD1 LEU 51 1HD1 LEU 51 -4.619 -2.881 6.073 383 2HD1 LEU 51 2HD1 LEU 51 -3.423 -3.015 4.771 384 3HD1 LEU 51 3HD1 LEU 51 -3.460 -4.220 6.081 385 1HD2 LEU 51 1HD2 LEU 51 -0.882 -2.654 5.439 386 2HD2 LEU 51 2HD2 LEU 51 -0.516 -2.246 7.129 387 3HD2 LEU 51 3HD2 LEU 51 -1.124 -3.857 6.723 388 H LEU 52 H LEU 52 -4.315 1.435 6.598 389 HA LEU 52 HA LEU 52 -3.455 3.183 4.711 390 1HB LEU 52 2HB LEU 52 -5.705 2.439 5.477 391 2HB LEU 52 3HB LEU 52 -5.659 3.612 6.781 392 HG LEU 52 HG LEU 52 -5.264 4.448 3.869 393 1HD1 LEU 52 1HD1 LEU 52 -7.192 2.959 3.966 394 2HD1 LEU 52 2HD1 LEU 52 -7.843 3.834 5.359 395 3HD1 LEU 52 3HD1 LEU 52 -7.761 4.637 3.764 396 1HD2 LEU 52 1HD2 LEU 52 -6.453 5.787 6.346 397 2HD2 LEU 52 2HD2 LEU 52 -4.881 6.161 5.612 398 3HD2 LEU 52 3HD2 LEU 52 -6.374 6.520 4.726 399 H ALA 53 H ALA 53 -3.935 3.957 8.185 400 HA ALA 53 HA ALA 53 -2.978 6.585 8.135 401 1HB ALA 53 1HB ALA 53 -2.908 4.550 10.412 402 2HB ALA 53 2HB ALA 53 -2.776 6.312 10.592 403 3HB ALA 53 3HB ALA 53 -4.286 5.591 9.997 404 H THR 54 H THR 54 -1.177 3.536 8.632 405 HA THR 54 HA THR 54 1.314 4.828 9.221 406 HB THR 54 HB THR 54 0.721 2.064 8.067 407 HG1 THR 54 1HG THR 54 -0.019 2.234 10.097 408 1HG2 THR 54 1HG2 THR 54 2.970 2.668 7.433 409 2HG2 THR 54 2HG2 THR 54 3.315 3.297 9.066 410 3HG2 THR 54 3HG2 THR 54 3.048 1.565 8.803 411 H LEU 55 H LEU 55 0.135 3.314 6.172 412 HA LEU 55 HA LEU 55 2.431 4.043 4.679 413 1HB LEU 55 2HB LEU 55 1.298 3.213 2.802 414 2HB LEU 55 3HB LEU 55 1.176 2.167 4.188 415 HG LEU 55 HG LEU 55 -1.179 3.373 4.471 416 1HD1 LEU 55 1HD1 LEU 55 -0.668 4.915 2.622 417 2HD1 LEU 55 2HD1 LEU 55 -0.499 3.528 1.543 418 3HD1 LEU 55 3HD1 LEU 55 -2.101 3.915 2.253 419 1HD2 LEU 55 1HD2 LEU 55 -2.152 1.508 3.183 420 2HD2 LEU 55 2HD2 LEU 55 -0.575 1.225 2.403 421 3HD2 LEU 55 3HD2 LEU 55 -0.767 0.957 4.147 422 H LYS 56 H LYS 56 -0.614 5.692 5.150 423 HA LYS 56 HA LYS 56 -0.617 7.801 3.533 424 1HB LYS 56 2HB LYS 56 -1.946 7.354 5.808 425 2HB LYS 56 3HB LYS 56 -0.740 8.425 6.509 426 1HG LYS 56 2HG LYS 56 -1.429 10.097 4.694 427 2HG LYS 56 3HG LYS 56 -2.701 8.912 4.264 428 1HD LYS 56 2HD LYS 56 -3.508 8.982 6.649 429 2HD LYS 56 3HD LYS 56 -2.354 10.271 6.991 430 1HE LYS 56 2HE LYS 56 -4.680 10.360 4.991 431 2HE LYS 56 3HE LYS 56 -4.649 11.132 6.581 432 1HZ LYS 56 1HZ LYS 56 -2.832 12.512 5.807 433 2HZ LYS 56 2HZ LYS 56 -2.892 11.811 4.316 434 3HZ LYS 56 3HZ LYS 56 -4.163 12.696 4.860 435 H LYS 57 H LYS 57 1.753 7.371 6.172 436 HA LYS 57 HA LYS 57 2.728 10.034 6.253 437 1HB LYS 57 2HB LYS 57 4.047 7.411 7.012 438 2HB LYS 57 3HB LYS 57 4.675 9.021 7.435 439 1HG LYS 57 2HG LYS 57 2.471 9.495 8.577 440 2HG LYS 57 3HG LYS 57 2.006 7.817 8.282 441 1HD LYS 57 2HD LYS 57 4.379 8.766 9.947 442 2HD LYS 57 3HD LYS 57 2.829 8.155 10.555 443 1HE LYS 57 2HE LYS 57 3.317 5.979 9.278 444 2HE LYS 57 3HE LYS 57 4.954 6.590 9.006 445 1HZ LYS 57 1HZ LYS 57 4.839 5.168 10.915 446 2HZ LYS 57 2HZ LYS 57 5.225 6.689 11.402 447 3HZ LYS 57 3HZ LYS 57 3.701 6.108 11.631 448 H THR 58 H THR 58 3.249 7.649 3.769 449 HA THR 58 HA THR 58 5.745 8.619 2.737 450 HB THR 58 HB THR 58 4.862 7.778 0.557 451 HG1 THR 58 1HG THR 58 2.543 6.987 1.960 452 1HG2 THR 58 1HG2 THR 58 5.959 6.211 2.033 453 2HG2 THR 58 2HG2 THR 58 4.460 5.962 2.943 454 3HG2 THR 58 3HG2 THR 58 4.571 5.420 1.252 455 H GLY 59 H GLY 59 2.406 9.788 2.549 456 1HA GLY 59 2HA GLY 59 1.520 11.783 1.981 457 2HA GLY 59 3HA GLY 59 3.148 12.463 1.819 458 H LYS 60 H LYS 60 2.511 9.595 -0.113 459 HA LYS 60 HA LYS 60 2.490 11.260 -2.585 460 1HB LYS 60 2HB LYS 60 3.122 8.371 -1.914 461 2HB LYS 60 3HB LYS 60 2.762 8.860 -3.565 462 1HG LYS 60 2HG LYS 60 5.159 8.799 -3.097 463 2HG LYS 60 3HG LYS 60 4.627 10.407 -3.641 464 1HD LYS 60 2HD LYS 60 4.668 11.206 -1.309 465 2HD LYS 60 3HD LYS 60 5.047 9.552 -0.766 466 1HE LYS 60 2HE LYS 60 7.246 9.813 -2.071 467 2HE LYS 60 3HE LYS 60 6.776 11.507 -2.314 468 1HZ LYS 60 1HZ LYS 60 6.447 11.267 0.308 469 2HZ LYS 60 2HZ LYS 60 7.630 10.171 0.111 470 3HZ LYS 60 3HZ LYS 60 7.897 11.722 -0.368 471 H THR 61 H THR 61 1.091 10.372 -4.393 472 HA THR 61 HA THR 61 -1.621 10.324 -3.733 473 HB THR 61 HB THR 61 -0.293 9.425 -6.280 474 HG1 THR 61 1HG THR 61 -0.487 12.114 -5.418 475 1HG2 THR 61 1HG2 THR 61 -2.774 9.576 -6.288 476 2HG2 THR 61 2HG2 THR 61 -2.667 11.270 -5.752 477 3HG2 THR 61 3HG2 THR 61 -2.051 10.798 -7.354 478 H VAL 62 H VAL 62 -1.004 8.401 -2.188 479 HA VAL 62 HA VAL 62 -1.961 5.856 -3.416 480 HB VAL 62 HB VAL 62 -0.169 5.307 -2.086 481 1HG1 VAL 62 1HG1 VAL 62 0.281 7.298 -0.797 482 2HG1 VAL 62 2HG1 VAL 62 -1.206 7.083 0.156 483 3HG1 VAL 62 3HG1 VAL 62 0.124 5.920 0.291 484 1HG2 VAL 62 1HG2 VAL 62 -2.439 4.879 -0.131 485 2HG2 VAL 62 2HG2 VAL 62 -2.432 4.086 -1.712 486 3HG2 VAL 62 3HG2 VAL 62 -1.108 3.788 -0.582 487 H SER 63 H SER 63 -4.058 5.836 -3.658 488 HA SER 63 HA SER 63 -5.845 7.043 -1.585 489 1HB SER 63 2HB SER 63 -6.140 7.928 -3.901 490 2HB SER 63 3HB SER 63 -6.473 6.275 -4.464 491 HG SER 63 HG SER 63 -8.396 7.452 -3.923 492 H TYR 64 H TYR 64 -7.657 5.663 -1.015 493 HA TYR 64 HA TYR 64 -6.983 2.748 -1.040 494 1HB TYR 64 2HB TYR 64 -6.805 3.663 1.188 495 2HB TYR 64 3HB TYR 64 -8.333 4.518 1.013 496 HD1 TYR 64 HD1 TYR 64 -10.121 3.597 2.191 497 HD2 TYR 64 HD2 TYR 64 -7.165 0.953 0.492 498 HE1 TYR 64 HE1 TYR 64 -11.458 1.644 2.889 499 HE2 TYR 64 HE2 TYR 64 -8.585 -0.984 1.063 500 HH TYR 64 HH TYR 64 -11.520 -0.638 3.053 501 H LEU 65 H LEU 65 -8.443 1.462 -2.098 502 HA LEU 65 HA LEU 65 -11.262 2.210 -2.249 503 1HB LEU 65 2HB LEU 65 -11.175 1.870 -4.785 504 2HB LEU 65 3HB LEU 65 -10.872 3.436 -4.061 505 HG LEU 65 HG LEU 65 -9.458 2.941 -5.938 506 1HD1 LEU 65 1HD1 LEU 65 -7.585 3.232 -3.680 507 2HD1 LEU 65 2HD1 LEU 65 -7.591 4.013 -5.261 508 3HD1 LEU 65 3HD1 LEU 65 -8.794 4.483 -4.051 509 1HD2 LEU 65 1HD2 LEU 65 -8.075 0.793 -4.349 510 2HD2 LEU 65 2HD2 LEU 65 -9.103 0.562 -5.782 511 3HD2 LEU 65 3HD2 LEU 65 -7.584 1.432 -5.929 512 H GLY 66 H GLY 66 -11.115 0.171 -0.882 513 1HA GLY 66 2HA GLY 66 -12.850 -1.500 -1.953 514 2HA GLY 66 3HA GLY 66 -11.386 -2.239 -2.602 515 H LEU 67 H LEU 67 -13.485 -2.235 0.018 516 HA LEU 67 HA LEU 67 -11.649 -3.699 1.809 517 1HB LEU 67 2HB LEU 67 -12.995 -2.226 3.122 518 2HB LEU 67 3HB LEU 67 -14.364 -2.355 2.015 519 HG LEU 67 HG LEU 67 -14.779 -4.632 2.693 520 1HD1 LEU 67 1HD1 LEU 67 -13.717 -5.564 4.747 521 2HD1 LEU 67 2HD1 LEU 67 -12.474 -5.276 3.525 522 3HD1 LEU 67 3HD1 LEU 67 -12.668 -4.138 4.867 523 1HD2 LEU 67 1HD2 LEU 67 -15.728 -4.104 4.906 524 2HD2 LEU 67 2HD2 LEU 67 -14.717 -2.648 4.998 525 3HD2 LEU 67 3HD2 LEU 67 -15.977 -2.782 3.753 526 H GLU 68 H GLU 68 -11.840 -5.986 1.555 527 HA GLU 68 HA GLU 68 -13.962 -7.175 -0.085 528 1HB GLU 68 2HB GLU 68 -12.292 -6.103 -1.615 529 2HB GLU 68 3HB GLU 68 -11.008 -6.895 -0.714 530 1HG GLU 68 2HG GLU 68 -11.902 -9.112 -1.550 531 2HG GLU 68 3HG GLU 68 -13.043 -8.203 -2.566 Start of MODEL 7 1 1H MET 1 H1 MET 1 -6.859 -10.669 7.039 2 2H MET 1 H2 MET 1 -7.431 -11.182 8.498 3 3H MET 1 H3 MET 1 -8.114 -11.690 7.051 4 HA MET 1 HA MET 1 -9.494 -9.973 8.077 5 1HB MET 1 2HB MET 1 -6.868 -8.840 8.333 6 2HB MET 1 3HB MET 1 -7.772 -7.728 7.342 7 1HG MET 1 2HG MET 1 -7.917 -7.154 9.710 8 2HG MET 1 3HG MET 1 -9.525 -7.696 9.207 9 1HE MET 1 1HE MET 1 -9.295 -8.838 12.949 10 2HE MET 1 2HE MET 1 -8.587 -7.365 12.243 11 3HE MET 1 3HE MET 1 -10.223 -7.892 11.758 12 HA PRO 2 HA PRO 2 -10.599 -9.408 3.873 13 1HB PRO 2 2HB PRO 2 -11.453 -6.882 3.318 14 2HB PRO 2 3HB PRO 2 -12.330 -7.989 4.411 15 1HG PRO 2 2HG PRO 2 -10.371 -5.810 5.179 16 2HG PRO 2 3HG PRO 2 -11.998 -6.103 5.864 17 1HD PRO 2 2HD PRO 2 -9.761 -6.981 7.062 18 2HD PRO 2 3HD PRO 2 -11.224 -8.008 7.068 19 H LYS 3 H LYS 3 -9.833 -8.973 1.806 20 HA LYS 3 HA LYS 3 -7.076 -7.895 1.608 21 1HB LYS 3 2HB LYS 3 -7.573 -9.984 0.430 22 2HB LYS 3 3HB LYS 3 -8.948 -9.217 -0.361 23 1HG LYS 3 2HG LYS 3 -7.070 -7.502 -1.290 24 2HG LYS 3 3HG LYS 3 -5.966 -8.761 -0.785 25 1HD LYS 3 2HD LYS 3 -6.595 -8.818 -3.198 26 2HD LYS 3 3HD LYS 3 -6.949 -10.327 -2.353 27 1HE LYS 3 2HE LYS 3 -8.715 -9.522 -3.992 28 2HE LYS 3 3HE LYS 3 -9.309 -9.937 -2.393 29 1HZ LYS 3 1HZ LYS 3 -10.284 -8.011 -3.173 30 2HZ LYS 3 2HZ LYS 3 -9.345 -7.499 -1.911 31 3HZ LYS 3 3HZ LYS 3 -8.905 -7.237 -3.512 32 H HIS 4 H HIS 4 -7.140 -5.695 1.646 33 HA HIS 4 HA HIS 4 -9.230 -4.239 0.156 34 1HB HIS 4 2HB HIS 4 -8.348 -2.248 1.365 35 2HB HIS 4 3HB HIS 4 -9.248 -3.425 2.316 36 HD1 HIS 4 1HD HIS 4 -5.771 -4.688 2.036 37 HD2 HIS 4 2HD HIS 4 -7.934 -1.899 4.322 38 HE1 HIS 4 1HE HIS 4 -4.505 -4.391 4.203 39 H GLU 5 H GLU 5 -8.722 -2.388 -1.049 40 HA GLU 5 HA GLU 5 -6.268 -2.856 -2.691 41 1HB GLU 5 2HB GLU 5 -9.173 -2.483 -3.524 42 2HB GLU 5 3HB GLU 5 -7.801 -2.498 -4.629 43 1HG GLU 5 2HG GLU 5 -7.208 -4.772 -3.457 44 2HG GLU 5 3HG GLU 5 -8.847 -4.711 -2.784 45 H PHE 6 H PHE 6 -5.394 -1.128 -3.799 46 HA PHE 6 HA PHE 6 -6.311 1.567 -2.997 47 1HB PHE 6 2HB PHE 6 -3.474 0.522 -2.591 48 2HB PHE 6 3HB PHE 6 -4.092 2.080 -2.084 49 HD1 PHE 6 1HD PHE 6 -4.470 -1.629 -1.494 50 HD2 PHE 6 2HD PHE 6 -4.667 2.326 0.280 51 HE1 PHE 6 1HE PHE 6 -4.820 -2.618 0.718 52 HE2 PHE 6 2HE PHE 6 -4.732 1.291 2.469 53 HZ PHE 6 HZ PHE 6 -4.926 -1.163 2.739 54 H SER 7 H SER 7 -5.816 3.126 -4.508 55 HA SER 7 HA SER 7 -4.401 2.270 -6.981 56 1HB SER 7 2HB SER 7 -6.576 3.506 -7.186 57 2HB SER 7 3HB SER 7 -5.794 4.931 -6.443 58 HG SER 7 HG SER 7 -4.694 5.234 -8.281 59 H VAL 8 H VAL 8 -2.175 2.689 -7.051 60 HA VAL 8 HA VAL 8 -1.048 4.623 -5.069 61 HB VAL 8 HB VAL 8 0.072 1.950 -6.095 62 1HG1 VAL 8 1HG1 VAL 8 1.767 2.378 -4.302 63 2HG1 VAL 8 2HG1 VAL 8 1.808 3.614 -5.562 64 3HG1 VAL 8 3HG1 VAL 8 1.034 3.981 -4.013 65 1HG2 VAL 8 1HG2 VAL 8 -0.230 1.416 -3.548 66 2HG2 VAL 8 2HG2 VAL 8 -1.216 2.864 -3.446 67 3HG2 VAL 8 3HG2 VAL 8 -1.749 1.527 -4.476 68 H ASP 9 H ASP 9 -1.260 6.224 -6.766 69 HA ASP 9 HA ASP 9 -0.355 5.540 -9.417 70 1HB ASP 9 2HB ASP 9 -1.776 7.796 -8.015 71 2HB ASP 9 3HB ASP 9 -1.220 7.965 -9.641 72 H MET 10 H MET 10 1.704 5.038 -8.463 73 HA MET 10 HA MET 10 3.514 7.115 -7.635 74 1HB MET 10 2HB MET 10 4.947 5.241 -7.094 75 2HB MET 10 3HB MET 10 3.301 4.860 -6.643 76 1HG MET 10 2HG MET 10 3.891 2.895 -7.692 77 2HG MET 10 3HG MET 10 3.264 3.780 -9.073 78 1HE MET 10 1HE MET 10 4.602 1.763 -10.335 79 2HE MET 10 2HE MET 10 4.619 3.281 -11.271 80 3HE MET 10 3HE MET 10 6.099 2.315 -11.139 81 H THR 11 H THR 11 5.097 8.127 -8.834 82 HA THR 11 HA THR 11 4.862 7.975 -11.634 83 HB THR 11 HB THR 11 7.089 9.509 -10.324 84 HG1 THR 11 1HG THR 11 5.421 10.979 -9.564 85 1HG2 THR 11 1HG2 THR 11 4.817 10.295 -12.212 86 2HG2 THR 11 2HG2 THR 11 6.207 11.304 -11.761 87 3HG2 THR 11 3HG2 THR 11 6.457 9.835 -12.722 88 H CYS 12 H CYS 12 7.357 6.723 -9.405 89 HA CYS 12 HA CYS 12 9.045 5.810 -11.707 90 1HB CYS 12 2HB CYS 12 10.037 7.895 -10.861 91 2HB CYS 12 3HB CYS 12 9.880 7.322 -9.184 92 HG CYS 12 HG CYS 12 12.369 7.206 -9.830 93 H GLY 13 H GLY 13 10.159 3.838 -11.224 94 1HA GLY 13 2HA GLY 13 9.106 1.852 -9.680 95 2HA GLY 13 3HA GLY 13 10.838 1.999 -10.016 96 H GLY 14 H GLY 14 11.664 4.154 -8.530 97 1HA GLY 14 2HA GLY 14 11.810 2.996 -5.981 98 2HA GLY 14 3HA GLY 14 12.358 4.647 -6.366 99 H CYS 15 H CYS 15 9.413 5.202 -7.237 100 HA CYS 15 HA CYS 15 8.426 6.170 -4.706 101 1HB CYS 15 2HB CYS 15 7.965 7.306 -6.821 102 2HB CYS 15 3HB CYS 15 6.936 5.958 -7.313 103 HG CYS 15 HG CYS 15 5.455 6.047 -5.082 104 H ALA 16 H ALA 16 8.012 3.213 -6.663 105 HA ALA 16 HA ALA 16 5.846 2.094 -5.021 106 1HB ALA 16 1HB ALA 16 6.213 1.376 -7.353 107 2HB ALA 16 2HB ALA 16 7.787 0.685 -6.890 108 3HB ALA 16 3HB ALA 16 6.298 0.044 -6.188 109 H GLU 17 H GLU 17 9.409 1.618 -5.361 110 HA GLU 17 HA GLU 17 9.771 -0.207 -3.293 111 1HB GLU 17 2HB GLU 17 11.624 2.118 -3.945 112 2HB GLU 17 3HB GLU 17 12.045 0.679 -3.029 113 1HG GLU 17 2HG GLU 17 11.723 -0.776 -4.924 114 2HG GLU 17 3HG GLU 17 11.122 0.559 -5.916 115 H ALA 18 H ALA 18 9.472 3.350 -3.009 116 HA ALA 18 HA ALA 18 9.927 3.644 -0.255 117 1HB ALA 18 1HB ALA 18 9.571 5.529 -1.811 118 2HB ALA 18 2HB ALA 18 7.850 5.103 -1.933 119 3HB ALA 18 3HB ALA 18 8.518 5.637 -0.384 120 H VAL 19 H VAL 19 6.845 2.887 -1.917 121 HA VAL 19 HA VAL 19 5.203 2.669 0.398 122 HB VAL 19 HB VAL 19 4.934 1.538 -2.409 123 1HG1 VAL 19 1HG1 VAL 19 2.885 1.508 -0.170 124 2HG1 VAL 19 2HG1 VAL 19 2.565 1.154 -1.881 125 3HG1 VAL 19 3HG1 VAL 19 3.618 0.086 -0.957 126 1HG2 VAL 19 1HG2 VAL 19 3.300 3.348 -2.653 127 2HG2 VAL 19 2HG2 VAL 19 3.569 3.855 -0.976 128 3HG2 VAL 19 3HG2 VAL 19 4.860 4.022 -2.177 129 H SER 20 H SER 20 6.796 0.100 -1.628 130 HA SER 20 HA SER 20 6.133 -2.094 -0.100 131 1HB SER 20 2HB SER 20 8.884 -1.683 -1.351 132 2HB SER 20 3HB SER 20 7.957 -3.192 -1.195 133 HG SER 20 HG SER 20 7.832 -2.205 -3.308 134 H ARG 21 H ARG 21 9.045 -0.020 0.351 135 HA ARG 21 HA ARG 21 10.143 -1.380 2.530 136 1HB ARG 21 2HB ARG 21 10.291 1.497 1.605 137 2HB ARG 21 3HB ARG 21 11.286 0.861 2.934 138 1HG ARG 21 2HG ARG 21 12.323 -0.773 1.523 139 2HG ARG 21 3HG ARG 21 11.207 -0.520 0.213 140 1HD ARG 21 2HD ARG 21 13.291 0.460 -0.377 141 2HD ARG 21 3HD ARG 21 12.100 1.727 -0.241 142 HE ARG 21 HE ARG 21 14.458 1.163 1.464 143 1HH1 ARG 21 2HH2 ARG 21 11.540 3.101 1.150 144 2HH1 ARG 21 1HH2 ARG 21 12.135 4.465 2.049 145 1HH2 ARG 21 2HH1 ARG 21 15.299 2.938 2.672 146 2HH2 ARG 21 1HH1 ARG 21 14.324 4.339 2.970 147 H VAL 22 H VAL 22 7.840 1.552 2.718 148 HA VAL 22 HA VAL 22 7.885 1.455 5.509 149 HB VAL 22 HB VAL 22 7.302 3.430 4.319 150 1HG1 VAL 22 1HG1 VAL 22 5.029 3.692 3.332 151 2HG1 VAL 22 2HG1 VAL 22 6.071 2.596 2.422 152 3HG1 VAL 22 3HG1 VAL 22 4.797 1.941 3.470 153 1HG2 VAL 22 1HG2 VAL 22 6.443 2.969 6.597 154 2HG2 VAL 22 2HG2 VAL 22 5.392 4.066 5.654 155 3HG2 VAL 22 3HG2 VAL 22 4.938 2.355 5.847 156 H LEU 23 H LEU 23 5.646 -0.180 3.123 157 HA LEU 23 HA LEU 23 3.987 -1.256 5.132 158 1HB LEU 23 2HB LEU 23 4.593 -2.027 2.271 159 2HB LEU 23 3HB LEU 23 3.728 -3.150 3.303 160 HG LEU 23 HG LEU 23 2.168 -1.927 1.992 161 1HD1 LEU 23 1HD1 LEU 23 0.623 -1.276 3.749 162 2HD1 LEU 23 2HD1 LEU 23 1.517 -2.722 4.259 163 3HD1 LEU 23 3HD1 LEU 23 1.918 -1.119 4.923 164 1HD2 LEU 23 1HD2 LEU 23 1.747 0.435 2.346 165 2HD2 LEU 23 2HD2 LEU 23 3.080 0.508 3.524 166 3HD2 LEU 23 3HD2 LEU 23 3.411 0.163 1.802 167 H ASN 24 H ASN 24 6.968 -2.769 3.688 168 HA ASN 24 HA ASN 24 6.928 -5.091 5.293 169 1HB ASN 24 2HB ASN 24 9.178 -3.381 4.142 170 2HB ASN 24 3HB ASN 24 9.456 -4.838 5.071 171 1HD2 ASN 24 1HD2 ASN 24 8.571 -3.624 1.964 172 2HD2 ASN 24 2HD2 ASN 24 8.426 -5.203 1.186 173 H LYS 25 H LYS 25 8.310 -1.850 5.931 174 HA LYS 25 HA LYS 25 9.425 -2.382 8.454 175 1HB LYS 25 2HB LYS 25 8.392 0.103 7.056 176 2HB LYS 25 3HB LYS 25 8.866 0.214 8.745 177 1HG LYS 25 2HG LYS 25 10.713 -0.974 6.639 178 2HG LYS 25 3HG LYS 25 10.652 0.763 6.983 179 1HD LYS 25 2HD LYS 25 11.196 0.371 9.352 180 2HD LYS 25 3HD LYS 25 11.244 -1.378 9.087 181 1HE LYS 25 2HE LYS 25 13.110 -1.075 7.452 182 2HE LYS 25 3HE LYS 25 13.098 0.667 7.782 183 1HZ LYS 25 1HZ LYS 25 14.772 -0.472 9.058 184 2HZ LYS 25 2HZ LYS 25 13.648 0.163 10.073 185 3HZ LYS 25 3HZ LYS 25 13.657 -1.452 9.758 186 H LEU 26 H LEU 26 6.084 -1.456 7.645 187 HA LEU 26 HA LEU 26 5.124 -1.041 10.211 188 1HB LEU 26 2HB LEU 26 3.922 -0.922 7.988 189 2HB LEU 26 3HB LEU 26 3.611 -2.636 8.082 190 HG LEU 26 HG LEU 26 1.802 -0.968 8.759 191 1HD1 LEU 26 1HD1 LEU 26 1.657 -3.419 9.122 192 2HD1 LEU 26 2HD1 LEU 26 2.369 -3.194 10.734 193 3HD1 LEU 26 3HD1 LEU 26 0.803 -2.465 10.350 194 1HD2 LEU 26 1HD2 LEU 26 3.226 0.389 10.351 195 2HD2 LEU 26 2HD2 LEU 26 1.695 -0.182 11.030 196 3HD2 LEU 26 3HD2 LEU 26 3.202 -0.993 11.465 197 H GLY 27 H GLY 27 5.702 -4.150 8.546 198 1HA GLY 27 2HA GLY 27 6.686 -5.532 10.555 199 2HA GLY 27 3HA GLY 27 4.976 -5.556 11.030 200 H GLY 28 H GLY 28 3.458 -6.844 9.908 201 1HA GLY 28 2HA GLY 28 4.710 -9.135 8.412 202 2HA GLY 28 3HA GLY 28 3.642 -9.301 9.817 203 H VAL 29 H VAL 29 3.767 -7.527 6.731 204 HA VAL 29 HA VAL 29 0.844 -7.925 6.375 205 HB VAL 29 HB VAL 29 1.302 -5.661 6.970 206 1HG1 VAL 29 1HG1 VAL 29 3.617 -5.371 6.631 207 2HG1 VAL 29 2HG1 VAL 29 3.510 -5.701 4.901 208 3HG1 VAL 29 3HG1 VAL 29 2.791 -4.225 5.566 209 1HG2 VAL 29 1HG2 VAL 29 -0.325 -6.136 5.147 210 2HG2 VAL 29 2HG2 VAL 29 0.365 -4.508 5.143 211 3HG2 VAL 29 3HG2 VAL 29 0.951 -5.708 3.971 212 H LYS 30 H LYS 30 0.140 -8.863 4.386 213 HA LYS 30 HA LYS 30 2.280 -9.176 2.366 214 1HB LYS 30 2HB LYS 30 0.699 -11.134 3.015 215 2HB LYS 30 3HB LYS 30 -0.421 -10.330 1.911 216 1HG LYS 30 2HG LYS 30 2.314 -11.511 1.383 217 2HG LYS 30 3HG LYS 30 0.788 -11.910 0.586 218 1HD LYS 30 2HD LYS 30 0.873 -9.652 -0.601 219 2HD LYS 30 3HD LYS 30 2.369 -9.319 0.270 220 1HE LYS 30 2HE LYS 30 3.331 -9.878 -1.585 221 2HE LYS 30 3HE LYS 30 3.337 -11.441 -0.769 222 1HZ LYS 30 1HZ LYS 30 1.627 -10.511 -3.010 223 2HZ LYS 30 2HZ LYS 30 2.625 -11.748 -2.995 224 3HZ LYS 30 3HZ LYS 30 1.222 -11.859 -2.135 225 H TYR 31 H TYR 31 2.427 -7.246 1.557 226 HA TYR 31 HA TYR 31 0.125 -5.825 0.294 227 1HB TYR 31 2HB TYR 31 1.762 -4.034 -0.150 228 2HB TYR 31 3HB TYR 31 1.601 -4.350 1.575 229 HD1 TYR 31 HD1 TYR 31 3.370 -5.558 2.797 230 HD2 TYR 31 HD2 TYR 31 3.828 -4.638 -1.352 231 HE1 TYR 31 HE1 TYR 31 5.656 -6.495 2.866 232 HE2 TYR 31 HE2 TYR 31 6.139 -5.539 -1.307 233 HH TYR 31 HH TYR 31 7.545 -6.978 1.656 234 H ASP 32 H ASP 32 0.045 -5.781 -1.993 235 HA ASP 32 HA ASP 32 2.372 -6.869 -3.426 236 1HB ASP 32 2HB ASP 32 0.283 -8.564 -3.088 237 2HB ASP 32 3HB ASP 32 -0.335 -7.656 -4.476 238 H ILE 33 H ILE 33 2.392 -6.140 -5.648 239 HA ILE 33 HA ILE 33 1.218 -3.377 -5.835 240 HB ILE 33 HB ILE 33 4.193 -3.955 -6.012 241 1HG1 ILE 33 2HG1 ILE 33 3.447 -2.027 -3.941 242 2HG1 ILE 33 3HG1 ILE 33 2.753 -3.602 -3.583 243 1HG2 ILE 33 1HG2 ILE 33 2.645 -1.352 -6.172 244 2HG2 ILE 33 2HG2 ILE 33 4.413 -1.506 -6.089 245 3HG2 ILE 33 3HG2 ILE 33 3.542 -2.141 -7.487 246 1HD1 ILE 33 1HD1 ILE 33 5.050 -3.276 -2.668 247 2HD1 ILE 33 2HD1 ILE 33 4.903 -4.691 -3.735 248 3HD1 ILE 33 3HD1 ILE 33 5.671 -3.194 -4.324 249 H ASP 34 H ASP 34 0.211 -3.377 -7.742 250 HA ASP 34 HA ASP 34 1.424 -4.613 -10.146 251 1HB ASP 34 2HB ASP 34 -1.018 -4.672 -9.929 252 2HB ASP 34 3HB ASP 34 -1.064 -2.904 -9.821 253 H LEU 35 H LEU 35 3.233 -3.558 -10.605 254 HA LEU 35 HA LEU 35 3.692 -0.788 -10.062 255 1HB LEU 35 2HB LEU 35 5.398 -2.676 -10.047 256 2HB LEU 35 3HB LEU 35 5.337 -2.656 -11.807 257 HG LEU 35 HG LEU 35 5.954 -0.124 -11.598 258 1HD1 LEU 35 1HD1 LEU 35 6.892 -1.136 -8.865 259 2HD1 LEU 35 2HD1 LEU 35 7.199 0.465 -9.556 260 3HD1 LEU 35 3HD1 LEU 35 5.552 -0.005 -9.103 261 1HD2 LEU 35 1HD2 LEU 35 7.949 -2.289 -10.816 262 2HD2 LEU 35 2HD2 LEU 35 7.494 -1.824 -12.471 263 3HD2 LEU 35 3HD2 LEU 35 8.357 -0.674 -11.434 264 HA PRO 36 HA PRO 36 3.482 -0.174 -14.843 265 1HB PRO 36 2HB PRO 36 1.689 -1.768 -16.266 266 2HB PRO 36 3HB PRO 36 3.454 -2.007 -16.192 267 1HG PRO 36 2HG PRO 36 1.328 -3.379 -14.560 268 2HG PRO 36 3HG PRO 36 2.748 -4.106 -15.356 269 1HD PRO 36 2HD PRO 36 2.768 -3.589 -12.749 270 2HD PRO 36 3HD PRO 36 4.225 -3.240 -13.717 271 H ASN 37 H ASN 37 0.477 -1.604 -13.385 272 HA ASN 37 HA ASN 37 -1.124 0.607 -14.463 273 1HB ASN 37 2HB ASN 37 -1.978 -1.690 -12.676 274 2HB ASN 37 3HB ASN 37 -3.018 -0.519 -13.460 275 1HD2 ASN 37 1HD2 ASN 37 -1.536 -3.585 -13.877 276 2HD2 ASN 37 2HD2 ASN 37 -1.768 -3.707 -15.620 277 H LYS 38 H LYS 38 0.427 -0.220 -11.295 278 HA LYS 38 HA LYS 38 1.123 1.270 -9.809 279 1HB LYS 38 2HB LYS 38 -0.573 3.449 -11.120 280 2HB LYS 38 3HB LYS 38 0.667 3.593 -9.917 281 1HG LYS 38 2HG LYS 38 2.404 2.902 -11.391 282 2HG LYS 38 3HG LYS 38 1.257 2.367 -12.606 283 1HD LYS 38 2HD LYS 38 0.439 4.759 -12.839 284 2HD LYS 38 3HD LYS 38 1.729 5.239 -11.737 285 1HE LYS 38 2HE LYS 38 2.508 5.594 -14.005 286 2HE LYS 38 3HE LYS 38 3.425 4.256 -13.304 287 1HZ LYS 38 1HZ LYS 38 2.710 3.754 -15.536 288 2HZ LYS 38 2HZ LYS 38 1.937 2.724 -14.525 289 3HZ LYS 38 3HZ LYS 38 1.131 3.996 -15.153 290 H LYS 39 H LYS 39 -0.526 -0.577 -9.152 291 HA LYS 39 HA LYS 39 -2.556 0.682 -7.405 292 1HB LYS 39 2HB LYS 39 -2.984 -1.558 -9.435 293 2HB LYS 39 3HB LYS 39 -3.854 -1.587 -7.911 294 1HG LYS 39 2HG LYS 39 -5.300 -0.696 -9.501 295 2HG LYS 39 3HG LYS 39 -4.894 0.574 -8.368 296 1HD LYS 39 2HD LYS 39 -3.076 0.602 -10.649 297 2HD LYS 39 3HD LYS 39 -4.729 0.580 -11.249 298 1HE LYS 39 2HE LYS 39 -5.329 2.599 -10.071 299 2HE LYS 39 3HE LYS 39 -3.877 2.507 -9.079 300 1HZ LYS 39 1HZ LYS 39 -3.346 4.146 -10.530 301 2HZ LYS 39 2HZ LYS 39 -2.631 2.835 -11.224 302 3HZ LYS 39 3HZ LYS 39 -4.038 3.409 -11.827 303 H VAL 40 H VAL 40 -2.857 -0.648 -5.369 304 HA VAL 40 HA VAL 40 -0.987 -2.891 -5.069 305 HB VAL 40 HB VAL 40 -1.522 -0.410 -3.441 306 1HG1 VAL 40 1HG1 VAL 40 -0.628 -1.404 -1.414 307 2HG1 VAL 40 2HG1 VAL 40 -2.222 -1.984 -1.914 308 3HG1 VAL 40 3HG1 VAL 40 -0.782 -3.019 -2.152 309 1HG2 VAL 40 1HG2 VAL 40 0.933 -0.514 -3.102 310 2HG2 VAL 40 2HG2 VAL 40 0.972 -2.071 -3.940 311 3HG2 VAL 40 3HG2 VAL 40 0.512 -0.601 -4.832 312 H CYS 41 H CYS 41 -1.769 -4.519 -3.741 313 HA CYS 41 HA CYS 41 -4.535 -4.274 -2.662 314 1HB CYS 41 2HB CYS 41 -3.358 -6.791 -3.928 315 2HB CYS 41 3HB CYS 41 -4.895 -6.679 -3.030 316 HG CYS 41 HG CYS 41 -4.084 -4.984 -5.721 317 H ILE 42 H ILE 42 -4.596 -5.091 -0.479 318 HA ILE 42 HA ILE 42 -2.093 -6.295 0.537 319 HB ILE 42 HB ILE 42 -3.463 -4.022 2.016 320 1HG1 ILE 42 2HG1 ILE 42 -0.930 -3.828 0.364 321 2HG1 ILE 42 3HG1 ILE 42 -2.490 -3.068 0.013 322 1HG2 ILE 42 1HG2 ILE 42 -0.807 -5.442 2.433 323 2HG2 ILE 42 2HG2 ILE 42 -1.389 -4.094 3.403 324 3HG2 ILE 42 3HG2 ILE 42 -2.242 -5.625 3.456 325 1HD1 ILE 42 1HD1 ILE 42 -0.570 -2.412 2.234 326 2HD1 ILE 42 2HD1 ILE 42 -1.178 -1.362 0.953 327 3HD1 ILE 42 3HD1 ILE 42 -2.265 -1.866 2.262 328 H GLU 43 H GLU 43 -2.416 -7.782 2.163 329 HA GLU 43 HA GLU 43 -4.967 -7.728 3.624 330 1HB GLU 43 2HB GLU 43 -5.108 -9.438 1.703 331 2HB GLU 43 3HB GLU 43 -3.892 -10.377 2.587 332 1HG GLU 43 2HG GLU 43 -6.599 -9.474 3.702 333 2HG GLU 43 3HG GLU 43 -6.268 -11.069 3.025 334 H SER 44 H SER 44 -4.445 -7.824 5.775 335 HA SER 44 HA SER 44 -3.056 -9.955 6.698 336 1HB SER 44 2HB SER 44 -0.995 -8.886 6.401 337 2HB SER 44 3HB SER 44 -1.539 -7.362 7.155 338 HG SER 44 HG SER 44 -0.212 -9.008 8.441 339 H GLU 45 H GLU 45 -3.058 -9.894 9.134 340 HA GLU 45 HA GLU 45 -5.614 -9.112 10.197 341 1HB GLU 45 2HB GLU 45 -3.069 -10.033 11.568 342 2HB GLU 45 3HB GLU 45 -4.660 -9.881 12.333 343 1HG GLU 45 2HG GLU 45 -4.104 -11.720 9.948 344 2HG GLU 45 3HG GLU 45 -4.115 -12.208 11.644 345 H HIS 46 H HIS 46 -2.564 -7.439 9.856 346 HA HIS 46 HA HIS 46 -2.728 -5.439 11.856 347 1HB HIS 46 2HB HIS 46 -1.907 -5.258 8.927 348 2HB HIS 46 3HB HIS 46 -1.704 -3.946 10.087 349 HD1 HIS 46 1HD HIS 46 -0.038 -4.594 12.277 350 HD2 HIS 46 2HD HIS 46 0.220 -6.714 8.662 351 HE1 HIS 46 1HE HIS 46 2.322 -5.562 12.150 352 H SER 47 H SER 47 -4.288 -3.904 12.279 353 HA SER 47 HA SER 47 -6.731 -3.946 10.904 354 1HB SER 47 2HB SER 47 -6.311 -3.049 13.260 355 2HB SER 47 3HB SER 47 -5.818 -1.535 12.475 356 HG SER 47 HG SER 47 -8.332 -2.809 12.436 357 H MET 48 H MET 48 -7.751 -2.665 9.525 358 HA MET 48 HA MET 48 -6.433 -2.077 7.160 359 1HB MET 48 2HB MET 48 -9.068 -0.878 8.151 360 2HB MET 48 3HB MET 48 -8.526 -0.975 6.470 361 1HG MET 48 2HG MET 48 -8.492 -3.486 6.678 362 2HG MET 48 3HG MET 48 -9.089 -3.319 8.331 363 1HE MET 48 1HE MET 48 -10.287 -1.484 4.996 364 2HE MET 48 2HE MET 48 -10.021 -3.200 4.570 365 3HE MET 48 3HE MET 48 -11.665 -2.537 4.620 366 H ASP 49 H ASP 49 -7.451 0.117 9.749 367 HA ASP 49 HA ASP 49 -6.055 2.315 8.388 368 1HB ASP 49 2HB ASP 49 -8.290 2.768 9.368 369 2HB ASP 49 3HB ASP 49 -7.492 2.770 10.953 370 H THR 50 H THR 50 -4.991 -0.040 10.556 371 HA THR 50 HA THR 50 -2.869 1.627 11.700 372 HB THR 50 HB THR 50 -2.886 -1.385 11.201 373 HG1 THR 50 1HG THR 50 -3.682 0.206 13.408 374 1HG2 THR 50 1HG2 THR 50 -0.632 -0.481 11.572 375 2HG2 THR 50 2HG2 THR 50 -1.193 0.376 13.025 376 3HG2 THR 50 3HG2 THR 50 -1.183 -1.399 12.982 377 H LEU 51 H LEU 51 -3.340 -0.581 8.891 378 HA LEU 51 HA LEU 51 -0.806 0.016 7.674 379 1HB LEU 51 2HB LEU 51 -3.404 -0.807 6.317 380 2HB LEU 51 3HB LEU 51 -1.794 -0.779 5.575 381 HG LEU 51 HG LEU 51 -2.589 -2.455 8.023 382 1HD1 LEU 51 1HD1 LEU 51 -3.850 -3.238 6.189 383 2HD1 LEU 51 2HD1 LEU 51 -2.463 -3.158 5.078 384 3HD1 LEU 51 3HD1 LEU 51 -2.510 -4.377 6.378 385 1HD2 LEU 51 1HD2 LEU 51 -0.102 -2.457 6.255 386 2HD2 LEU 51 2HD2 LEU 51 -0.183 -2.084 7.989 387 3HD2 LEU 51 3HD2 LEU 51 -0.486 -3.729 7.435 388 H LEU 52 H LEU 52 -4.104 1.336 6.894 389 HA LEU 52 HA LEU 52 -3.128 3.223 5.111 390 1HB LEU 52 2HB LEU 52 -5.636 2.867 6.509 391 2HB LEU 52 3HB LEU 52 -5.309 4.553 6.120 392 HG LEU 52 HG LEU 52 -5.185 2.182 4.267 393 1HD1 LEU 52 1HD1 LEU 52 -7.421 2.330 5.167 394 2HD1 LEU 52 2HD1 LEU 52 -7.508 4.067 4.797 395 3HD1 LEU 52 3HD1 LEU 52 -7.450 2.875 3.482 396 1HD2 LEU 52 1HD2 LEU 52 -5.375 3.811 2.423 397 2HD2 LEU 52 2HD2 LEU 52 -5.561 5.144 3.571 398 3HD2 LEU 52 3HD2 LEU 52 -4.012 4.301 3.432 399 H ALA 53 H ALA 53 -3.743 3.906 8.660 400 HA ALA 53 HA ALA 53 -2.676 6.495 8.731 401 1HB ALA 53 1HB ALA 53 -2.215 6.122 11.076 402 2HB ALA 53 2HB ALA 53 -3.784 5.418 10.654 403 3HB ALA 53 3HB ALA 53 -2.354 4.369 10.868 404 H THR 54 H THR 54 -0.835 3.444 8.831 405 HA THR 54 HA THR 54 1.704 4.749 9.134 406 HB THR 54 HB THR 54 1.015 2.053 7.886 407 HG1 THR 54 1HG THR 54 0.400 2.147 9.996 408 1HG2 THR 54 1HG2 THR 54 3.348 1.495 8.328 409 2HG2 THR 54 2HG2 THR 54 3.233 2.841 7.194 410 3HG2 THR 54 3HG2 THR 54 3.666 3.152 8.894 411 H LEU 55 H LEU 55 0.209 3.367 6.133 412 HA LEU 55 HA LEU 55 2.403 4.273 4.554 413 1HB LEU 55 2HB LEU 55 1.320 3.229 2.779 414 2HB LEU 55 3HB LEU 55 1.273 2.248 4.217 415 HG LEU 55 HG LEU 55 -1.135 3.385 4.459 416 1HD1 LEU 55 1HD1 LEU 55 -0.491 3.300 1.519 417 2HD1 LEU 55 2HD1 LEU 55 -2.106 3.657 2.198 418 3HD1 LEU 55 3HD1 LEU 55 -0.736 4.770 2.465 419 1HD2 LEU 55 1HD2 LEU 55 -0.507 1.115 2.512 420 2HD2 LEU 55 2HD2 LEU 55 -0.581 0.935 4.277 421 3HD2 LEU 55 3HD2 LEU 55 -2.048 1.364 3.363 422 H LYS 56 H LYS 56 -0.767 5.564 5.131 423 HA LYS 56 HA LYS 56 -1.109 7.651 3.406 424 1HB LYS 56 2HB LYS 56 -1.472 7.441 6.404 425 2HB LYS 56 3HB LYS 56 -1.729 8.997 5.678 426 1HG LYS 56 2HG LYS 56 -3.544 8.284 4.321 427 2HG LYS 56 3HG LYS 56 -3.231 6.572 4.658 428 1HD LYS 56 2HD LYS 56 -3.744 6.880 6.999 429 2HD LYS 56 3HD LYS 56 -3.951 8.620 6.819 430 1HE LYS 56 2HE LYS 56 -6.042 8.330 5.715 431 2HE LYS 56 3HE LYS 56 -5.727 6.637 5.337 432 1HZ LYS 56 1HZ LYS 56 -6.043 6.050 7.657 433 2HZ LYS 56 2HZ LYS 56 -6.154 7.619 8.100 434 3HZ LYS 56 3HZ LYS 56 -7.300 6.916 7.168 435 H LYS 57 H LYS 57 1.232 7.576 6.122 436 HA LYS 57 HA LYS 57 2.010 10.305 5.936 437 1HB LYS 57 2HB LYS 57 3.416 7.892 7.110 438 2HB LYS 57 3HB LYS 57 3.956 9.570 7.328 439 1HG LYS 57 2HG LYS 57 1.720 10.110 8.311 440 2HG LYS 57 3HG LYS 57 1.278 8.407 8.179 441 1HD LYS 57 2HD LYS 57 3.712 9.374 9.740 442 2HD LYS 57 3HD LYS 57 2.092 9.241 10.455 443 1HE LYS 57 2HE LYS 57 1.979 6.855 9.896 444 2HE LYS 57 3HE LYS 57 3.588 6.906 9.156 445 1HZ LYS 57 1HZ LYS 57 3.647 6.052 11.377 446 2HZ LYS 57 2HZ LYS 57 4.474 7.471 11.320 447 3HZ LYS 57 3HZ LYS 57 2.969 7.416 11.991 448 H THR 58 H THR 58 2.809 7.754 3.717 449 HA THR 58 HA THR 58 5.365 8.760 2.854 450 HB THR 58 HB THR 58 4.823 7.712 0.696 451 HG1 THR 58 1HG THR 58 2.330 6.980 1.810 452 1HG2 THR 58 1HG2 THR 58 4.542 5.400 1.481 453 2HG2 THR 58 2HG2 THR 58 5.737 6.304 2.435 454 3HG2 THR 58 3HG2 THR 58 4.128 5.994 3.104 455 H GLY 59 H GLY 59 2.006 9.763 2.311 456 1HA GLY 59 2HA GLY 59 1.092 11.613 1.419 457 2HA GLY 59 3HA GLY 59 2.686 12.389 1.470 458 H LYS 60 H LYS 60 2.047 9.399 -0.369 459 HA LYS 60 HA LYS 60 2.387 10.827 -2.975 460 1HB LYS 60 2HB LYS 60 2.717 7.969 -1.989 461 2HB LYS 60 3HB LYS 60 2.537 8.323 -3.703 462 1HG LYS 60 2HG LYS 60 4.906 8.096 -2.892 463 2HG LYS 60 3HG LYS 60 4.533 9.572 -3.815 464 1HD LYS 60 2HD LYS 60 4.470 10.913 -1.834 465 2HD LYS 60 3HD LYS 60 4.533 9.449 -0.814 466 1HE LYS 60 2HE LYS 60 6.832 9.060 -1.414 467 2HE LYS 60 3HE LYS 60 6.806 10.380 -2.601 468 1HZ LYS 60 1HZ LYS 60 7.758 10.962 -0.370 469 2HZ LYS 60 2HZ LYS 60 6.531 11.942 -0.867 470 3HZ LYS 60 3HZ LYS 60 6.232 10.806 0.264 471 H THR 61 H THR 61 0.900 9.772 -4.801 472 HA THR 61 HA THR 61 -1.795 10.064 -4.040 473 HB THR 61 HB THR 61 -0.572 8.902 -6.537 474 HG1 THR 61 1HG THR 61 -0.626 11.640 -5.817 475 1HG2 THR 61 1HG2 THR 61 -2.321 10.273 -7.668 476 2HG2 THR 61 2HG2 THR 61 -3.070 9.175 -6.488 477 3HG2 THR 61 3HG2 THR 61 -2.856 10.896 -6.089 478 H VAL 62 H VAL 62 -1.251 8.247 -2.354 479 HA VAL 62 HA VAL 62 -2.080 5.573 -3.352 480 HB VAL 62 HB VAL 62 -0.160 5.322 -2.144 481 1HG1 VAL 62 1HG1 VAL 62 0.157 5.959 0.220 482 2HG1 VAL 62 2HG1 VAL 62 0.068 7.356 -0.851 483 3HG1 VAL 62 3HG1 VAL 62 -1.324 6.930 0.167 484 1HG2 VAL 62 1HG2 VAL 62 -0.830 3.685 -0.631 485 2HG2 VAL 62 2HG2 VAL 62 -2.276 4.586 -0.113 486 3HG2 VAL 62 3HG2 VAL 62 -2.227 3.818 -1.704 487 H SER 63 H SER 63 -4.192 5.858 -3.754 488 HA SER 63 HA SER 63 -5.995 6.897 -1.595 489 1HB SER 63 2HB SER 63 -6.583 6.243 -4.510 490 2HB SER 63 3HB SER 63 -7.704 6.970 -3.344 491 HG SER 63 HG SER 63 -5.205 8.080 -4.135 492 H TYR 64 H TYR 64 -7.841 5.548 -1.030 493 HA TYR 64 HA TYR 64 -7.310 2.615 -1.138 494 1HB TYR 64 2HB TYR 64 -7.381 3.494 1.074 495 2HB TYR 64 3HB TYR 64 -8.822 4.448 0.737 496 HD1 TYR 64 HD1 TYR 64 -7.576 1.076 1.577 497 HD2 TYR 64 HD2 TYR 64 -11.054 3.439 0.612 498 HE1 TYR 64 HE1 TYR 64 -9.039 -0.575 2.708 499 HE2 TYR 64 HE2 TYR 64 -12.510 1.687 1.557 500 HH TYR 64 HH TYR 64 -12.596 -0.288 2.725 501 H LEU 65 H LEU 65 -8.683 1.354 -2.347 502 HA LEU 65 HA LEU 65 -11.473 2.070 -2.769 503 1HB LEU 65 2HB LEU 65 -11.072 1.595 -5.300 504 2HB LEU 65 3HB LEU 65 -11.013 3.216 -4.618 505 HG LEU 65 HG LEU 65 -9.358 2.865 -6.272 506 1HD1 LEU 65 1HD1 LEU 65 -8.955 4.353 -4.244 507 2HD1 LEU 65 2HD1 LEU 65 -7.703 3.131 -3.873 508 3HD1 LEU 65 3HD1 LEU 65 -7.660 4.035 -5.380 509 1HD2 LEU 65 1HD2 LEU 65 -8.948 0.484 -6.118 510 2HD2 LEU 65 2HD2 LEU 65 -7.452 1.411 -6.138 511 3HD2 LEU 65 3HD2 LEU 65 -8.050 0.736 -4.607 512 H GLY 66 H GLY 66 -11.496 0.094 -1.401 513 1HA GLY 66 2HA GLY 66 -13.002 -1.705 -2.383 514 2HA GLY 66 3HA GLY 66 -11.553 -2.338 -3.170 515 H LEU 67 H LEU 67 -13.228 -3.698 -1.272 516 HA LEU 67 HA LEU 67 -11.219 -4.761 0.468 517 1HB LEU 67 2HB LEU 67 -12.288 -4.489 2.540 518 2HB LEU 67 3HB LEU 67 -12.051 -2.881 1.869 519 HG LEU 67 HG LEU 67 -14.682 -4.442 1.928 520 1HD1 LEU 67 1HD1 LEU 67 -13.799 -2.042 3.564 521 2HD1 LEU 67 2HD1 LEU 67 -15.367 -2.867 3.645 522 3HD1 LEU 67 3HD1 LEU 67 -13.900 -3.719 4.149 523 1HD2 LEU 67 1HD2 LEU 67 -15.699 -2.190 1.368 524 2HD2 LEU 67 2HD2 LEU 67 -14.068 -1.598 0.994 525 3HD2 LEU 67 3HD2 LEU 67 -14.802 -2.908 0.039 526 H GLU 68 H GLU 68 -11.514 -6.995 0.491 527 HA GLU 68 HA GLU 68 -14.217 -8.105 0.178 528 1HB GLU 68 2HB GLU 68 -11.514 -8.609 -1.151 529 2HB GLU 68 3HB GLU 68 -12.669 -9.879 -0.912 530 1HG GLU 68 2HG GLU 68 -14.379 -8.597 -2.232 531 2HG GLU 68 3HG GLU 68 -13.206 -7.286 -2.450 Start of MODEL 8 1 1H MET 1 H1 MET 1 -7.545 -13.529 3.092 2 2H MET 1 H2 MET 1 -7.990 -14.727 4.160 3 3H MET 1 H3 MET 1 -9.112 -13.744 3.403 4 HA MET 1 HA MET 1 -8.759 -13.093 5.728 5 1HB MET 1 2HB MET 1 -6.056 -12.472 4.486 6 2HB MET 1 3HB MET 1 -6.549 -11.753 6.002 7 1HG MET 1 2HG MET 1 -6.774 -14.057 6.962 8 2HG MET 1 3HG MET 1 -6.145 -14.719 5.452 9 1HE MET 1 1HE MET 1 -2.444 -13.431 5.454 10 2HE MET 1 2HE MET 1 -3.708 -14.283 4.538 11 3HE MET 1 3HE MET 1 -3.785 -12.514 4.746 12 HA PRO 2 HA PRO 2 -10.489 -9.437 3.938 13 1HB PRO 2 2HB PRO 2 -9.754 -7.298 5.521 14 2HB PRO 2 3HB PRO 2 -11.020 -8.486 5.947 15 1HG PRO 2 2HG PRO 2 -8.115 -8.478 6.799 16 2HG PRO 2 3HG PRO 2 -9.553 -8.709 7.839 17 1HD PRO 2 2HD PRO 2 -8.168 -10.834 6.989 18 2HD PRO 2 3HD PRO 2 -9.941 -10.898 6.927 19 H LYS 3 H LYS 3 -9.817 -8.605 2.056 20 HA LYS 3 HA LYS 3 -7.006 -7.717 1.750 21 1HB LYS 3 2HB LYS 3 -7.572 -9.481 0.262 22 2HB LYS 3 3HB LYS 3 -9.039 -8.662 -0.254 23 1HG LYS 3 2HG LYS 3 -7.535 -6.762 -1.120 24 2HG LYS 3 3HG LYS 3 -6.155 -7.821 -0.829 25 1HD LYS 3 2HD LYS 3 -8.557 -8.444 -2.645 26 2HD LYS 3 3HD LYS 3 -7.085 -7.650 -3.182 27 1HE LYS 3 2HE LYS 3 -6.900 -9.887 -3.833 28 2HE LYS 3 3HE LYS 3 -5.739 -9.660 -2.518 29 1HZ LYS 3 1HZ LYS 3 -8.454 -10.794 -2.124 30 2HZ LYS 3 2HZ LYS 3 -7.160 -11.727 -2.470 31 3HZ LYS 3 3HZ LYS 3 -7.157 -10.923 -1.084 32 H HIS 4 H HIS 4 -6.586 -5.677 1.169 33 HA HIS 4 HA HIS 4 -8.798 -3.691 0.968 34 1HB HIS 4 2HB HIS 4 -6.089 -3.367 2.322 35 2HB HIS 4 3HB HIS 4 -7.411 -2.213 2.324 36 HD1 HIS 4 1HD HIS 4 -5.996 -5.006 4.323 37 HD2 HIS 4 2HD HIS 4 -9.787 -3.325 3.608 38 HE1 HIS 4 1HE HIS 4 -7.496 -5.755 6.240 39 H GLU 5 H GLU 5 -8.693 -2.629 -1.023 40 HA GLU 5 HA GLU 5 -6.156 -2.713 -2.587 41 1HB GLU 5 2HB GLU 5 -9.037 -2.054 -3.307 42 2HB GLU 5 3HB GLU 5 -7.665 -1.687 -4.340 43 1HG GLU 5 2HG GLU 5 -7.091 -4.240 -3.996 44 2HG GLU 5 3HG GLU 5 -8.827 -4.359 -3.660 45 H PHE 6 H PHE 6 -5.144 -0.882 -3.322 46 HA PHE 6 HA PHE 6 -6.164 1.773 -2.509 47 1HB PHE 6 2HB PHE 6 -3.300 0.729 -2.154 48 2HB PHE 6 3HB PHE 6 -3.844 2.327 -1.704 49 HD1 PHE 6 1HD PHE 6 -4.104 -1.317 -0.900 50 HD2 PHE 6 2HD PHE 6 -4.692 2.710 0.555 51 HE1 PHE 6 1HE PHE 6 -4.432 -2.181 1.374 52 HE2 PHE 6 2HE PHE 6 -4.921 1.831 2.843 53 HZ PHE 6 HZ PHE 6 -4.890 -0.621 3.262 54 H SER 7 H SER 7 -5.694 3.347 -3.986 55 HA SER 7 HA SER 7 -4.368 2.536 -6.536 56 1HB SER 7 2HB SER 7 -6.529 3.794 -6.698 57 2HB SER 7 3HB SER 7 -5.741 5.163 -5.860 58 HG SER 7 HG SER 7 -5.668 5.307 -8.172 59 H VAL 8 H VAL 8 -2.295 3.328 -6.964 60 HA VAL 8 HA VAL 8 -1.000 5.114 -4.976 61 HB VAL 8 HB VAL 8 0.076 2.477 -6.107 62 1HG1 VAL 8 1HG1 VAL 8 1.042 4.310 -3.852 63 2HG1 VAL 8 2HG1 VAL 8 1.890 2.889 -4.516 64 3HG1 VAL 8 3HG1 VAL 8 1.693 4.361 -5.491 65 1HG2 VAL 8 1HG2 VAL 8 -0.072 1.737 -3.682 66 2HG2 VAL 8 2HG2 VAL 8 -1.121 3.118 -3.373 67 3HG2 VAL 8 3HG2 VAL 8 -1.636 1.853 -4.507 68 H ASP 9 H ASP 9 -0.392 6.840 -6.246 69 HA ASP 9 HA ASP 9 0.141 6.735 -9.047 70 1HB ASP 9 2HB ASP 9 -0.538 8.719 -7.813 71 2HB ASP 9 3HB ASP 9 0.978 8.668 -6.879 72 H MET 10 H MET 10 1.466 4.724 -8.925 73 HA MET 10 HA MET 10 4.277 5.102 -8.216 74 1HB MET 10 2HB MET 10 2.883 2.768 -9.559 75 2HB MET 10 3HB MET 10 4.603 2.843 -9.114 76 1HG MET 10 2HG MET 10 3.892 3.416 -6.747 77 2HG MET 10 3HG MET 10 2.235 3.053 -7.226 78 1HE MET 10 1HE MET 10 1.214 0.778 -7.314 79 2HE MET 10 2HE MET 10 2.174 0.622 -8.799 80 3HE MET 10 3HE MET 10 2.149 -0.700 -7.605 81 H THR 11 H THR 11 4.308 7.116 -9.413 82 HA THR 11 HA THR 11 4.495 7.086 -12.269 83 HB THR 11 HB THR 11 5.916 9.292 -11.096 84 HG1 THR 11 1HG THR 11 3.438 8.952 -9.789 85 1HG2 THR 11 1HG2 THR 11 4.472 9.458 -13.071 86 2HG2 THR 11 2HG2 THR 11 3.040 9.087 -12.082 87 3HG2 THR 11 3HG2 THR 11 3.942 10.590 -11.809 88 H CYS 12 H CYS 12 6.795 6.387 -9.636 89 HA CYS 12 HA CYS 12 8.924 5.993 -11.703 90 1HB CYS 12 2HB CYS 12 9.379 8.015 -10.342 91 2HB CYS 12 3HB CYS 12 9.198 7.056 -8.852 92 HG CYS 12 HG CYS 12 11.325 6.625 -11.342 93 H GLY 13 H GLY 13 10.134 4.055 -11.328 94 1HA GLY 13 2HA GLY 13 8.890 1.820 -10.172 95 2HA GLY 13 3HA GLY 13 10.637 1.995 -10.436 96 H GLY 14 H GLY 14 11.191 4.159 -8.756 97 1HA GLY 14 2HA GLY 14 11.544 2.938 -6.256 98 2HA GLY 14 3HA GLY 14 11.747 4.671 -6.585 99 H CYS 15 H CYS 15 8.631 4.540 -7.433 100 HA CYS 15 HA CYS 15 7.533 5.307 -4.916 101 1HB CYS 15 2HB CYS 15 6.135 4.321 -7.387 102 2HB CYS 15 3HB CYS 15 5.360 4.931 -5.904 103 HG CYS 15 HG CYS 15 5.117 6.924 -7.333 104 H ALA 16 H ALA 16 7.848 2.173 -6.667 105 HA ALA 16 HA ALA 16 6.245 0.658 -4.806 106 1HB ALA 16 1HB ALA 16 6.650 -0.130 -7.087 107 2HB ALA 16 2HB ALA 16 8.392 -0.289 -6.750 108 3HB ALA 16 3HB ALA 16 7.227 -1.308 -5.893 109 H GLU 17 H GLU 17 9.736 1.514 -4.988 110 HA GLU 17 HA GLU 17 10.505 -0.050 -2.702 111 1HB GLU 17 2HB GLU 17 11.656 2.546 -3.832 112 2HB GLU 17 3HB GLU 17 12.163 1.829 -2.322 113 1HG GLU 17 2HG GLU 17 12.548 -0.366 -3.667 114 2HG GLU 17 3HG GLU 17 12.486 0.686 -5.093 115 H ALA 18 H ALA 18 9.160 3.285 -2.995 116 HA ALA 18 HA ALA 18 9.259 3.902 -0.241 117 1HB ALA 18 1HB ALA 18 8.616 5.516 -2.058 118 2HB ALA 18 2HB ALA 18 7.006 4.754 -2.102 119 3HB ALA 18 3HB ALA 18 7.559 5.545 -0.628 120 H VAL 19 H VAL 19 6.621 2.325 -2.107 121 HA VAL 19 HA VAL 19 4.918 1.777 0.058 122 HB VAL 19 HB VAL 19 5.352 0.066 -2.426 123 1HG1 VAL 19 1HG1 VAL 19 3.063 0.091 -0.411 124 2HG1 VAL 19 2HG1 VAL 19 3.148 -0.871 -1.908 125 3HG1 VAL 19 3HG1 VAL 19 4.246 -1.219 -0.588 126 1HG2 VAL 19 1HG2 VAL 19 4.560 2.420 -2.888 127 2HG2 VAL 19 2HG2 VAL 19 3.342 1.199 -3.262 128 3HG2 VAL 19 3HG2 VAL 19 3.214 2.154 -1.770 129 H SER 20 H SER 20 7.500 -0.352 -1.335 130 HA SER 20 HA SER 20 7.059 -2.436 0.486 131 1HB SER 20 2HB SER 20 8.408 -2.632 -1.617 132 2HB SER 20 3HB SER 20 9.702 -1.685 -0.858 133 HG SER 20 HG SER 20 8.660 -4.148 0.133 134 H ARG 21 H ARG 21 9.330 0.281 0.761 135 HA ARG 21 HA ARG 21 10.482 -0.548 3.216 136 1HB ARG 21 2HB ARG 21 10.269 2.163 1.862 137 2HB ARG 21 3HB ARG 21 11.244 1.851 3.313 138 1HG ARG 21 2HG ARG 21 12.562 0.161 2.157 139 2HG ARG 21 3HG ARG 21 11.559 0.251 0.719 140 1HD ARG 21 2HD ARG 21 12.219 2.574 0.320 141 2HD ARG 21 3HD ARG 21 13.290 2.555 1.718 142 HE ARG 21 HE ARG 21 13.777 1.419 -0.959 143 1HH1 ARG 21 2HH2 ARG 21 14.671 0.993 2.421 144 2HH1 ARG 21 1HH2 ARG 21 16.224 0.293 2.051 145 1HH2 ARG 21 2HH1 ARG 21 15.629 0.573 -1.462 146 2HH2 ARG 21 1HH1 ARG 21 16.828 0.012 -0.298 147 H VAL 22 H VAL 22 7.711 1.858 2.656 148 HA VAL 22 HA VAL 22 7.379 2.239 5.399 149 HB VAL 22 HB VAL 22 6.646 3.681 3.470 150 1HG1 VAL 22 1HG1 VAL 22 4.177 1.922 3.548 151 2HG1 VAL 22 2HG1 VAL 22 4.398 3.373 2.568 152 3HG1 VAL 22 3HG1 VAL 22 5.367 1.947 2.229 153 1HG2 VAL 22 1HG2 VAL 22 6.012 4.100 5.785 154 2HG2 VAL 22 2HG2 VAL 22 4.727 4.547 4.627 155 3HG2 VAL 22 3HG2 VAL 22 4.573 3.052 5.572 156 H LEU 23 H LEU 23 5.667 -0.097 3.167 157 HA LEU 23 HA LEU 23 4.010 -1.133 5.161 158 1HB LEU 23 2HB LEU 23 5.040 -2.181 2.507 159 2HB LEU 23 3HB LEU 23 4.169 -3.236 3.594 160 HG LEU 23 HG LEU 23 2.733 -2.263 1.852 161 1HD1 LEU 23 1HD1 LEU 23 1.693 -3.249 3.767 162 2HD1 LEU 23 2HD1 LEU 23 2.083 -1.846 4.794 163 3HD1 LEU 23 3HD1 LEU 23 0.908 -1.669 3.508 164 1HD2 LEU 23 1HD2 LEU 23 1.855 -0.053 2.096 165 2HD2 LEU 23 2HD2 LEU 23 2.814 0.211 3.569 166 3HD2 LEU 23 3HD2 LEU 23 3.621 0.070 1.982 167 H ASN 24 H ASN 24 7.338 -2.281 4.197 168 HA ASN 24 HA ASN 24 7.472 -4.381 6.095 169 1HB ASN 24 2HB ASN 24 9.515 -2.526 4.808 170 2HB ASN 24 3HB ASN 24 9.941 -3.576 6.139 171 1HD2 ASN 24 1HD2 ASN 24 9.184 -3.536 2.741 172 2HD2 ASN 24 2HD2 ASN 24 9.705 -5.199 2.472 173 H LYS 25 H LYS 25 8.316 -0.908 6.403 174 HA LYS 25 HA LYS 25 9.249 -0.919 9.031 175 1HB LYS 25 2HB LYS 25 7.907 1.158 7.276 176 2HB LYS 25 3HB LYS 25 8.224 1.541 8.959 177 1HG LYS 25 2HG LYS 25 10.405 0.477 7.122 178 2HG LYS 25 3HG LYS 25 10.003 2.198 7.220 179 1HD LYS 25 2HD LYS 25 10.436 2.205 9.651 180 2HD LYS 25 3HD LYS 25 10.848 0.481 9.606 181 1HE LYS 25 2HE LYS 25 12.719 0.972 8.027 182 2HE LYS 25 3HE LYS 25 12.329 2.698 8.111 183 1HZ LYS 25 1HZ LYS 25 12.826 2.628 10.464 184 2HZ LYS 25 2HZ LYS 25 13.188 1.024 10.382 185 3HZ LYS 25 3HZ LYS 25 14.117 2.119 9.586 186 H LEU 26 H LEU 26 5.883 -0.745 7.924 187 HA LEU 26 HA LEU 26 4.611 -0.273 10.348 188 1HB LEU 26 2HB LEU 26 3.648 -0.675 8.029 189 2HB LEU 26 3HB LEU 26 3.709 -2.393 8.339 190 HG LEU 26 HG LEU 26 1.525 -1.097 8.632 191 1HD1 LEU 26 1HD1 LEU 26 1.793 -3.464 9.164 192 2HD1 LEU 26 2HD1 LEU 26 2.328 -3.047 10.809 193 3HD1 LEU 26 3HD1 LEU 26 0.687 -2.643 10.273 194 1HD2 LEU 26 1HD2 LEU 26 0.998 -0.157 10.777 195 2HD2 LEU 26 2HD2 LEU 26 2.561 -0.626 11.457 196 3HD2 LEU 26 3HD2 LEU 26 2.461 0.651 10.230 197 H GLY 27 H GLY 27 6.017 -3.347 9.178 198 1HA GLY 27 2HA GLY 27 6.741 -4.372 11.588 199 2HA GLY 27 3HA GLY 27 5.019 -4.801 11.519 200 H GLY 28 H GLY 28 4.291 -6.361 10.037 201 1HA GLY 28 2HA GLY 28 6.263 -7.919 8.449 202 2HA GLY 28 3HA GLY 28 5.498 -8.704 9.845 203 H VAL 29 H VAL 29 4.213 -6.338 7.597 204 HA VAL 29 HA VAL 29 1.803 -7.871 6.982 205 HB VAL 29 HB VAL 29 1.778 -5.440 7.321 206 1HG1 VAL 29 1HG1 VAL 29 3.465 -5.212 4.793 207 2HG1 VAL 29 2HG1 VAL 29 2.796 -3.883 5.757 208 3HG1 VAL 29 3HG1 VAL 29 4.070 -4.900 6.413 209 1HG2 VAL 29 1HG2 VAL 29 0.470 -4.769 5.414 210 2HG2 VAL 29 2HG2 VAL 29 1.121 -6.062 4.413 211 3HG2 VAL 29 3HG2 VAL 29 0.085 -6.451 5.809 212 H LYS 30 H LYS 30 1.207 -8.425 4.710 213 HA LYS 30 HA LYS 30 3.477 -8.599 2.832 214 1HB LYS 30 2HB LYS 30 2.907 -10.853 3.813 215 2HB LYS 30 3HB LYS 30 1.318 -10.748 3.040 216 1HG LYS 30 2HG LYS 30 3.891 -10.335 1.455 217 2HG LYS 30 3HG LYS 30 3.369 -11.962 1.872 218 1HD LYS 30 2HD LYS 30 1.465 -11.910 0.556 219 2HD LYS 30 3HD LYS 30 1.365 -10.148 0.497 220 1HE LYS 30 2HE LYS 30 3.239 -9.930 -0.933 221 2HE LYS 30 3HE LYS 30 3.673 -11.643 -0.806 222 1HZ LYS 30 1HZ LYS 30 1.821 -12.224 -2.131 223 2HZ LYS 30 2HZ LYS 30 1.064 -10.784 -1.884 224 3HZ LYS 30 3HZ LYS 30 2.295 -10.803 -2.851 225 H TYR 31 H TYR 31 2.945 -7.855 0.805 226 HA TYR 31 HA TYR 31 0.274 -6.779 0.243 227 1HB TYR 31 2HB TYR 31 1.299 -4.510 -0.007 228 2HB TYR 31 3HB TYR 31 1.196 -5.062 1.664 229 HD1 TYR 31 HD1 TYR 31 3.263 -6.019 2.793 230 HD2 TYR 31 HD2 TYR 31 3.418 -3.888 -0.935 231 HE1 TYR 31 HE1 TYR 31 5.722 -5.931 2.969 232 HE2 TYR 31 HE2 TYR 31 5.894 -3.924 -0.847 233 HH TYR 31 HH TYR 31 7.648 -5.222 1.982 234 H ASP 32 H ASP 32 0.192 -6.005 -1.961 235 HA ASP 32 HA ASP 32 2.215 -7.232 -3.786 236 1HB ASP 32 2HB ASP 32 -0.757 -7.592 -3.459 237 2HB ASP 32 3HB ASP 32 -0.046 -7.837 -5.053 238 H ILE 33 H ILE 33 2.699 -5.978 -5.502 239 HA ILE 33 HA ILE 33 1.617 -3.198 -5.409 240 HB ILE 33 HB ILE 33 4.512 -4.037 -5.780 241 1HG1 ILE 33 2HG1 ILE 33 4.416 -2.950 -3.281 242 2HG1 ILE 33 3HG1 ILE 33 2.897 -3.819 -3.270 243 1HG2 ILE 33 1HG2 ILE 33 3.197 -1.397 -5.027 244 2HG2 ILE 33 2HG2 ILE 33 4.942 -1.701 -5.138 245 3HG2 ILE 33 3HG2 ILE 33 3.942 -1.813 -6.586 246 1HD1 ILE 33 1HD1 ILE 33 4.593 -5.365 -2.464 247 2HD1 ILE 33 2HD1 ILE 33 4.270 -5.887 -4.108 248 3HD1 ILE 33 3HD1 ILE 33 5.706 -4.907 -3.764 249 H ASP 34 H ASP 34 0.655 -2.768 -7.343 250 HA ASP 34 HA ASP 34 1.580 -4.239 -9.768 251 1HB ASP 34 2HB ASP 34 -0.767 -4.485 -8.979 252 2HB ASP 34 3HB ASP 34 -1.028 -2.767 -9.332 253 H LEU 35 H LEU 35 3.170 -3.069 -10.663 254 HA LEU 35 HA LEU 35 3.386 -0.217 -10.544 255 1HB LEU 35 2HB LEU 35 4.863 -2.414 -12.014 256 2HB LEU 35 3HB LEU 35 5.189 -0.729 -12.386 257 HG LEU 35 HG LEU 35 6.791 -1.738 -10.831 258 1HD1 LEU 35 1HD1 LEU 35 6.380 0.733 -10.909 259 2HD1 LEU 35 2HD1 LEU 35 5.295 0.556 -9.513 260 3HD1 LEU 35 3HD1 LEU 35 7.013 0.149 -9.366 261 1HD2 LEU 35 1HD2 LEU 35 4.545 -1.733 -8.784 262 2HD2 LEU 35 2HD2 LEU 35 5.239 -3.185 -9.542 263 3HD2 LEU 35 3HD2 LEU 35 6.242 -2.159 -8.501 264 HA PRO 36 HA PRO 36 2.049 -0.154 -15.138 265 1HB PRO 36 2HB PRO 36 0.268 -2.119 -15.994 266 2HB PRO 36 3HB PRO 36 2.014 -2.037 -16.358 267 1HG PRO 36 2HG PRO 36 0.624 -3.661 -14.250 268 2HG PRO 36 3HG PRO 36 1.985 -4.140 -15.292 269 1HD PRO 36 2HD PRO 36 2.329 -3.416 -12.732 270 2HD PRO 36 3HD PRO 36 3.537 -2.963 -13.960 271 H ASN 37 H ASN 37 -0.338 -1.877 -12.963 272 HA ASN 37 HA ASN 37 -2.438 -0.079 -13.870 273 1HB ASN 37 2HB ASN 37 -2.523 -2.205 -11.704 274 2HB ASN 37 3HB ASN 37 -3.887 -1.323 -12.354 275 1HD2 ASN 37 1HD2 ASN 37 -1.450 -3.777 -13.112 276 2HD2 ASN 37 2HD2 ASN 37 -2.268 -4.390 -14.552 277 H LYS 38 H LYS 38 -0.175 0.026 -11.127 278 HA LYS 38 HA LYS 38 0.179 1.693 -9.675 279 1HB LYS 38 2HB LYS 38 -1.770 3.207 -11.456 280 2HB LYS 38 3HB LYS 38 -1.041 3.932 -10.053 281 1HG LYS 38 2HG LYS 38 1.095 3.937 -10.948 282 2HG LYS 38 3HG LYS 38 0.830 2.421 -11.798 283 1HD LYS 38 2HD LYS 38 -0.681 3.694 -13.425 284 2HD LYS 38 3HD LYS 38 -0.121 5.182 -12.644 285 1HE LYS 38 2HE LYS 38 1.199 4.716 -14.660 286 2HE LYS 38 3HE LYS 38 2.239 4.593 -13.230 287 1HZ LYS 38 1HZ LYS 38 0.961 2.248 -14.511 288 2HZ LYS 38 2HZ LYS 38 2.487 2.773 -14.880 289 3HZ LYS 38 3HZ LYS 38 2.127 2.209 -13.382 290 H LYS 39 H LYS 39 -1.093 -0.406 -8.927 291 HA LYS 39 HA LYS 39 -2.864 0.691 -6.825 292 1HB LYS 39 2HB LYS 39 -3.131 -2.005 -8.246 293 2HB LYS 39 3HB LYS 39 -3.796 -1.674 -6.649 294 1HG LYS 39 2HG LYS 39 -5.073 0.284 -7.730 295 2HG LYS 39 3HG LYS 39 -4.676 -0.507 -9.277 296 1HD LYS 39 2HD LYS 39 -5.503 -2.708 -8.115 297 2HD LYS 39 3HD LYS 39 -6.161 -1.667 -6.849 298 1HE LYS 39 2HE LYS 39 -7.598 -0.551 -8.623 299 2HE LYS 39 3HE LYS 39 -6.937 -1.713 -9.793 300 1HZ LYS 39 1HZ LYS 39 -7.773 -3.413 -7.988 301 2HZ LYS 39 2HZ LYS 39 -8.718 -2.272 -7.498 302 3HZ LYS 39 3HZ LYS 39 -8.873 -2.766 -9.060 303 H VAL 40 H VAL 40 -2.599 -0.363 -4.764 304 HA VAL 40 HA VAL 40 -0.655 -2.546 -4.617 305 HB VAL 40 HB VAL 40 -1.163 -0.121 -2.853 306 1HG1 VAL 40 1HG1 VAL 40 -0.332 -2.834 -1.834 307 2HG1 VAL 40 2HG1 VAL 40 -0.110 -1.295 -0.950 308 3HG1 VAL 40 3HG1 VAL 40 -1.743 -1.821 -1.401 309 1HG2 VAL 40 1HG2 VAL 40 1.381 -1.675 -3.442 310 2HG2 VAL 40 2HG2 VAL 40 0.800 -0.308 -4.423 311 3HG2 VAL 40 3HG2 VAL 40 1.225 -0.051 -2.718 312 H CYS 41 H CYS 41 -1.587 -4.314 -3.678 313 HA CYS 41 HA CYS 41 -4.213 -3.933 -2.367 314 1HB CYS 41 2HB CYS 41 -5.198 -5.775 -3.168 315 2HB CYS 41 3HB CYS 41 -4.355 -5.325 -4.642 316 HG CYS 41 HG CYS 41 -2.357 -6.920 -4.224 317 H ILE 42 H ILE 42 -4.345 -4.952 -0.372 318 HA ILE 42 HA ILE 42 -1.893 -6.394 0.562 319 HB ILE 42 HB ILE 42 -3.486 -4.380 2.186 320 1HG1 ILE 42 2HG1 ILE 42 -0.846 -4.015 0.708 321 2HG1 ILE 42 3HG1 ILE 42 -2.355 -3.152 0.395 322 1HG2 ILE 42 1HG2 ILE 42 -1.667 -4.664 3.828 323 2HG2 ILE 42 2HG2 ILE 42 -2.314 -6.237 3.424 324 3HG2 ILE 42 3HG2 ILE 42 -0.789 -5.701 2.698 325 1HD1 ILE 42 1HD1 ILE 42 -0.779 -1.743 1.596 326 2HD1 ILE 42 2HD1 ILE 42 -2.236 -2.032 2.560 327 3HD1 ILE 42 3HD1 ILE 42 -0.737 -2.912 2.927 328 H GLU 43 H GLU 43 -2.413 -8.236 1.681 329 HA GLU 43 HA GLU 43 -5.184 -8.534 2.661 330 1HB GLU 43 2HB GLU 43 -5.039 -9.725 0.504 331 2HB GLU 43 3HB GLU 43 -3.712 -10.720 1.132 332 1HG GLU 43 2HG GLU 43 -5.065 -11.565 2.901 333 2HG GLU 43 3HG GLU 43 -6.425 -10.477 2.533 334 H SER 44 H SER 44 -4.857 -8.392 4.758 335 HA SER 44 HA SER 44 -3.162 -10.337 6.097 336 1HB SER 44 2HB SER 44 -2.022 -8.492 7.406 337 2HB SER 44 3HB SER 44 -1.463 -8.695 5.741 338 HG SER 44 HG SER 44 -2.158 -6.469 6.730 339 H GLU 45 H GLU 45 -4.192 -10.886 7.985 340 HA GLU 45 HA GLU 45 -6.742 -9.614 8.473 341 1HB GLU 45 2HB GLU 45 -6.123 -12.089 8.486 342 2HB GLU 45 3HB GLU 45 -5.526 -11.852 10.128 343 1HG GLU 45 2HG GLU 45 -7.699 -11.563 10.950 344 2HG GLU 45 3HG GLU 45 -8.312 -10.864 9.447 345 H HIS 46 H HIS 46 -5.416 -7.549 8.811 346 HA HIS 46 HA HIS 46 -5.873 -6.953 11.611 347 1HB HIS 46 2HB HIS 46 -3.831 -5.438 11.719 348 2HB HIS 46 3HB HIS 46 -3.576 -7.168 11.916 349 HD1 HIS 46 1HD HIS 46 -1.307 -7.699 10.940 350 HD2 HIS 46 2HD HIS 46 -3.492 -4.914 8.659 351 HE1 HIS 46 1HE HIS 46 0.145 -7.091 8.930 352 H SER 47 H SER 47 -6.226 -4.590 11.863 353 HA SER 47 HA SER 47 -8.198 -4.052 9.995 354 1HB SER 47 2HB SER 47 -7.934 -3.220 12.460 355 2HB SER 47 3HB SER 47 -7.173 -1.791 11.725 356 HG SER 47 HG SER 47 -9.116 -1.218 10.987 357 H MET 48 H MET 48 -8.541 -2.588 8.384 358 HA MET 48 HA MET 48 -6.700 -1.925 6.478 359 1HB MET 48 2HB MET 48 -9.250 -1.898 6.472 360 2HB MET 48 3HB MET 48 -9.177 -0.348 7.321 361 1HG MET 48 2HG MET 48 -7.664 0.382 5.311 362 2HG MET 48 3HG MET 48 -8.324 -1.053 4.524 363 1HE MET 48 1HE MET 48 -11.373 -0.946 5.880 364 2HE MET 48 2HE MET 48 -12.200 -0.120 4.543 365 3HE MET 48 3HE MET 48 -11.011 -1.393 4.194 366 H ASP 49 H ASP 49 -7.895 0.066 9.191 367 HA ASP 49 HA ASP 49 -6.932 2.534 8.757 368 1HB ASP 49 2HB ASP 49 -6.830 1.184 11.486 369 2HB ASP 49 3HB ASP 49 -7.124 2.889 11.126 370 H THR 50 H THR 50 -5.251 -0.004 10.452 371 HA THR 50 HA THR 50 -2.851 1.112 11.167 372 HB THR 50 HB THR 50 -3.192 -1.717 10.081 373 HG1 THR 50 1HG THR 50 -4.364 -2.209 11.821 374 1HG2 THR 50 1HG2 THR 50 -1.802 -2.317 12.036 375 2HG2 THR 50 2HG2 THR 50 -0.978 -1.146 10.992 376 3HG2 THR 50 3HG2 THR 50 -1.720 -0.607 12.515 377 H LEU 51 H LEU 51 -3.725 -0.430 8.042 378 HA LEU 51 HA LEU 51 -1.076 -0.105 6.864 379 1HB LEU 51 2HB LEU 51 -3.751 -0.575 5.486 380 2HB LEU 51 3HB LEU 51 -2.137 -0.754 4.787 381 HG LEU 51 HG LEU 51 -3.190 -2.367 7.209 382 1HD1 LEU 51 1HD1 LEU 51 -4.650 -2.814 5.357 383 2HD1 LEU 51 2HD1 LEU 51 -3.279 -3.083 4.273 384 3HD1 LEU 51 3HD1 LEU 51 -3.585 -4.207 5.617 385 1HD2 LEU 51 1HD2 LEU 51 -0.810 -2.743 5.348 386 2HD2 LEU 51 2HD2 LEU 51 -0.755 -2.364 7.085 387 3HD2 LEU 51 3HD2 LEU 51 -1.370 -3.930 6.545 388 H LEU 52 H LEU 52 -4.287 1.340 6.375 389 HA LEU 52 HA LEU 52 -3.878 3.302 4.558 390 1HB LEU 52 2HB LEU 52 -5.700 2.781 6.783 391 2HB LEU 52 3HB LEU 52 -5.480 4.513 6.611 392 HG LEU 52 HG LEU 52 -6.290 2.639 4.346 393 1HD1 LEU 52 1HD1 LEU 52 -8.024 4.388 6.127 394 2HD1 LEU 52 2HD1 LEU 52 -8.563 3.445 4.716 395 3HD1 LEU 52 3HD1 LEU 52 -7.943 2.615 6.155 396 1HD2 LEU 52 1HD2 LEU 52 -6.289 5.668 4.710 397 2HD2 LEU 52 2HD2 LEU 52 -5.306 4.759 3.540 398 3HD2 LEU 52 3HD2 LEU 52 -7.066 4.846 3.351 399 H ALA 53 H ALA 53 -3.382 3.790 8.083 400 HA ALA 53 HA ALA 53 -2.299 6.401 7.863 401 1HB ALA 53 1HB ALA 53 -1.443 5.986 10.154 402 2HB ALA 53 2HB ALA 53 -3.120 5.432 9.981 403 3HB ALA 53 3HB ALA 53 -1.794 4.252 9.974 404 H THR 54 H THR 54 -0.596 3.268 8.092 405 HA THR 54 HA THR 54 2.041 4.318 8.007 406 HB THR 54 HB THR 54 0.995 1.806 8.282 407 HG1 THR 54 1HG THR 54 3.325 1.381 8.433 408 1HG2 THR 54 1HG2 THR 54 2.743 1.871 5.826 409 2HG2 THR 54 2HG2 THR 54 2.248 0.413 6.700 410 3HG2 THR 54 3HG2 THR 54 1.037 1.366 5.856 411 H LEU 55 H LEU 55 0.072 3.185 5.271 412 HA LEU 55 HA LEU 55 2.122 3.960 3.399 413 1HB LEU 55 2HB LEU 55 0.564 3.350 1.660 414 2HB LEU 55 3HB LEU 55 0.965 2.161 2.856 415 HG LEU 55 HG LEU 55 -1.367 3.311 3.893 416 1HD1 LEU 55 1HD1 LEU 55 -1.465 4.591 1.801 417 2HD1 LEU 55 2HD1 LEU 55 -1.654 3.060 0.909 418 3HD1 LEU 55 3HD1 LEU 55 -2.898 3.568 2.089 419 1HD2 LEU 55 1HD2 LEU 55 -2.316 1.141 3.254 420 2HD2 LEU 55 2HD2 LEU 55 -1.014 0.917 2.050 421 3HD2 LEU 55 3HD2 LEU 55 -0.618 0.958 3.779 422 H LYS 56 H LYS 56 -0.913 5.581 4.420 423 HA LYS 56 HA LYS 56 -0.741 7.832 2.739 424 1HB LYS 56 2HB LYS 56 -1.725 7.452 5.586 425 2HB LYS 56 3HB LYS 56 -1.651 9.059 4.895 426 1HG LYS 56 2HG LYS 56 -3.040 8.450 3.010 427 2HG LYS 56 3HG LYS 56 -3.127 6.761 3.552 428 1HD LYS 56 2HD LYS 56 -4.326 7.350 5.534 429 2HD LYS 56 3HD LYS 56 -3.979 9.079 5.333 430 1HE LYS 56 2HE LYS 56 -5.362 9.207 3.309 431 2HE LYS 56 3HE LYS 56 -5.662 7.468 3.345 432 1HZ LYS 56 1HZ LYS 56 -6.848 7.789 5.424 433 2HZ LYS 56 2HZ LYS 56 -6.565 9.411 5.375 434 3HZ LYS 56 3HZ LYS 56 -7.503 8.703 4.227 435 H LYS 57 H LYS 57 0.978 7.241 5.842 436 HA LYS 57 HA LYS 57 2.222 9.770 5.994 437 1HB LYS 57 2HB LYS 57 2.851 7.054 7.085 438 2HB LYS 57 3HB LYS 57 3.975 8.402 7.376 439 1HG LYS 57 2HG LYS 57 2.077 9.702 8.351 440 2HG LYS 57 3HG LYS 57 1.036 8.290 8.139 441 1HD LYS 57 2HD LYS 57 3.561 8.444 9.855 442 2HD LYS 57 3HD LYS 57 1.891 8.502 10.450 443 1HE LYS 57 2HE LYS 57 1.511 6.201 9.481 444 2HE LYS 57 3HE LYS 57 3.231 6.129 9.048 445 1HZ LYS 57 1HZ LYS 57 2.814 5.014 11.078 446 2HZ LYS 57 2HZ LYS 57 3.770 6.319 11.365 447 3HZ LYS 57 3HZ LYS 57 2.174 6.358 11.777 448 H THR 58 H THR 58 2.896 7.457 3.495 449 HA THR 58 HA THR 58 5.652 8.201 3.053 450 HB THR 58 HB THR 58 5.246 7.593 0.722 451 HG1 THR 58 1HG THR 58 2.548 7.094 1.394 452 1HG2 THR 58 1HG2 THR 58 5.700 5.798 2.268 453 2HG2 THR 58 2HG2 THR 58 3.980 5.660 2.675 454 3HG2 THR 58 3HG2 THR 58 4.536 5.271 1.031 455 H GLY 59 H GLY 59 2.562 9.803 2.534 456 1HA GLY 59 2HA GLY 59 2.043 11.938 2.008 457 2HA GLY 59 3HA GLY 59 3.764 12.355 1.910 458 H LYS 60 H LYS 60 2.459 9.651 0.008 459 HA LYS 60 HA LYS 60 2.908 11.156 -2.527 460 1HB LYS 60 2HB LYS 60 2.820 8.247 -1.704 461 2HB LYS 60 3HB LYS 60 2.588 8.712 -3.383 462 1HG LYS 60 2HG LYS 60 4.946 8.106 -2.754 463 2HG LYS 60 3HG LYS 60 4.741 9.668 -3.575 464 1HD LYS 60 2HD LYS 60 5.003 10.903 -1.549 465 2HD LYS 60 3HD LYS 60 4.861 9.415 -0.581 466 1HE LYS 60 2HE LYS 60 7.035 8.661 -1.320 467 2HE LYS 60 3HE LYS 60 7.191 10.044 -2.424 468 1HZ LYS 60 1HZ LYS 60 8.313 10.317 -0.225 469 2HZ LYS 60 2HZ LYS 60 7.233 11.508 -0.577 470 3HZ LYS 60 3HZ LYS 60 6.820 10.347 0.495 471 H THR 61 H THR 61 1.400 10.678 -4.327 472 HA THR 61 HA THR 61 -1.380 10.976 -3.673 473 HB THR 61 HB THR 61 -1.168 10.337 -6.318 474 HG1 THR 61 1HG THR 61 0.831 10.963 -7.067 475 1HG2 THR 61 1HG2 THR 61 -2.168 12.403 -5.432 476 2HG2 THR 61 2HG2 THR 61 -0.549 13.036 -5.047 477 3HG2 THR 61 3HG2 THR 61 -1.027 12.779 -6.738 478 H VAL 62 H VAL 62 -1.248 9.139 -2.211 479 HA VAL 62 HA VAL 62 -2.139 6.649 -3.586 480 HB VAL 62 HB VAL 62 -0.132 6.023 -2.538 481 1HG1 VAL 62 1HG1 VAL 62 0.336 6.405 -0.098 482 2HG1 VAL 62 2HG1 VAL 62 0.389 7.860 -1.088 483 3HG1 VAL 62 3HG1 VAL 62 -1.025 7.544 -0.056 484 1HG2 VAL 62 1HG2 VAL 62 -2.158 4.556 -2.059 485 2HG2 VAL 62 2HG2 VAL 62 -0.791 4.374 -0.946 486 3HG2 VAL 62 3HG2 VAL 62 -2.225 5.299 -0.454 487 H SER 63 H SER 63 -4.058 5.702 -2.833 488 HA SER 63 HA SER 63 -5.252 6.659 -0.375 489 1HB SER 63 2HB SER 63 -6.042 8.407 -1.993 490 2HB SER 63 3HB SER 63 -6.827 7.122 -2.941 491 HG SER 63 HG SER 63 -8.261 8.085 -1.414 492 H TYR 64 H TYR 64 -7.574 5.594 -0.335 493 HA TYR 64 HA TYR 64 -7.039 2.658 -0.652 494 1HB TYR 64 2HB TYR 64 -6.981 3.265 1.637 495 2HB TYR 64 3HB TYR 64 -8.396 4.315 1.478 496 HD1 TYR 64 HD1 TYR 64 -10.584 3.497 1.824 497 HD2 TYR 64 HD2 TYR 64 -7.362 0.727 1.099 498 HE1 TYR 64 HE1 TYR 64 -12.187 1.612 1.862 499 HE2 TYR 64 HE2 TYR 64 -8.962 -1.132 1.108 500 HH TYR 64 HH TYR 64 -11.135 -1.719 1.166 501 H LEU 65 H LEU 65 -8.505 1.482 -1.866 502 HA LEU 65 HA LEU 65 -11.285 2.292 -2.075 503 1HB LEU 65 2HB LEU 65 -11.103 2.272 -4.638 504 2HB LEU 65 3HB LEU 65 -10.822 3.729 -3.714 505 HG LEU 65 HG LEU 65 -9.313 3.408 -5.575 506 1HD1 LEU 65 1HD1 LEU 65 -7.549 4.479 -4.704 507 2HD1 LEU 65 2HD1 LEU 65 -8.783 4.759 -3.484 508 3HD1 LEU 65 3HD1 LEU 65 -7.543 3.504 -3.239 509 1HD2 LEU 65 1HD2 LEU 65 -7.996 1.125 -4.132 510 2HD2 LEU 65 2HD2 LEU 65 -8.942 1.040 -5.641 511 3HD2 LEU 65 3HD2 LEU 65 -7.431 1.921 -5.613 512 H GLY 66 H GLY 66 -11.287 0.082 -1.011 513 1HA GLY 66 2HA GLY 66 -12.877 -1.497 -2.340 514 2HA GLY 66 3HA GLY 66 -11.382 -2.084 -3.081 515 H LEU 67 H LEU 67 -13.433 -3.349 -1.068 516 HA LEU 67 HA LEU 67 -11.479 -4.368 0.881 517 1HB LEU 67 2HB LEU 67 -12.834 -2.969 2.227 518 2HB LEU 67 3HB LEU 67 -14.248 -3.197 1.191 519 HG LEU 67 HG LEU 67 -14.474 -5.485 1.943 520 1HD1 LEU 67 1HD1 LEU 67 -12.298 -4.753 3.990 521 2HD1 LEU 67 2HD1 LEU 67 -13.254 -6.248 4.002 522 3HD1 LEU 67 3HD1 LEU 67 -12.101 -5.948 2.700 523 1HD2 LEU 67 1HD2 LEU 67 -15.749 -3.682 3.007 524 2HD2 LEU 67 2HD2 LEU 67 -15.349 -4.930 4.200 525 3HD2 LEU 67 3HD2 LEU 67 -14.436 -3.407 4.172 526 H GLU 68 H GLU 68 -11.487 -6.636 0.717 527 HA GLU 68 HA GLU 68 -13.764 -8.033 -0.555 528 1HB GLU 68 2HB GLU 68 -12.076 -7.607 -2.308 529 2HB GLU 68 3HB GLU 68 -10.812 -8.193 -1.250 530 1HG GLU 68 2HG GLU 68 -11.976 -10.470 -1.275 531 2HG GLU 68 3HG GLU 68 -12.990 -9.828 -2.579 Start of MODEL 9 1 1H MET 1 H1 MET 1 -7.781 -6.590 6.628 2 2H MET 1 H2 MET 1 -6.909 -6.437 8.037 3 3H MET 1 H3 MET 1 -6.444 -7.484 6.897 4 HA MET 1 HA MET 1 -7.373 -8.616 8.734 5 1HB MET 1 2HB MET 1 -9.865 -7.108 7.990 6 2HB MET 1 3HB MET 1 -9.922 -8.690 8.810 7 1HG MET 1 2HG MET 1 -8.509 -7.852 10.607 8 2HG MET 1 3HG MET 1 -8.342 -6.285 9.800 9 1HE MET 1 1HE MET 1 -8.941 -5.139 12.084 10 2HE MET 1 2HE MET 1 -10.420 -5.499 13.006 11 3HE MET 1 3HE MET 1 -9.152 -6.737 12.845 12 HA PRO 2 HA PRO 2 -8.056 -11.009 4.845 13 1HB PRO 2 2HB PRO 2 -10.002 -10.778 3.103 14 2HB PRO 2 3HB PRO 2 -10.351 -11.430 4.717 15 1HG PRO 2 2HG PRO 2 -10.841 -8.551 3.870 16 2HG PRO 2 3HG PRO 2 -11.964 -9.662 4.685 17 1HD PRO 2 2HD PRO 2 -10.354 -7.824 5.982 18 2HD PRO 2 3HD PRO 2 -10.866 -9.359 6.739 19 H LYS 3 H LYS 3 -9.415 -9.044 2.374 20 HA LYS 3 HA LYS 3 -6.737 -7.921 1.855 21 1HB LYS 3 2HB LYS 3 -7.398 -9.880 0.524 22 2HB LYS 3 3HB LYS 3 -8.816 -9.010 -0.084 23 1HG LYS 3 2HG LYS 3 -7.463 -7.408 -1.259 24 2HG LYS 3 3HG LYS 3 -6.028 -7.874 -0.320 25 1HD LYS 3 2HD LYS 3 -6.132 -10.148 -1.394 26 2HD LYS 3 3HD LYS 3 -7.417 -9.540 -2.464 27 1HE LYS 3 2HE LYS 3 -5.946 -7.866 -3.410 28 2HE LYS 3 3HE LYS 3 -4.769 -8.067 -2.097 29 1HZ LYS 3 1HZ LYS 3 -4.276 -10.239 -2.908 30 2HZ LYS 3 2HZ LYS 3 -5.239 -9.991 -4.229 31 3HZ LYS 3 3HZ LYS 3 -3.930 -8.995 -3.960 32 H HIS 4 H HIS 4 -6.514 -5.960 0.926 33 HA HIS 4 HA HIS 4 -8.859 -4.142 0.797 34 1HB HIS 4 2HB HIS 4 -6.236 -3.635 2.256 35 2HB HIS 4 3HB HIS 4 -7.640 -2.563 2.194 36 HD1 HIS 4 1HD HIS 4 -9.937 -4.535 2.979 37 HD2 HIS 4 2HD HIS 4 -6.066 -4.717 4.605 38 HE1 HIS 4 1HE HIS 4 -10.138 -5.756 5.203 39 H GLU 5 H GLU 5 -8.765 -2.813 -0.961 40 HA GLU 5 HA GLU 5 -6.444 -3.084 -2.806 41 1HB GLU 5 2HB GLU 5 -9.376 -2.336 -3.087 42 2HB GLU 5 3HB GLU 5 -8.246 -2.286 -4.436 43 1HG GLU 5 2HG GLU 5 -8.787 -4.816 -2.784 44 2HG GLU 5 3HG GLU 5 -9.688 -4.375 -4.229 45 H PHE 6 H PHE 6 -5.430 -1.209 -3.648 46 HA PHE 6 HA PHE 6 -6.459 1.447 -2.844 47 1HB PHE 6 2HB PHE 6 -3.604 0.435 -2.498 48 2HB PHE 6 3HB PHE 6 -4.136 2.057 -2.129 49 HD1 PHE 6 1HD PHE 6 -4.627 2.565 0.181 50 HD2 PHE 6 2HD PHE 6 -4.519 -1.548 -1.143 51 HE1 PHE 6 1HE PHE 6 -4.667 1.786 2.506 52 HE2 PHE 6 2HE PHE 6 -4.747 -2.295 1.182 53 HZ PHE 6 HZ PHE 6 -4.870 -0.631 3.033 54 H SER 7 H SER 7 -5.979 3.068 -4.322 55 HA SER 7 HA SER 7 -4.380 2.265 -6.724 56 1HB SER 7 2HB SER 7 -6.671 3.186 -7.193 57 2HB SER 7 3HB SER 7 -6.106 4.731 -6.522 58 HG SER 7 HG SER 7 -4.689 3.355 -8.578 59 H VAL 8 H VAL 8 -2.672 3.584 -7.354 60 HA VAL 8 HA VAL 8 -1.555 5.478 -5.356 61 HB VAL 8 HB VAL 8 -0.125 3.396 -7.084 62 1HG1 VAL 8 1HG1 VAL 8 1.226 5.291 -6.859 63 2HG1 VAL 8 2HG1 VAL 8 0.911 5.439 -5.108 64 3HG1 VAL 8 3HG1 VAL 8 1.866 4.076 -5.752 65 1HG2 VAL 8 1HG2 VAL 8 -0.517 3.478 -4.052 66 2HG2 VAL 8 2HG2 VAL 8 -1.234 2.283 -5.151 67 3HG2 VAL 8 3HG2 VAL 8 0.518 2.356 -4.931 68 H ASP 9 H ASP 9 -0.703 7.381 -6.366 69 HA ASP 9 HA ASP 9 -0.818 7.450 -9.348 70 1HB ASP 9 2HB ASP 9 -2.414 8.971 -7.763 71 2HB ASP 9 3HB ASP 9 -1.005 10.027 -7.866 72 H MET 10 H MET 10 1.218 6.284 -8.646 73 HA MET 10 HA MET 10 3.237 7.929 -9.772 74 1HB MET 10 2HB MET 10 4.995 7.347 -8.071 75 2HB MET 10 3HB MET 10 3.817 8.539 -7.507 76 1HG MET 10 2HG MET 10 2.646 6.829 -6.211 77 2HG MET 10 3HG MET 10 3.738 5.573 -6.810 78 1HE MET 10 1HE MET 10 4.212 4.716 -4.443 79 2HE MET 10 2HE MET 10 4.694 5.734 -3.067 80 3HE MET 10 3HE MET 10 3.066 5.900 -3.766 81 H THR 11 H THR 11 4.872 6.498 -10.679 82 HA THR 11 HA THR 11 4.712 3.646 -10.128 83 HB THR 11 HB THR 11 2.921 3.989 -11.744 84 HG1 THR 11 1HG THR 11 3.316 2.118 -12.534 85 1HG2 THR 11 1HG2 THR 11 3.486 4.418 -14.067 86 2HG2 THR 11 2HG2 THR 11 4.055 5.761 -13.038 87 3HG2 THR 11 3HG2 THR 11 5.209 4.547 -13.639 88 H CYS 12 H CYS 12 6.560 5.820 -9.667 89 HA CYS 12 HA CYS 12 8.637 5.663 -11.744 90 1HB CYS 12 2HB CYS 12 7.980 7.805 -10.764 91 2HB CYS 12 3HB CYS 12 8.506 7.265 -9.154 92 HG CYS 12 HG CYS 12 10.965 6.817 -9.744 93 H GLY 13 H GLY 13 8.637 3.252 -11.138 94 1HA GLY 13 2HA GLY 13 9.789 1.432 -10.363 95 2HA GLY 13 3HA GLY 13 11.179 2.515 -10.469 96 H GLY 14 H GLY 14 11.701 3.775 -8.498 97 1HA GLY 14 2HA GLY 14 11.818 2.145 -6.121 98 2HA GLY 14 3HA GLY 14 12.373 3.823 -6.295 99 H CYS 15 H CYS 15 9.422 4.296 -7.378 100 HA CYS 15 HA CYS 15 7.944 5.034 -5.103 101 1HB CYS 15 2HB CYS 15 5.979 4.814 -6.450 102 2HB CYS 15 3HB CYS 15 7.280 5.477 -7.457 103 HG CYS 15 HG CYS 15 5.996 2.431 -7.242 104 H ALA 16 H ALA 16 8.394 1.804 -6.618 105 HA ALA 16 HA ALA 16 6.544 0.474 -4.886 106 1HB ALA 16 1HB ALA 16 7.537 -1.595 -5.785 107 2HB ALA 16 2HB ALA 16 7.226 -0.440 -7.096 108 3HB ALA 16 3HB ALA 16 8.881 -0.674 -6.489 109 H GLU 17 H GLU 17 10.156 0.912 -4.781 110 HA GLU 17 HA GLU 17 10.591 -0.479 -2.375 111 1HB GLU 17 2HB GLU 17 11.913 1.945 -3.647 112 2HB GLU 17 3HB GLU 17 12.463 1.258 -2.130 113 1HG GLU 17 2HG GLU 17 11.986 -0.806 -4.239 114 2HG GLU 17 3HG GLU 17 13.204 0.391 -4.651 115 H ALA 18 H ALA 18 9.502 2.923 -2.869 116 HA ALA 18 HA ALA 18 9.619 3.663 -0.132 117 1HB ALA 18 1HB ALA 18 9.243 5.275 -1.964 118 2HB ALA 18 2HB ALA 18 7.610 4.626 -2.216 119 3HB ALA 18 3HB ALA 18 8.015 5.424 -0.688 120 H VAL 19 H VAL 19 6.835 2.410 -1.991 121 HA VAL 19 HA VAL 19 5.010 2.194 0.168 122 HB VAL 19 HB VAL 19 5.208 0.718 -2.480 123 1HG1 VAL 19 1HG1 VAL 19 2.917 0.849 -0.474 124 2HG1 VAL 19 2HG1 VAL 19 2.810 0.210 -2.130 125 3HG1 VAL 19 3HG1 VAL 19 3.817 -0.619 -0.955 126 1HG2 VAL 19 1HG2 VAL 19 3.463 2.305 -3.173 127 2HG2 VAL 19 2HG2 VAL 19 3.457 3.049 -1.562 128 3HG2 VAL 19 3HG2 VAL 19 4.878 3.202 -2.607 129 H SER 20 H SER 20 7.105 -0.283 -1.316 130 HA SER 20 HA SER 20 6.400 -2.468 0.299 131 1HB SER 20 2HB SER 20 7.740 -2.613 -1.817 132 2HB SER 20 3HB SER 20 9.044 -1.681 -1.068 133 HG SER 20 HG SER 20 9.614 -3.797 -1.040 134 H ARG 21 H ARG 21 9.120 -0.163 0.764 135 HA ARG 21 HA ARG 21 10.016 -1.403 3.143 136 1HB ARG 21 2HB ARG 21 10.415 1.414 2.075 137 2HB ARG 21 3HB ARG 21 11.241 0.760 3.503 138 1HG ARG 21 2HG ARG 21 12.209 -1.073 2.164 139 2HG ARG 21 3HG ARG 21 11.391 -0.500 0.716 140 1HD ARG 21 2HD ARG 21 12.616 1.701 0.976 141 2HD ARG 21 3HD ARG 21 13.521 0.941 2.310 142 HE ARG 21 HE ARG 21 13.491 -0.436 -0.348 143 1HH1 ARG 21 2HH2 ARG 21 15.307 1.728 1.779 144 2HH1 ARG 21 1HH2 ARG 21 16.819 1.497 0.955 145 1HH2 ARG 21 2HH1 ARG 21 15.430 -0.569 -1.571 146 2HH2 ARG 21 1HH1 ARG 21 16.901 0.089 -0.946 147 H VAL 22 H VAL 22 7.697 1.497 2.777 148 HA VAL 22 HA VAL 22 7.467 1.718 5.545 149 HB VAL 22 HB VAL 22 6.934 3.456 3.894 150 1HG1 VAL 22 1HG1 VAL 22 5.583 2.178 2.310 151 2HG1 VAL 22 2HG1 VAL 22 4.335 1.925 3.559 152 3HG1 VAL 22 3HG1 VAL 22 4.672 3.549 2.933 153 1HG2 VAL 22 1HG2 VAL 22 5.027 4.326 5.133 154 2HG2 VAL 22 2HG2 VAL 22 4.705 2.703 5.773 155 3HG2 VAL 22 3HG2 VAL 22 6.215 3.552 6.225 156 H LEU 23 H LEU 23 5.440 -0.274 3.196 157 HA LEU 23 HA LEU 23 3.747 -1.174 5.284 158 1HB LEU 23 2HB LEU 23 4.371 -2.197 2.510 159 2HB LEU 23 3HB LEU 23 3.460 -3.173 3.630 160 HG LEU 23 HG LEU 23 1.795 -2.217 2.531 161 1HD1 LEU 23 1HD1 LEU 23 0.566 -0.670 3.903 162 2HD1 LEU 23 2HD1 LEU 23 1.486 -1.718 4.994 163 3HD1 LEU 23 3HD1 LEU 23 2.024 -0.052 4.658 164 1HD2 LEU 23 1HD2 LEU 23 3.074 -0.786 1.165 165 2HD2 LEU 23 2HD2 LEU 23 1.602 0.040 1.719 166 3HD2 LEU 23 3HD2 LEU 23 3.173 0.445 2.448 167 H ASN 24 H ASN 24 6.819 -2.553 4.114 168 HA ASN 24 HA ASN 24 6.819 -4.844 5.804 169 1HB ASN 24 2HB ASN 24 8.460 -4.654 4.070 170 2HB ASN 24 3HB ASN 24 8.961 -3.059 4.606 171 1HD2 ASN 24 1HD2 ASN 24 10.005 -2.820 6.625 172 2HD2 ASN 24 2HD2 ASN 24 11.057 -4.113 7.235 173 H LYS 25 H LYS 25 7.968 -1.494 6.326 174 HA LYS 25 HA LYS 25 8.989 -1.780 8.932 175 1HB LYS 25 2HB LYS 25 7.875 0.537 7.319 176 2HB LYS 25 3HB LYS 25 8.252 0.784 9.015 177 1HG LYS 25 2HG LYS 25 10.298 -0.376 7.087 178 2HG LYS 25 3HG LYS 25 10.063 1.364 7.307 179 1HD LYS 25 2HD LYS 25 10.474 1.140 9.743 180 2HD LYS 25 3HD LYS 25 10.770 -0.597 9.545 181 1HE LYS 25 2HE LYS 25 12.677 -0.098 8.018 182 2HE LYS 25 3HE LYS 25 12.385 1.638 8.221 183 1HZ LYS 25 1HZ LYS 25 14.133 0.862 9.650 184 2HZ LYS 25 2HZ LYS 25 12.869 1.383 10.561 185 3HZ LYS 25 3HZ LYS 25 13.142 -0.230 10.374 186 H LEU 26 H LEU 26 5.658 -1.120 7.867 187 HA LEU 26 HA LEU 26 4.509 -0.550 10.298 188 1HB LEU 26 2HB LEU 26 3.470 -0.808 7.944 189 2HB LEU 26 3HB LEU 26 3.250 -2.496 8.301 190 HG LEU 26 HG LEU 26 1.374 -0.704 8.648 191 1HD1 LEU 26 1HD1 LEU 26 1.717 -2.978 10.611 192 2HD1 LEU 26 2HD1 LEU 26 0.201 -2.153 10.177 193 3HD1 LEU 26 3HD1 LEU 26 1.069 -3.099 8.957 194 1HD2 LEU 26 1HD2 LEU 26 2.624 0.650 10.403 195 2HD2 LEU 26 2HD2 LEU 26 1.044 0.077 10.917 196 3HD2 LEU 26 3HD2 LEU 26 2.488 -0.746 11.489 197 H GLY 27 H GLY 27 5.424 -3.748 9.041 198 1HA GLY 27 2HA GLY 27 6.007 -4.789 11.522 199 2HA GLY 27 3HA GLY 27 4.283 -5.167 11.314 200 H GLY 28 H GLY 28 3.657 -6.700 9.754 201 1HA GLY 28 2HA GLY 28 5.728 -8.171 8.215 202 2HA GLY 28 3HA GLY 28 4.866 -9.049 9.497 203 H VAL 29 H VAL 29 3.685 -6.444 7.394 204 HA VAL 29 HA VAL 29 1.269 -7.904 6.793 205 HB VAL 29 HB VAL 29 1.588 -5.353 7.123 206 1HG1 VAL 29 1HG1 VAL 29 3.535 -5.250 5.455 207 2HG1 VAL 29 2HG1 VAL 29 2.252 -5.389 4.197 208 3HG1 VAL 29 3HG1 VAL 29 2.264 -4.019 5.335 209 1HG2 VAL 29 1HG2 VAL 29 -0.548 -6.102 6.374 210 2HG2 VAL 29 2HG2 VAL 29 -0.055 -4.785 5.315 211 3HG2 VAL 29 3HG2 VAL 29 0.056 -6.452 4.735 212 H LYS 30 H LYS 30 0.721 -8.917 4.831 213 HA LYS 30 HA LYS 30 2.771 -9.096 2.697 214 1HB LYS 30 2HB LYS 30 1.876 -11.149 2.954 215 2HB LYS 30 3HB LYS 30 0.255 -10.568 3.312 216 1HG LYS 30 2HG LYS 30 0.445 -11.694 1.111 217 2HG LYS 30 3HG LYS 30 -0.184 -10.052 1.034 218 1HD LYS 30 2HD LYS 30 1.980 -9.192 0.182 219 2HD LYS 30 3HD LYS 30 2.752 -10.736 0.493 220 1HE LYS 30 2HE LYS 30 2.101 -10.044 -1.845 221 2HE LYS 30 3HE LYS 30 1.695 -11.712 -1.366 222 1HZ LYS 30 1HZ LYS 30 -0.633 -11.064 -1.214 223 2HZ LYS 30 2HZ LYS 30 -0.251 -9.455 -1.391 224 3HZ LYS 30 3HZ LYS 30 0.007 -10.385 -2.612 225 H TYR 31 H TYR 31 2.922 -7.392 1.559 226 HA TYR 31 HA TYR 31 0.595 -5.771 0.643 227 1HB TYR 31 2HB TYR 31 2.277 -3.989 0.322 228 2HB TYR 31 3HB TYR 31 2.130 -4.490 2.002 229 HD1 TYR 31 HD1 TYR 31 4.037 -5.607 3.167 230 HD2 TYR 31 HD2 TYR 31 4.270 -4.726 -1.022 231 HE1 TYR 31 HE1 TYR 31 6.459 -5.921 3.266 232 HE2 TYR 31 HE2 TYR 31 6.730 -5.073 -0.942 233 HH TYR 31 HH TYR 31 8.550 -5.009 0.606 234 H ASP 32 H ASP 32 0.487 -5.333 -1.623 235 HA ASP 32 HA ASP 32 2.473 -6.610 -3.440 236 1HB ASP 32 2HB ASP 32 -0.474 -6.056 -3.826 237 2HB ASP 32 3HB ASP 32 0.563 -6.883 -4.958 238 H ILE 33 H ILE 33 2.939 -5.237 -5.267 239 HA ILE 33 HA ILE 33 1.682 -2.543 -5.367 240 HB ILE 33 HB ILE 33 4.646 -2.957 -5.800 241 1HG1 ILE 33 2HG1 ILE 33 4.568 -1.370 -3.648 242 2HG1 ILE 33 3HG1 ILE 33 3.139 -2.306 -3.257 243 1HG2 ILE 33 1HG2 ILE 33 2.967 -0.447 -5.406 244 2HG2 ILE 33 2HG2 ILE 33 4.693 -0.548 -5.805 245 3HG2 ILE 33 3HG2 ILE 33 3.485 -1.067 -6.985 246 1HD1 ILE 33 1HD1 ILE 33 5.886 -3.465 -3.920 247 2HD1 ILE 33 2HD1 ILE 33 5.279 -3.176 -2.284 248 3HD1 ILE 33 3HD1 ILE 33 4.494 -4.396 -3.310 249 H ASP 34 H ASP 34 0.719 -2.475 -7.362 250 HA ASP 34 HA ASP 34 1.931 -3.973 -9.645 251 1HB ASP 34 2HB ASP 34 -0.433 -4.519 -9.120 252 2HB ASP 34 3HB ASP 34 -0.861 -2.824 -9.424 253 H LEU 35 H LEU 35 3.167 -2.733 -10.850 254 HA LEU 35 HA LEU 35 3.239 0.140 -10.566 255 1HB LEU 35 2HB LEU 35 4.778 -1.855 -12.258 256 2HB LEU 35 3HB LEU 35 4.988 -0.120 -12.448 257 HG LEU 35 HG LEU 35 6.718 -1.158 -11.107 258 1HD1 LEU 35 1HD1 LEU 35 5.087 0.745 -9.386 259 2HD1 LEU 35 2HD1 LEU 35 6.836 0.450 -9.330 260 3HD1 LEU 35 3HD1 LEU 35 6.122 1.223 -10.751 261 1HD2 LEU 35 1HD2 LEU 35 4.646 -1.710 -8.953 262 2HD2 LEU 35 2HD2 LEU 35 5.367 -2.943 -10.013 263 3HD2 LEU 35 3HD2 LEU 35 6.384 -2.029 -8.888 264 HA PRO 36 HA PRO 36 1.922 0.341 -15.134 265 1HB PRO 36 2HB PRO 36 0.493 -1.731 -16.296 266 2HB PRO 36 3HB PRO 36 2.261 -1.509 -16.412 267 1HG PRO 36 2HG PRO 36 0.744 -3.263 -14.470 268 2HG PRO 36 3HG PRO 36 2.169 -3.696 -15.455 269 1HD PRO 36 2HD PRO 36 2.446 -3.016 -12.893 270 2HD PRO 36 3HD PRO 36 3.605 -2.381 -14.098 271 H ASN 37 H ASN 37 -0.303 -1.651 -13.052 272 HA ASN 37 HA ASN 37 -2.615 -0.094 -13.982 273 1HB ASN 37 2HB ASN 37 -2.417 -2.111 -11.716 274 2HB ASN 37 3HB ASN 37 -3.881 -1.388 -12.367 275 1HD2 ASN 37 1HD2 ASN 37 -1.196 -3.591 -13.141 276 2HD2 ASN 37 2HD2 ASN 37 -2.037 -4.412 -14.458 277 H LYS 38 H LYS 38 -0.075 0.570 -11.816 278 HA LYS 38 HA LYS 38 0.229 2.058 -10.150 279 1HB LYS 38 2HB LYS 38 -2.274 3.440 -11.181 280 2HB LYS 38 3HB LYS 38 -0.903 4.097 -10.253 281 1HG LYS 38 2HG LYS 38 0.554 4.052 -12.090 282 2HG LYS 38 3HG LYS 38 -0.499 2.993 -13.033 283 1HD LYS 38 2HD LYS 38 -0.599 5.280 -13.851 284 2HD LYS 38 3HD LYS 38 -2.174 4.710 -13.322 285 1HE LYS 38 2HE LYS 38 -0.352 6.490 -11.604 286 2HE LYS 38 3HE LYS 38 -1.539 7.119 -12.746 287 1HZ LYS 38 1HZ LYS 38 -2.555 7.171 -10.752 288 2HZ LYS 38 2HZ LYS 38 -3.249 5.867 -11.458 289 3HZ LYS 38 3HZ LYS 38 -2.126 5.682 -10.251 290 H LYS 39 H LYS 39 -0.725 -0.132 -9.085 291 HA LYS 39 HA LYS 39 -2.785 0.774 -7.137 292 1HB LYS 39 2HB LYS 39 -2.824 -1.815 -8.746 293 2HB LYS 39 3HB LYS 39 -3.596 -1.643 -7.166 294 1HG LYS 39 2HG LYS 39 -4.981 0.228 -8.026 295 2HG LYS 39 3HG LYS 39 -4.248 0.020 -9.623 296 1HD LYS 39 2HD LYS 39 -6.416 -1.087 -9.550 297 2HD LYS 39 3HD LYS 39 -5.132 -2.296 -9.740 298 1HE LYS 39 2HE LYS 39 -5.297 -2.918 -7.351 299 2HE LYS 39 3HE LYS 39 -6.417 -1.584 -7.042 300 1HZ LYS 39 1HZ LYS 39 -7.446 -3.699 -7.197 301 2HZ LYS 39 2HZ LYS 39 -8.024 -2.747 -8.400 302 3HZ LYS 39 3HZ LYS 39 -6.930 -3.954 -8.721 303 H VAL 40 H VAL 40 -2.801 -0.377 -5.136 304 HA VAL 40 HA VAL 40 -0.614 -2.245 -4.601 305 HB VAL 40 HB VAL 40 -1.509 0.330 -3.234 306 1HG1 VAL 40 1HG1 VAL 40 -0.471 -2.087 -1.736 307 2HG1 VAL 40 2HG1 VAL 40 -0.549 -0.422 -1.094 308 3HG1 VAL 40 3HG1 VAL 40 -2.042 -1.250 -1.573 309 1HG2 VAL 40 1HG2 VAL 40 0.553 0.138 -4.612 310 2HG2 VAL 40 2HG2 VAL 40 0.801 0.713 -2.950 311 3HG2 VAL 40 3HG2 VAL 40 1.209 -0.971 -3.393 312 H CYS 41 H CYS 41 -1.347 -3.953 -3.398 313 HA CYS 41 HA CYS 41 -4.045 -3.724 -2.282 314 1HB CYS 41 2HB CYS 41 -4.750 -5.862 -2.804 315 2HB CYS 41 3HB CYS 41 -4.466 -5.034 -4.332 316 HG CYS 41 HG CYS 41 -2.236 -7.068 -2.881 317 H ILE 42 H ILE 42 -4.238 -4.840 -0.319 318 HA ILE 42 HA ILE 42 -1.695 -5.937 0.759 319 HB ILE 42 HB ILE 42 -3.392 -3.891 2.235 320 1HG1 ILE 42 2HG1 ILE 42 -0.767 -3.489 0.713 321 2HG1 ILE 42 3HG1 ILE 42 -2.330 -2.752 0.328 322 1HG2 ILE 42 1HG2 ILE 42 -0.619 -5.056 2.752 323 2HG2 ILE 42 2HG2 ILE 42 -1.478 -3.908 3.786 324 3HG2 ILE 42 3HG2 ILE 42 -2.107 -5.536 3.602 325 1HD1 ILE 42 1HD1 ILE 42 -0.619 -2.177 2.746 326 2HD1 ILE 42 2HD1 ILE 42 -1.026 -1.098 1.407 327 3HD1 ILE 42 3HD1 ILE 42 -2.288 -1.592 2.555 328 H GLU 43 H GLU 43 -2.006 -7.609 2.123 329 HA GLU 43 HA GLU 43 -4.791 -8.731 2.315 330 1HB GLU 43 2HB GLU 43 -3.741 -8.964 0.073 331 2HB GLU 43 3HB GLU 43 -2.297 -9.615 0.824 332 1HG GLU 43 2HG GLU 43 -3.580 -11.658 1.438 333 2HG GLU 43 3HG GLU 43 -4.994 -10.992 0.596 334 H SER 44 H SER 44 -4.533 -8.528 4.642 335 HA SER 44 HA SER 44 -2.715 -10.389 5.933 336 1HB SER 44 2HB SER 44 -1.198 -8.484 5.360 337 2HB SER 44 3HB SER 44 -2.345 -7.377 6.142 338 HG SER 44 HG SER 44 -0.822 -9.439 7.390 339 H GLU 45 H GLU 45 -3.041 -10.321 8.261 340 HA GLU 45 HA GLU 45 -5.600 -9.942 9.316 341 1HB GLU 45 2HB GLU 45 -2.873 -9.842 10.673 342 2HB GLU 45 3HB GLU 45 -4.428 -10.063 11.489 343 1HG GLU 45 2HG GLU 45 -4.810 -12.168 10.269 344 2HG GLU 45 3HG GLU 45 -3.275 -11.989 9.405 345 H HIS 46 H HIS 46 -2.984 -7.587 8.812 346 HA HIS 46 HA HIS 46 -3.588 -5.794 10.873 347 1HB HIS 46 2HB HIS 46 -2.301 -5.379 8.164 348 2HB HIS 46 3HB HIS 46 -2.485 -4.056 9.312 349 HD1 HIS 46 1HD HIS 46 -1.244 -4.478 11.805 350 HD2 HIS 46 2HD HIS 46 -0.031 -6.714 8.460 351 HE1 HIS 46 1HE HIS 46 1.118 -5.302 12.284 352 H SER 47 H SER 47 -4.504 -3.676 10.903 353 HA SER 47 HA SER 47 -7.206 -3.579 9.886 354 1HB SER 47 2HB SER 47 -7.175 -2.481 11.914 355 2HB SER 47 3HB SER 47 -5.500 -1.962 11.704 356 HG SER 47 HG SER 47 -7.779 -0.621 10.803 357 H MET 48 H MET 48 -8.062 -2.386 8.287 358 HA MET 48 HA MET 48 -6.688 -1.411 6.017 359 1HB MET 48 2HB MET 48 -9.317 -0.414 7.244 360 2HB MET 48 3HB MET 48 -8.760 -0.166 5.578 361 1HG MET 48 2HG MET 48 -8.665 -2.680 5.385 362 2HG MET 48 3HG MET 48 -9.591 -2.778 6.887 363 1HE MET 48 1HE MET 48 -11.553 -0.174 6.434 364 2HE MET 48 2HE MET 48 -12.960 -1.032 5.774 365 3HE MET 48 3HE MET 48 -12.056 -1.733 7.138 366 H ASP 49 H ASP 49 -7.750 0.138 9.034 367 HA ASP 49 HA ASP 49 -7.332 2.816 8.275 368 1HB ASP 49 2HB ASP 49 -7.288 1.851 11.154 369 2HB ASP 49 3HB ASP 49 -8.001 3.311 10.480 370 H THR 50 H THR 50 -5.578 0.630 10.350 371 HA THR 50 HA THR 50 -3.300 2.182 10.953 372 HB THR 50 HB THR 50 -3.447 -0.843 10.556 373 HG1 THR 50 1HG THR 50 -4.216 0.892 12.641 374 1HG2 THR 50 1HG2 THR 50 -1.148 -0.062 10.808 375 2HG2 THR 50 2HG2 THR 50 -1.585 0.892 12.245 376 3HG2 THR 50 3HG2 THR 50 -1.670 -0.882 12.289 377 H LEU 51 H LEU 51 -3.763 -0.164 8.217 378 HA LEU 51 HA LEU 51 -1.178 0.295 7.098 379 1HB LEU 51 2HB LEU 51 -3.753 -0.529 5.707 380 2HB LEU 51 3HB LEU 51 -2.126 -0.591 4.991 381 HG LEU 51 HG LEU 51 -2.787 -2.020 7.604 382 1HD1 LEU 51 1HD1 LEU 51 -4.446 -2.848 6.073 383 2HD1 LEU 51 2HD1 LEU 51 -3.261 -3.020 4.776 384 3HD1 LEU 51 3HD1 LEU 51 -3.183 -4.082 6.202 385 1HD2 LEU 51 1HD2 LEU 51 -0.691 -2.537 5.482 386 2HD2 LEU 51 2HD2 LEU 51 -0.405 -1.794 7.065 387 3HD2 LEU 51 3HD2 LEU 51 -0.934 -3.472 6.980 388 H LEU 52 H LEU 52 -4.350 1.676 6.220 389 HA LEU 52 HA LEU 52 -3.639 3.426 4.199 390 1HB LEU 52 2HB LEU 52 -5.738 3.386 6.329 391 2HB LEU 52 3HB LEU 52 -5.438 4.967 5.645 392 HG LEU 52 HG LEU 52 -6.086 2.536 3.957 393 1HD1 LEU 52 1HD1 LEU 52 -7.937 4.695 5.026 394 2HD1 LEU 52 2HD1 LEU 52 -8.370 3.442 3.840 395 3HD1 LEU 52 3HD1 LEU 52 -7.927 2.978 5.488 396 1HD2 LEU 52 1HD2 LEU 52 -6.104 5.562 3.438 397 2HD2 LEU 52 2HD2 LEU 52 -4.947 4.417 2.734 398 3HD2 LEU 52 3HD2 LEU 52 -6.646 4.345 2.280 399 H ALA 53 H ALA 53 -3.764 4.303 7.694 400 HA ALA 53 HA ALA 53 -2.610 6.862 7.321 401 1HB ALA 53 1HB ALA 53 -2.184 6.782 9.767 402 2HB ALA 53 2HB ALA 53 -3.807 6.175 9.378 403 3HB ALA 53 3HB ALA 53 -2.507 5.032 9.770 404 H THR 54 H THR 54 -1.050 3.774 8.192 405 HA THR 54 HA THR 54 1.570 4.738 8.528 406 HB THR 54 HB THR 54 0.553 2.047 7.524 407 HG1 THR 54 1HG THR 54 -0.083 2.413 9.554 408 1HG2 THR 54 1HG2 THR 54 2.828 1.260 8.281 409 2HG2 THR 54 2HG2 THR 54 2.796 2.171 6.780 410 3HG2 THR 54 3HG2 THR 54 3.353 2.951 8.288 411 H LEU 55 H LEU 55 0.089 3.444 5.484 412 HA LEU 55 HA LEU 55 2.540 3.905 4.044 413 1HB LEU 55 2HB LEU 55 1.455 3.007 2.199 414 2HB LEU 55 3HB LEU 55 1.095 2.063 3.613 415 HG LEU 55 HG LEU 55 -1.135 3.493 3.636 416 1HD1 LEU 55 1HD1 LEU 55 -0.161 4.876 1.750 417 2HD1 LEU 55 2HD1 LEU 55 -0.289 3.446 0.740 418 3HD1 LEU 55 3HD1 LEU 55 -1.776 4.192 1.422 419 1HD2 LEU 55 1HD2 LEU 55 -1.008 1.037 3.308 420 2HD2 LEU 55 2HD2 LEU 55 -2.130 1.756 2.130 421 3HD2 LEU 55 3HD2 LEU 55 -0.498 1.288 1.620 422 H LYS 56 H LYS 56 -0.569 5.605 4.273 423 HA LYS 56 HA LYS 56 -0.028 7.695 2.465 424 1HB LYS 56 2HB LYS 56 -1.697 7.582 5.016 425 2HB LYS 56 3HB LYS 56 -1.519 9.075 4.115 426 1HG LYS 56 2HG LYS 56 -2.181 7.935 2.021 427 2HG LYS 56 3HG LYS 56 -2.531 6.455 2.925 428 1HD LYS 56 2HD LYS 56 -4.315 7.472 4.109 429 2HD LYS 56 3HD LYS 56 -3.768 9.118 3.706 430 1HE LYS 56 2HE LYS 56 -4.152 8.748 1.301 431 2HE LYS 56 3HE LYS 56 -4.626 7.065 1.601 432 1HZ LYS 56 1HZ LYS 56 -6.129 9.473 2.381 433 2HZ LYS 56 2HZ LYS 56 -6.412 8.456 1.109 434 3HZ LYS 56 3HZ LYS 56 -6.608 7.912 2.664 435 H LYS 57 H LYS 57 0.988 7.434 5.858 436 HA LYS 57 HA LYS 57 2.081 10.010 6.115 437 1HB LYS 57 2HB LYS 57 2.391 7.358 7.376 438 2HB LYS 57 3HB LYS 57 3.688 8.537 7.737 439 1HG LYS 57 2HG LYS 57 1.862 10.150 8.416 440 2HG LYS 57 3HG LYS 57 0.687 8.849 8.198 441 1HD LYS 57 2HD LYS 57 3.040 8.914 10.151 442 2HD LYS 57 3HD LYS 57 1.328 9.133 10.557 443 1HE LYS 57 2HE LYS 57 0.883 6.795 9.690 444 2HE LYS 57 3HE LYS 57 2.634 6.586 9.469 445 1HZ LYS 57 1HZ LYS 57 2.913 6.898 11.820 446 2HZ LYS 57 2HZ LYS 57 1.289 7.081 12.035 447 3HZ LYS 57 3HZ LYS 57 1.894 5.646 11.510 448 H THR 58 H THR 58 3.284 7.601 3.884 449 HA THR 58 HA THR 58 5.997 8.573 3.765 450 HB THR 58 HB THR 58 5.961 7.812 1.428 451 HG1 THR 58 1HG THR 58 3.300 6.975 1.864 452 1HG2 THR 58 1HG2 THR 58 6.455 6.226 3.197 453 2HG2 THR 58 2HG2 THR 58 4.731 5.870 3.399 454 3HG2 THR 58 3HG2 THR 58 5.557 5.444 1.876 455 H GLY 59 H GLY 59 2.919 9.903 2.809 456 1HA GLY 59 2HA GLY 59 2.411 12.071 2.330 457 2HA GLY 59 3HA GLY 59 4.108 12.436 1.969 458 H LYS 60 H LYS 60 2.588 9.605 0.482 459 HA LYS 60 HA LYS 60 2.813 10.900 -2.190 460 1HB LYS 60 2HB LYS 60 3.040 8.073 -1.120 461 2HB LYS 60 3HB LYS 60 2.743 8.382 -2.825 462 1HG LYS 60 2HG LYS 60 5.153 8.031 -2.194 463 2HG LYS 60 3HG LYS 60 4.807 9.499 -3.133 464 1HD LYS 60 2HD LYS 60 5.034 10.900 -1.221 465 2HD LYS 60 3HD LYS 60 5.037 9.488 -0.126 466 1HE LYS 60 2HE LYS 60 7.236 8.832 -0.918 467 2HE LYS 60 3HE LYS 60 7.238 10.134 -2.125 468 1HZ LYS 60 1HZ LYS 60 8.452 10.669 -0.050 469 2HZ LYS 60 2HZ LYS 60 7.239 11.732 -0.377 470 3HZ LYS 60 3HZ LYS 60 7.027 10.606 0.788 471 H THR 61 H THR 61 1.241 10.573 -3.793 472 HA THR 61 HA THR 61 -1.419 10.706 -3.032 473 HB THR 61 HB THR 61 -0.308 10.053 -5.749 474 HG1 THR 61 1HG THR 61 0.360 12.220 -5.902 475 1HG2 THR 61 1HG2 THR 61 -2.758 10.554 -5.556 476 2HG2 THR 61 2HG2 THR 61 -2.362 12.114 -4.794 477 3HG2 THR 61 3HG2 THR 61 -1.926 11.813 -6.489 478 H VAL 62 H VAL 62 -1.165 8.519 -1.822 479 HA VAL 62 HA VAL 62 -2.400 6.385 -3.531 480 HB VAL 62 HB VAL 62 -0.301 5.550 -2.862 481 1HG1 VAL 62 1HG1 VAL 62 0.359 7.053 -1.088 482 2HG1 VAL 62 2HG1 VAL 62 -0.914 6.425 -0.016 483 3HG1 VAL 62 3HG1 VAL 62 0.456 5.399 -0.514 484 1HG2 VAL 62 1HG2 VAL 62 -2.291 4.375 -0.872 485 2HG2 VAL 62 2HG2 VAL 62 -2.247 3.982 -2.597 486 3HG2 VAL 62 3HG2 VAL 62 -0.864 3.588 -1.569 487 H SER 63 H SER 63 -4.252 5.322 -2.790 488 HA SER 63 HA SER 63 -5.240 5.768 -0.123 489 1HB SER 63 2HB SER 63 -6.534 7.252 -2.435 490 2HB SER 63 3HB SER 63 -7.513 6.718 -1.066 491 HG SER 63 HG SER 63 -5.135 8.242 -0.825 492 H TYR 64 H TYR 64 -7.348 4.744 0.197 493 HA TYR 64 HA TYR 64 -7.231 2.018 -0.820 494 1HB TYR 64 2HB TYR 64 -7.380 2.232 1.518 495 2HB TYR 64 3HB TYR 64 -8.583 3.519 1.411 496 HD1 TYR 64 HD1 TYR 64 -10.926 3.123 1.089 497 HD2 TYR 64 HD2 TYR 64 -8.121 -0.143 1.384 498 HE1 TYR 64 HE1 TYR 64 -12.777 1.593 1.636 499 HE2 TYR 64 HE2 TYR 64 -9.984 -1.659 2.030 500 HH TYR 64 HH TYR 64 -13.371 -0.522 2.273 501 H LEU 65 H LEU 65 -8.727 1.085 -2.151 502 HA LEU 65 HA LEU 65 -11.467 2.026 -2.227 503 1HB LEU 65 2HB LEU 65 -11.410 1.877 -4.806 504 2HB LEU 65 3HB LEU 65 -11.079 3.368 -3.956 505 HG LEU 65 HG LEU 65 -9.652 2.946 -5.875 506 1HD1 LEU 65 1HD1 LEU 65 -9.049 4.435 -3.932 507 2HD1 LEU 65 2HD1 LEU 65 -7.842 3.180 -3.583 508 3HD1 LEU 65 3HD1 LEU 65 -7.820 4.018 -5.131 509 1HD2 LEU 65 1HD2 LEU 65 -9.272 0.580 -5.831 510 2HD2 LEU 65 2HD2 LEU 65 -7.753 1.462 -5.871 511 3HD2 LEU 65 3HD2 LEU 65 -8.299 0.734 -4.350 512 H GLY 66 H GLY 66 -11.406 -0.134 -1.047 513 1HA GLY 66 2HA GLY 66 -13.114 -1.778 -2.048 514 2HA GLY 66 3HA GLY 66 -11.750 -2.383 -2.993 515 H LEU 67 H LEU 67 -13.347 -3.799 -0.923 516 HA LEU 67 HA LEU 67 -11.198 -4.701 0.858 517 1HB LEU 67 2HB LEU 67 -12.279 -3.445 2.458 518 2HB LEU 67 3HB LEU 67 -13.778 -3.357 1.528 519 HG LEU 67 HG LEU 67 -14.298 -5.703 2.189 520 1HD1 LEU 67 1HD1 LEU 67 -12.120 -5.208 4.272 521 2HD1 LEU 67 2HD1 LEU 67 -13.148 -6.649 4.149 522 3HD1 LEU 67 3HD1 LEU 67 -11.915 -6.337 2.918 523 1HD2 LEU 67 1HD2 LEU 67 -15.348 -3.772 3.257 524 2HD2 LEU 67 2HD2 LEU 67 -15.046 -5.040 4.456 525 3HD2 LEU 67 3HD2 LEU 67 -13.984 -3.617 4.385 526 H GLU 68 H GLU 68 -11.246 -6.988 0.878 527 HA GLU 68 HA GLU 68 -13.665 -8.403 0.007 528 1HB GLU 68 2HB GLU 68 -12.196 -7.951 -2.032 529 2HB GLU 68 3HB GLU 68 -10.911 -8.870 -1.236 530 1HG GLU 68 2HG GLU 68 -12.351 -10.878 -1.232 531 2HG GLU 68 3HG GLU 68 -13.672 -9.945 -1.960 Start of MODEL 10 1 1H MET 1 H1 MET 1 -8.157 -11.946 8.147 2 2H MET 1 H2 MET 1 -6.692 -11.310 7.827 3 3H MET 1 H3 MET 1 -7.214 -11.219 9.318 4 HA MET 1 HA MET 1 -9.053 -9.724 8.592 5 1HB MET 1 2HB MET 1 -6.175 -9.110 8.021 6 2HB MET 1 3HB MET 1 -7.334 -7.976 7.354 7 1HG MET 1 2HG MET 1 -6.597 -7.176 9.491 8 2HG MET 1 3HG MET 1 -8.310 -7.586 9.572 9 1HE MET 1 1HE MET 1 -6.644 -6.945 12.125 10 2HE MET 1 2HE MET 1 -8.353 -7.449 12.162 11 3HE MET 1 3HE MET 1 -7.164 -8.256 13.213 12 HA PRO 2 HA PRO 2 -10.161 -10.037 4.250 13 1HB PRO 2 2HB PRO 2 -11.109 -7.564 3.628 14 2HB PRO 2 3HB PRO 2 -12.002 -8.676 4.709 15 1HG PRO 2 2HG PRO 2 -10.129 -6.413 5.481 16 2HG PRO 2 3HG PRO 2 -11.777 -6.710 6.110 17 1HD PRO 2 2HD PRO 2 -9.581 -7.524 7.458 18 2HD PRO 2 3HD PRO 2 -11.019 -8.581 7.385 19 H LYS 3 H LYS 3 -9.792 -8.896 2.141 20 HA LYS 3 HA LYS 3 -7.034 -7.850 1.877 21 1HB LYS 3 2HB LYS 3 -7.984 -9.530 0.353 22 2HB LYS 3 3HB LYS 3 -9.211 -8.336 -0.162 23 1HG LYS 3 2HG LYS 3 -7.444 -6.902 -1.103 24 2HG LYS 3 3HG LYS 3 -6.252 -8.145 -0.711 25 1HD LYS 3 2HD LYS 3 -8.645 -8.396 -2.625 26 2HD LYS 3 3HD LYS 3 -6.941 -8.316 -3.036 27 1HE LYS 3 2HE LYS 3 -7.440 -10.594 -3.236 28 2HE LYS 3 3HE LYS 3 -6.598 -10.455 -1.696 29 1HZ LYS 3 1HZ LYS 3 -9.230 -10.353 -0.931 30 2HZ LYS 3 2HZ LYS 3 -9.333 -11.222 -2.286 31 3HZ LYS 3 3HZ LYS 3 -8.309 -11.668 -1.004 32 H HIS 4 H HIS 4 -6.693 -5.733 1.009 33 HA HIS 4 HA HIS 4 -9.027 -4.030 0.460 34 1HB HIS 4 2HB HIS 4 -6.805 -3.409 2.442 35 2HB HIS 4 3HB HIS 4 -7.726 -2.136 1.647 36 HD1 HIS 4 1HD HIS 4 -10.617 -2.692 1.917 37 HD2 HIS 4 2HD HIS 4 -7.828 -4.125 4.741 38 HE1 HIS 4 1HE HIS 4 -11.920 -3.210 4.058 39 H GLU 5 H GLU 5 -8.676 -2.585 -1.181 40 HA GLU 5 HA GLU 5 -6.032 -2.745 -2.569 41 1HB GLU 5 2HB GLU 5 -8.840 -2.336 -3.676 42 2HB GLU 5 3HB GLU 5 -7.347 -2.100 -4.575 43 1HG GLU 5 2HG GLU 5 -6.860 -4.575 -3.696 44 2HG GLU 5 3HG GLU 5 -8.632 -4.632 -3.635 45 H PHE 6 H PHE 6 -5.161 -0.889 -3.411 46 HA PHE 6 HA PHE 6 -6.330 1.708 -2.613 47 1HB PHE 6 2HB PHE 6 -3.448 0.797 -2.153 48 2HB PHE 6 3HB PHE 6 -4.109 2.340 -1.666 49 HD1 PHE 6 1HD PHE 6 -5.244 2.549 0.529 50 HD2 PHE 6 2HD PHE 6 -4.142 -1.337 -1.014 51 HE1 PHE 6 1HE PHE 6 -5.959 1.478 2.629 52 HE2 PHE 6 2HE PHE 6 -4.777 -2.362 1.135 53 HZ PHE 6 HZ PHE 6 -5.654 -0.951 2.984 54 H SER 7 H SER 7 -5.918 3.300 -4.132 55 HA SER 7 HA SER 7 -4.434 2.512 -6.610 56 1HB SER 7 2HB SER 7 -6.718 3.511 -6.898 57 2HB SER 7 3HB SER 7 -6.091 5.013 -6.153 58 HG SER 7 HG SER 7 -5.952 4.996 -8.464 59 H VAL 8 H VAL 8 -2.550 3.645 -7.162 60 HA VAL 8 HA VAL 8 -1.339 5.410 -5.091 61 HB VAL 8 HB VAL 8 -0.324 2.739 -6.222 62 1HG1 VAL 8 1HG1 VAL 8 1.563 4.098 -5.927 63 2HG1 VAL 8 2HG1 VAL 8 0.929 4.845 -4.430 64 3HG1 VAL 8 3HG1 VAL 8 1.499 3.154 -4.448 65 1HG2 VAL 8 1HG2 VAL 8 -1.325 3.616 -3.473 66 2HG2 VAL 8 2HG2 VAL 8 -1.956 2.290 -4.476 67 3HG2 VAL 8 3HG2 VAL 8 -0.374 2.158 -3.714 68 H ASP 9 H ASP 9 -1.532 7.177 -6.635 69 HA ASP 9 HA ASP 9 -0.254 6.695 -9.231 70 1HB ASP 9 2HB ASP 9 -2.257 8.252 -8.979 71 2HB ASP 9 3HB ASP 9 -1.065 9.489 -8.548 72 H MET 10 H MET 10 1.757 6.062 -8.580 73 HA MET 10 HA MET 10 3.658 8.266 -8.597 74 1HB MET 10 2HB MET 10 5.032 7.002 -6.774 75 2HB MET 10 3HB MET 10 3.762 8.148 -6.309 76 1HG MET 10 2HG MET 10 2.193 6.255 -5.992 77 2HG MET 10 3HG MET 10 3.537 5.130 -6.243 78 1HE MET 10 1HE MET 10 5.582 6.012 -2.912 79 2HE MET 10 2HE MET 10 5.460 4.843 -4.241 80 3HE MET 10 3HE MET 10 5.878 6.549 -4.583 81 H THR 11 H THR 11 5.427 7.693 -9.838 82 HA THR 11 HA THR 11 5.672 4.910 -10.827 83 HB THR 11 HB THR 11 4.930 7.218 -12.680 84 HG1 THR 11 1HG THR 11 3.398 5.353 -11.272 85 1HG2 THR 11 1HG2 THR 11 4.506 5.387 -14.282 86 2HG2 THR 11 2HG2 THR 11 6.190 5.351 -13.736 87 3HG2 THR 11 3HG2 THR 11 5.018 4.186 -13.080 88 H CYS 12 H CYS 12 7.761 5.078 -9.892 89 HA CYS 12 HA CYS 12 9.728 6.258 -11.755 90 1HB CYS 12 2HB CYS 12 9.204 7.319 -8.994 91 2HB CYS 12 3HB CYS 12 10.903 7.063 -9.398 92 HG CYS 12 HG CYS 12 8.740 8.656 -11.281 93 H GLY 13 H GLY 13 8.708 3.549 -10.841 94 1HA GLY 13 2HA GLY 13 9.638 1.487 -10.505 95 2HA GLY 13 3HA GLY 13 11.256 2.202 -10.588 96 H GLY 14 H GLY 14 11.756 3.668 -8.613 97 1HA GLY 14 2HA GLY 14 11.735 2.138 -6.220 98 2HA GLY 14 3HA GLY 14 12.223 3.838 -6.370 99 H CYS 15 H CYS 15 9.200 4.069 -7.522 100 HA CYS 15 HA CYS 15 7.805 4.784 -5.156 101 1HB CYS 15 2HB CYS 15 5.755 4.497 -6.471 102 2HB CYS 15 3HB CYS 15 6.963 5.450 -7.351 103 HG CYS 15 HG CYS 15 5.388 3.757 -8.784 104 H ALA 16 H ALA 16 8.275 1.602 -6.768 105 HA ALA 16 HA ALA 16 6.558 0.149 -5.004 106 1HB ALA 16 1HB ALA 16 7.381 -0.748 -7.170 107 2HB ALA 16 2HB ALA 16 9.036 -0.794 -6.526 108 3HB ALA 16 3HB ALA 16 7.777 -1.832 -5.824 109 H GLU 17 H GLU 17 10.071 0.920 -4.847 110 HA GLU 17 HA GLU 17 10.578 -0.450 -2.407 111 1HB GLU 17 2HB GLU 17 11.881 2.041 -3.613 112 2HB GLU 17 3HB GLU 17 12.300 1.363 -2.054 113 1HG GLU 17 2HG GLU 17 12.653 -0.894 -3.285 114 2HG GLU 17 3HG GLU 17 12.665 0.086 -4.764 115 H ALA 18 H ALA 18 9.321 2.862 -3.025 116 HA ALA 18 HA ALA 18 9.438 3.741 -0.330 117 1HB ALA 18 1HB ALA 18 8.967 5.246 -2.233 118 2HB ALA 18 2HB ALA 18 7.372 4.486 -2.438 119 3HB ALA 18 3HB ALA 18 7.735 5.391 -0.959 120 H VAL 19 H VAL 19 6.733 2.206 -2.111 121 HA VAL 19 HA VAL 19 4.974 1.992 0.109 122 HB VAL 19 HB VAL 19 5.208 0.284 -2.400 123 1HG1 VAL 19 1HG1 VAL 19 3.958 -0.924 -0.604 124 2HG1 VAL 19 2HG1 VAL 19 2.930 0.517 -0.383 125 3HG1 VAL 19 3HG1 VAL 19 2.903 -0.410 -1.901 126 1HG2 VAL 19 1HG2 VAL 19 3.325 1.655 -3.199 127 2HG2 VAL 19 2HG2 VAL 19 3.333 2.593 -1.692 128 3HG2 VAL 19 3HG2 VAL 19 4.695 2.704 -2.819 129 H SER 20 H SER 20 7.271 -0.430 -1.278 130 HA SER 20 HA SER 20 6.663 -2.468 0.563 131 1HB SER 20 2HB SER 20 7.996 -2.823 -1.514 132 2HB SER 20 3HB SER 20 9.318 -1.858 -0.841 133 HG SER 20 HG SER 20 8.336 -4.313 0.232 134 H ARG 21 H ARG 21 9.181 0.067 0.837 135 HA ARG 21 HA ARG 21 10.190 -0.793 3.336 136 1HB ARG 21 2HB ARG 21 10.199 1.903 1.943 137 2HB ARG 21 3HB ARG 21 11.087 1.560 3.440 138 1HG ARG 21 2HG ARG 21 12.353 -0.221 2.379 139 2HG ARG 21 3HG ARG 21 11.433 -0.105 0.893 140 1HD ARG 21 2HD ARG 21 12.232 2.171 0.486 141 2HD ARG 21 3HD ARG 21 13.204 2.146 1.953 142 HE ARG 21 HE ARG 21 13.820 0.916 -0.659 143 1HH1 ARG 21 2HH2 ARG 21 14.488 0.579 2.783 144 2HH1 ARG 21 1HH2 ARG 21 16.051 -0.153 2.535 145 1HH2 ARG 21 2HH1 ARG 21 15.680 0.024 -1.017 146 2HH2 ARG 21 1HH1 ARG 21 16.796 -0.520 0.236 147 H VAL 22 H VAL 22 7.635 1.789 2.643 148 HA VAL 22 HA VAL 22 7.245 2.254 5.371 149 HB VAL 22 HB VAL 22 6.522 3.604 3.239 150 1HG1 VAL 22 1HG1 VAL 22 4.165 3.469 2.676 151 2HG1 VAL 22 2HG1 VAL 22 4.858 1.878 2.415 152 3HG1 VAL 22 3HG1 VAL 22 3.912 2.198 3.885 153 1HG2 VAL 22 1HG2 VAL 22 4.816 4.759 4.584 154 2HG2 VAL 22 2HG2 VAL 22 4.817 3.391 5.723 155 3HG2 VAL 22 3HG2 VAL 22 6.298 4.374 5.507 156 H LEU 23 H LEU 23 5.648 -0.238 3.259 157 HA LEU 23 HA LEU 23 3.978 -1.042 5.458 158 1HB LEU 23 2HB LEU 23 4.607 -2.210 2.756 159 2HB LEU 23 3HB LEU 23 3.823 -3.163 3.995 160 HG LEU 23 HG LEU 23 2.130 -2.400 2.686 161 1HD1 LEU 23 1HD1 LEU 23 1.917 -0.458 5.020 162 2HD1 LEU 23 2HD1 LEU 23 0.632 -1.309 4.167 163 3HD1 LEU 23 3HD1 LEU 23 1.735 -2.211 5.223 164 1HD2 LEU 23 1HD2 LEU 23 3.045 0.427 3.059 165 2HD2 LEU 23 2HD2 LEU 23 3.263 -0.578 1.610 166 3HD2 LEU 23 3HD2 LEU 23 1.625 -0.099 2.136 167 H ASN 24 H ASN 24 7.190 -2.230 4.315 168 HA ASN 24 HA ASN 24 7.452 -4.415 6.096 169 1HB ASN 24 2HB ASN 24 9.367 -2.489 4.749 170 2HB ASN 24 3HB ASN 24 9.928 -3.460 6.082 171 1HD2 ASN 24 1HD2 ASN 24 8.878 -3.597 2.754 172 2HD2 ASN 24 2HD2 ASN 24 9.531 -5.205 2.467 173 H LYS 25 H LYS 25 8.012 -0.907 6.564 174 HA LYS 25 HA LYS 25 8.887 -1.000 9.237 175 1HB LYS 25 2HB LYS 25 7.492 0.998 7.470 176 2HB LYS 25 3HB LYS 25 7.451 1.324 9.185 177 1HG LYS 25 2HG LYS 25 10.008 0.689 7.643 178 2HG LYS 25 3HG LYS 25 9.370 2.331 7.816 179 1HD LYS 25 2HD LYS 25 9.502 2.194 10.266 180 2HD LYS 25 3HD LYS 25 10.114 0.535 10.177 181 1HE LYS 25 2HE LYS 25 12.098 1.340 8.882 182 2HE LYS 25 3HE LYS 25 11.509 3.004 9.037 183 1HZ LYS 25 1HZ LYS 25 12.266 1.236 11.274 184 2HZ LYS 25 2HZ LYS 25 13.159 2.483 10.686 185 3HZ LYS 25 3HZ LYS 25 11.722 2.782 11.425 186 H LEU 26 H LEU 26 5.603 -1.327 7.978 187 HA LEU 26 HA LEU 26 4.328 -1.239 10.558 188 1HB LEU 26 2HB LEU 26 3.470 -1.015 8.044 189 2HB LEU 26 3HB LEU 26 3.158 -2.708 8.158 190 HG LEU 26 HG LEU 26 1.262 -1.013 8.631 191 1HD1 LEU 26 1HD1 LEU 26 1.735 -3.319 10.545 192 2HD1 LEU 26 2HD1 LEU 26 0.174 -2.542 10.193 193 3HD1 LEU 26 3HD1 LEU 26 1.030 -3.427 8.915 194 1HD2 LEU 26 1HD2 LEU 26 2.597 0.278 10.397 195 2HD2 LEU 26 2HD2 LEU 26 0.945 -0.191 10.825 196 3HD2 LEU 26 3HD2 LEU 26 2.308 -1.102 11.482 197 H GLY 27 H GLY 27 5.348 -3.801 8.306 198 1HA GLY 27 2HA GLY 27 6.807 -5.431 9.355 199 2HA GLY 27 3HA GLY 27 5.686 -5.501 10.703 200 H GLY 28 H GLY 28 3.675 -6.753 10.442 201 1HA GLY 28 2HA GLY 28 4.348 -9.214 9.020 202 2HA GLY 28 3HA GLY 28 3.026 -8.941 10.162 203 H VAL 29 H VAL 29 3.941 -7.512 7.001 204 HA VAL 29 HA VAL 29 1.074 -7.679 6.225 205 HB VAL 29 HB VAL 29 1.557 -5.570 7.043 206 1HG1 VAL 29 1HG1 VAL 29 3.088 -4.013 5.968 207 2HG1 VAL 29 2HG1 VAL 29 3.918 -5.311 6.812 208 3HG1 VAL 29 3HG1 VAL 29 3.833 -5.339 5.054 209 1HG2 VAL 29 1HG2 VAL 29 0.794 -4.251 5.140 210 2HG2 VAL 29 2HG2 VAL 29 1.221 -5.556 4.024 211 3HG2 VAL 29 3HG2 VAL 29 -0.042 -5.802 5.239 212 H LYS 30 H LYS 30 0.838 -9.182 4.680 213 HA LYS 30 HA LYS 30 2.521 -9.114 2.255 214 1HB LYS 30 2HB LYS 30 1.650 -11.181 2.464 215 2HB LYS 30 3HB LYS 30 0.118 -10.625 3.142 216 1HG LYS 30 2HG LYS 30 -0.137 -11.634 0.918 217 2HG LYS 30 3HG LYS 30 -0.767 -10.017 1.030 218 1HD LYS 30 2HD LYS 30 0.261 -10.293 -1.088 219 2HD LYS 30 3HD LYS 30 1.263 -9.142 -0.242 220 1HE LYS 30 2HE LYS 30 2.981 -10.784 0.189 221 2HE LYS 30 3HE LYS 30 1.914 -12.105 -0.335 222 1HZ LYS 30 1HZ LYS 30 1.856 -10.968 -2.547 223 2HZ LYS 30 2HZ LYS 30 3.002 -9.990 -2.132 224 3HZ LYS 30 3HZ LYS 30 3.341 -11.604 -2.163 225 H TYR 31 H TYR 31 2.551 -7.248 1.428 226 HA TYR 31 HA TYR 31 0.101 -6.042 0.267 227 1HB TYR 31 2HB TYR 31 1.438 -4.002 -0.091 228 2HB TYR 31 3HB TYR 31 1.239 -4.357 1.623 229 HD1 TYR 31 HD1 TYR 31 3.633 -4.311 -1.196 230 HD2 TYR 31 HD2 TYR 31 3.121 -5.171 2.964 231 HE1 TYR 31 HE1 TYR 31 6.066 -4.846 -0.995 232 HE2 TYR 31 HE2 TYR 31 5.551 -5.553 3.213 233 HH TYR 31 HH TYR 31 7.543 -5.659 2.137 234 H ASP 32 H ASP 32 0.270 -5.752 -2.031 235 HA ASP 32 HA ASP 32 2.753 -6.600 -3.381 236 1HB ASP 32 2HB ASP 32 -0.095 -7.615 -3.803 237 2HB ASP 32 3HB ASP 32 1.006 -7.483 -5.165 238 H ILE 33 H ILE 33 3.184 -5.344 -5.143 239 HA ILE 33 HA ILE 33 1.606 -2.814 -5.359 240 HB ILE 33 HB ILE 33 4.548 -3.263 -5.958 241 1HG1 ILE 33 2HG1 ILE 33 4.554 -1.595 -3.845 242 2HG1 ILE 33 3HG1 ILE 33 3.135 -2.537 -3.395 243 1HG2 ILE 33 1HG2 ILE 33 3.468 -1.415 -7.204 244 2HG2 ILE 33 2HG2 ILE 33 2.892 -0.729 -5.667 245 3HG2 ILE 33 3HG2 ILE 33 4.633 -0.836 -6.012 246 1HD1 ILE 33 1HD1 ILE 33 5.350 -3.330 -2.501 247 2HD1 ILE 33 2HD1 ILE 33 4.464 -4.599 -3.379 248 3HD1 ILE 33 3HD1 ILE 33 5.833 -3.747 -4.147 249 H ASP 34 H ASP 34 0.452 -2.792 -7.261 250 HA ASP 34 HA ASP 34 1.501 -4.338 -9.590 251 1HB ASP 34 2HB ASP 34 -0.854 -4.720 -8.926 252 2HB ASP 34 3HB ASP 34 -1.198 -3.022 -9.312 253 H LEU 35 H LEU 35 2.964 -3.161 -10.581 254 HA LEU 35 HA LEU 35 3.144 -0.335 -10.299 255 1HB LEU 35 2HB LEU 35 4.950 -2.305 -10.755 256 2HB LEU 35 3HB LEU 35 4.758 -1.741 -12.406 257 HG LEU 35 HG LEU 35 6.624 -0.660 -11.494 258 1HD1 LEU 35 1HD1 LEU 35 4.434 1.447 -11.306 259 2HD1 LEU 35 2HD1 LEU 35 6.152 1.695 -11.655 260 3HD1 LEU 35 3HD1 LEU 35 5.133 0.836 -12.826 261 1HD2 LEU 35 1HD2 LEU 35 6.091 -1.071 -9.102 262 2HD2 LEU 35 2HD2 LEU 35 6.745 0.540 -9.421 263 3HD2 LEU 35 3HD2 LEU 35 5.008 0.335 -9.115 264 HA PRO 36 HA PRO 36 1.898 -0.078 -14.931 265 1HB PRO 36 2HB PRO 36 0.297 -2.059 -16.008 266 2HB PRO 36 3HB PRO 36 2.071 -1.957 -16.193 267 1HG PRO 36 2HG PRO 36 0.503 -3.610 -14.216 268 2HG PRO 36 3HG PRO 36 1.895 -4.115 -15.208 269 1HD PRO 36 2HD PRO 36 2.190 -3.442 -12.641 270 2HD PRO 36 3HD PRO 36 3.419 -2.943 -13.832 271 H ASN 37 H ASN 37 -0.401 -1.917 -12.748 272 HA ASN 37 HA ASN 37 -2.615 -0.205 -13.559 273 1HB ASN 37 2HB ASN 37 -2.333 -2.064 -11.173 274 2HB ASN 37 3HB ASN 37 -3.756 -1.115 -11.556 275 1HD2 ASN 37 1HD2 ASN 37 -1.650 -3.652 -12.935 276 2HD2 ASN 37 2HD2 ASN 37 -2.910 -4.363 -13.945 277 H LYS 38 H LYS 38 -0.030 0.071 -11.115 278 HA LYS 38 HA LYS 38 0.557 1.809 -9.770 279 1HB LYS 38 2HB LYS 38 -1.535 3.437 -11.290 280 2HB LYS 38 3HB LYS 38 -0.411 4.004 -10.065 281 1HG LYS 38 2HG LYS 38 1.512 3.258 -11.452 282 2HG LYS 38 3HG LYS 38 0.420 2.542 -12.638 283 1HD LYS 38 2HD LYS 38 1.378 4.693 -13.356 284 2HD LYS 38 3HD LYS 38 -0.396 4.660 -13.371 285 1HE LYS 38 2HE LYS 38 -0.607 6.070 -11.523 286 2HE LYS 38 3HE LYS 38 1.005 5.672 -10.891 287 1HZ LYS 38 1HZ LYS 38 0.896 7.877 -11.787 288 2HZ LYS 38 2HZ LYS 38 2.019 6.922 -12.530 289 3HZ LYS 38 3HZ LYS 38 0.563 7.312 -13.282 290 H LYS 39 H LYS 39 -0.735 -0.213 -8.856 291 HA LYS 39 HA LYS 39 -2.676 0.904 -6.911 292 1HB LYS 39 2HB LYS 39 -2.900 -1.582 -8.651 293 2HB LYS 39 3HB LYS 39 -3.516 -1.617 -6.995 294 1HG LYS 39 2HG LYS 39 -5.037 0.205 -7.425 295 2HG LYS 39 3HG LYS 39 -4.416 0.411 -9.071 296 1HD LYS 39 2HD LYS 39 -6.616 -0.895 -8.808 297 2HD LYS 39 3HD LYS 39 -5.364 -1.655 -9.805 298 1HE LYS 39 2HE LYS 39 -4.743 -3.197 -8.055 299 2HE LYS 39 3HE LYS 39 -5.728 -2.343 -6.850 300 1HZ LYS 39 1HZ LYS 39 -7.655 -3.202 -7.754 301 2HZ LYS 39 2HZ LYS 39 -6.912 -3.761 -9.160 302 3HZ LYS 39 3HZ LYS 39 -6.647 -4.389 -7.642 303 H VAL 40 H VAL 40 -2.669 -0.282 -4.844 304 HA VAL 40 HA VAL 40 -0.529 -2.256 -4.474 305 HB VAL 40 HB VAL 40 -1.359 0.197 -2.906 306 1HG1 VAL 40 1HG1 VAL 40 -1.779 -1.467 -1.362 307 2HG1 VAL 40 2HG1 VAL 40 -0.261 -2.346 -1.716 308 3HG1 VAL 40 3HG1 VAL 40 -0.220 -0.744 -0.917 309 1HG2 VAL 40 1HG2 VAL 40 1.035 0.499 -2.700 310 2HG2 VAL 40 2HG2 VAL 40 1.336 -1.106 -3.422 311 3HG2 VAL 40 3HG2 VAL 40 0.654 0.198 -4.405 312 H CYS 41 H CYS 41 -1.336 -4.073 -3.530 313 HA CYS 41 HA CYS 41 -4.227 -4.174 -2.723 314 1HB CYS 41 2HB CYS 41 -2.593 -6.342 -4.110 315 2HB CYS 41 3HB CYS 41 -4.311 -6.427 -3.648 316 HG CYS 41 HG CYS 41 -5.309 -5.046 -5.396 317 H ILE 42 H ILE 42 -4.400 -4.995 -0.586 318 HA ILE 42 HA ILE 42 -1.986 -6.310 0.572 319 HB ILE 42 HB ILE 42 -3.666 -4.240 2.026 320 1HG1 ILE 42 2HG1 ILE 42 -1.028 -3.850 0.543 321 2HG1 ILE 42 3HG1 ILE 42 -2.566 -3.043 0.225 322 1HG2 ILE 42 1HG2 ILE 42 -0.907 -5.363 2.652 323 2HG2 ILE 42 2HG2 ILE 42 -1.882 -4.310 3.686 324 3HG2 ILE 42 3HG2 ILE 42 -2.411 -5.956 3.390 325 1HD1 ILE 42 1HD1 ILE 42 -0.772 -2.636 2.636 326 2HD1 ILE 42 2HD1 ILE 42 -1.173 -1.484 1.359 327 3HD1 ILE 42 3HD1 ILE 42 -2.426 -1.984 2.508 328 H GLU 43 H GLU 43 -2.393 -8.004 1.908 329 HA GLU 43 HA GLU 43 -5.116 -8.531 2.901 330 1HB GLU 43 2HB GLU 43 -4.889 -9.442 0.488 331 2HB GLU 43 3HB GLU 43 -3.716 -10.580 1.122 332 1HG GLU 43 2HG GLU 43 -5.461 -11.546 2.595 333 2HG GLU 43 3HG GLU 43 -6.633 -10.342 2.038 334 H SER 44 H SER 44 -4.132 -8.269 4.974 335 HA SER 44 HA SER 44 -2.528 -10.483 5.908 336 1HB SER 44 2HB SER 44 -1.072 -8.460 4.741 337 2HB SER 44 3HB SER 44 -1.166 -7.869 6.402 338 HG SER 44 HG SER 44 0.140 -9.494 7.009 339 H GLU 45 H GLU 45 -2.108 -10.252 8.266 340 HA GLU 45 HA GLU 45 -4.494 -9.304 9.529 341 1HB GLU 45 2HB GLU 45 -2.048 -10.548 10.815 342 2HB GLU 45 3HB GLU 45 -3.691 -10.437 11.471 343 1HG GLU 45 2HG GLU 45 -2.795 -12.089 9.063 344 2HG GLU 45 3HG GLU 45 -3.399 -12.672 10.616 345 H HIS 46 H HIS 46 -3.888 -7.010 8.747 346 HA HIS 46 HA HIS 46 -3.375 -5.563 11.255 347 1HB HIS 46 2HB HIS 46 -2.064 -4.833 8.598 348 2HB HIS 46 3HB HIS 46 -2.121 -3.788 10.020 349 HD1 HIS 46 1HD HIS 46 -0.701 -4.765 12.232 350 HD2 HIS 46 2HD HIS 46 -0.048 -6.515 8.465 351 HE1 HIS 46 1HE HIS 46 1.558 -5.946 12.355 352 H SER 47 H SER 47 -4.808 -3.697 11.336 353 HA SER 47 HA SER 47 -7.122 -4.142 9.671 354 1HB SER 47 2HB SER 47 -7.144 -3.334 12.100 355 2HB SER 47 3HB SER 47 -6.776 -1.720 11.454 356 HG SER 47 HG SER 47 -8.810 -1.597 10.870 357 H MET 48 H MET 48 -8.131 -2.670 8.295 358 HA MET 48 HA MET 48 -6.900 -1.445 6.184 359 1HB MET 48 2HB MET 48 -9.348 -1.973 6.651 360 2HB MET 48 3HB MET 48 -9.398 -0.567 7.709 361 1HG MET 48 2HG MET 48 -8.713 0.832 5.712 362 2HG MET 48 3HG MET 48 -8.808 -0.647 4.742 363 1HE MET 48 1HE MET 48 -12.456 1.480 6.657 364 2HE MET 48 2HE MET 48 -11.337 0.539 7.658 365 3HE MET 48 3HE MET 48 -10.770 2.019 6.842 366 H ASP 49 H ASP 49 -7.933 -0.018 9.277 367 HA ASP 49 HA ASP 49 -7.231 2.638 8.880 368 1HB ASP 49 2HB ASP 49 -7.085 1.299 11.607 369 2HB ASP 49 3HB ASP 49 -7.683 2.905 11.187 370 H THR 50 H THR 50 -5.508 0.091 10.525 371 HA THR 50 HA THR 50 -3.193 1.427 11.354 372 HB THR 50 HB THR 50 -3.228 -1.492 10.488 373 HG1 THR 50 1HG THR 50 -4.517 -0.357 12.740 374 1HG2 THR 50 1HG2 THR 50 -2.091 -0.074 12.941 375 2HG2 THR 50 2HG2 THR 50 -1.946 -1.803 12.560 376 3HG2 THR 50 3HG2 THR 50 -1.165 -0.598 11.520 377 H LEU 51 H LEU 51 -3.815 -0.501 8.390 378 HA LEU 51 HA LEU 51 -1.273 -0.075 7.160 379 1HB LEU 51 2HB LEU 51 -4.002 -0.494 5.870 380 2HB LEU 51 3HB LEU 51 -2.447 -0.595 5.031 381 HG LEU 51 HG LEU 51 -3.166 -2.347 7.432 382 1HD1 LEU 51 1HD1 LEU 51 -3.711 -4.120 5.780 383 2HD1 LEU 51 2HD1 LEU 51 -4.839 -2.759 5.732 384 3HD1 LEU 51 3HD1 LEU 51 -3.595 -2.912 4.478 385 1HD2 LEU 51 1HD2 LEU 51 -1.406 -3.830 6.483 386 2HD2 LEU 51 2HD2 LEU 51 -1.064 -2.603 5.249 387 3HD2 LEU 51 3HD2 LEU 51 -0.759 -2.259 6.967 388 H LEU 52 H LEU 52 -4.398 1.604 6.554 389 HA LEU 52 HA LEU 52 -3.516 3.535 4.801 390 1HB LEU 52 2HB LEU 52 -5.747 3.322 6.751 391 2HB LEU 52 3HB LEU 52 -5.352 4.978 6.316 392 HG LEU 52 HG LEU 52 -5.843 2.806 4.282 393 1HD1 LEU 52 1HD1 LEU 52 -8.124 3.726 4.046 394 2HD1 LEU 52 2HD1 LEU 52 -7.850 3.094 5.678 395 3HD1 LEU 52 3HD1 LEU 52 -7.816 4.845 5.392 396 1HD2 LEU 52 1HD2 LEU 52 -5.885 5.858 4.093 397 2HD2 LEU 52 2HD2 LEU 52 -4.618 4.820 3.412 398 3HD2 LEU 52 3HD2 LEU 52 -6.256 4.760 2.762 399 H ALA 53 H ALA 53 -3.705 3.988 8.354 400 HA ALA 53 HA ALA 53 -2.574 6.578 8.400 401 1HB ALA 53 1HB ALA 53 -2.518 4.398 10.539 402 2HB ALA 53 2HB ALA 53 -2.260 6.135 10.817 403 3HB ALA 53 3HB ALA 53 -3.845 5.550 10.273 404 H THR 54 H THR 54 -0.981 3.427 8.275 405 HA THR 54 HA THR 54 1.673 4.515 8.760 406 HB THR 54 HB THR 54 0.780 1.866 7.535 407 HG1 THR 54 1HG THR 54 0.107 2.013 9.601 408 1HG2 THR 54 1HG2 THR 54 3.086 1.182 8.166 409 2HG2 THR 54 2HG2 THR 54 3.030 2.343 6.837 410 3HG2 THR 54 3HG2 THR 54 3.487 2.880 8.477 411 H LEU 55 H LEU 55 0.155 3.134 5.790 412 HA LEU 55 HA LEU 55 2.340 3.897 4.176 413 1HB LEU 55 2HB LEU 55 1.063 3.108 2.341 414 2HB LEU 55 3HB LEU 55 1.085 2.032 3.718 415 HG LEU 55 HG LEU 55 -1.251 3.297 4.226 416 1HD1 LEU 55 1HD1 LEU 55 -0.807 4.685 2.205 417 2HD1 LEU 55 2HD1 LEU 55 -0.954 3.202 1.242 418 3HD1 LEU 55 3HD1 LEU 55 -2.371 3.813 2.154 419 1HD2 LEU 55 1HD2 LEU 55 -0.825 1.024 2.239 420 2HD2 LEU 55 2HD2 LEU 55 -0.866 0.858 4.003 421 3HD2 LEU 55 3HD2 LEU 55 -2.335 1.356 3.126 422 H LYS 56 H LYS 56 -0.641 5.554 4.844 423 HA LYS 56 HA LYS 56 -0.731 7.699 3.197 424 1HB LYS 56 2HB LYS 56 -1.076 7.372 6.177 425 2HB LYS 56 3HB LYS 56 -0.869 9.011 5.642 426 1HG LYS 56 2HG LYS 56 -2.701 8.892 4.084 427 2HG LYS 56 3HG LYS 56 -3.007 7.186 4.512 428 1HD LYS 56 2HD LYS 56 -3.623 7.752 6.753 429 2HD LYS 56 3HD LYS 56 -2.832 9.321 6.669 430 1HE LYS 56 2HE LYS 56 -5.254 9.631 6.667 431 2HE LYS 56 3HE LYS 56 -4.540 10.211 5.158 432 1HZ LYS 56 1HZ LYS 56 -6.532 8.959 4.769 433 2HZ LYS 56 2HZ LYS 56 -5.254 8.166 4.111 434 3HZ LYS 56 3HZ LYS 56 -5.923 7.632 5.521 435 H LYS 57 H LYS 57 1.738 7.198 5.726 436 HA LYS 57 HA LYS 57 2.719 9.859 5.770 437 1HB LYS 57 2HB LYS 57 4.018 7.244 6.547 438 2HB LYS 57 3HB LYS 57 4.633 8.860 6.981 439 1HG LYS 57 2HG LYS 57 2.341 9.254 8.077 440 2HG LYS 57 3HG LYS 57 2.039 7.524 7.821 441 1HD LYS 57 2HD LYS 57 4.459 7.309 8.991 442 2HD LYS 57 3HD LYS 57 4.020 8.879 9.657 443 1HE LYS 57 2HE LYS 57 2.745 6.151 10.070 444 2HE LYS 57 3HE LYS 57 3.343 7.286 11.283 445 1HZ LYS 57 1HZ LYS 57 1.008 7.309 11.314 446 2HZ LYS 57 2HZ LYS 57 1.429 8.729 10.590 447 3HZ LYS 57 3HZ LYS 57 0.871 7.446 9.693 448 H THR 58 H THR 58 3.172 7.472 3.289 449 HA THR 58 HA THR 58 5.675 8.337 2.209 450 HB THR 58 HB THR 58 4.629 7.714 0.009 451 HG1 THR 58 1HG THR 58 2.373 6.905 1.508 452 1HG2 THR 58 1HG2 THR 58 4.303 5.319 0.557 453 2HG2 THR 58 2HG2 THR 58 5.750 6.006 1.323 454 3HG2 THR 58 3HG2 THR 58 4.290 5.732 2.287 455 H GLY 59 H GLY 59 2.395 9.698 2.088 456 1HA GLY 59 2HA GLY 59 1.635 11.785 1.678 457 2HA GLY 59 3HA GLY 59 3.302 12.376 1.576 458 H LYS 60 H LYS 60 2.229 9.726 -0.514 459 HA LYS 60 HA LYS 60 2.337 11.478 -2.931 460 1HB LYS 60 2HB LYS 60 2.784 8.544 -2.320 461 2HB LYS 60 3HB LYS 60 2.419 9.067 -3.958 462 1HG LYS 60 2HG LYS 60 4.843 8.830 -3.479 463 2HG LYS 60 3HG LYS 60 4.372 10.424 -4.110 464 1HD LYS 60 2HD LYS 60 4.553 11.435 -1.951 465 2HD LYS 60 3HD LYS 60 4.675 9.828 -1.180 466 1HE LYS 60 2HE LYS 60 6.899 9.516 -2.073 467 2HE LYS 60 3HE LYS 60 6.801 11.039 -2.981 468 1HZ LYS 60 1HZ LYS 60 6.717 12.237 -0.954 469 2HZ LYS 60 2HZ LYS 60 6.517 10.895 -0.044 470 3HZ LYS 60 3HZ LYS 60 7.970 11.180 -0.791 471 H THR 61 H THR 61 0.832 10.338 -4.736 472 HA THR 61 HA THR 61 -1.820 10.844 -3.974 473 HB THR 61 HB THR 61 -1.075 9.414 -6.467 474 HG1 THR 61 1HG THR 61 0.507 10.570 -6.978 475 1HG2 THR 61 1HG2 THR 61 -2.342 11.270 -7.538 476 2HG2 THR 61 2HG2 THR 61 -3.290 10.532 -6.232 477 3HG2 THR 61 3HG2 THR 61 -2.468 12.090 -5.971 478 H VAL 62 H VAL 62 -1.243 8.895 -2.252 479 HA VAL 62 HA VAL 62 -2.297 6.332 -3.286 480 HB VAL 62 HB VAL 62 -0.344 6.051 -2.044 481 1HG1 VAL 62 1HG1 VAL 62 -0.209 8.038 -0.640 482 2HG1 VAL 62 2HG1 VAL 62 -1.641 7.534 0.285 483 3HG1 VAL 62 3HG1 VAL 62 -0.140 6.593 0.367 484 1HG2 VAL 62 1HG2 VAL 62 -1.043 4.373 -0.597 485 2HG2 VAL 62 2HG2 VAL 62 -2.537 5.221 -0.125 486 3HG2 VAL 62 3HG2 VAL 62 -2.392 4.495 -1.732 487 H SER 63 H SER 63 -4.355 5.663 -2.926 488 HA SER 63 HA SER 63 -5.848 6.731 -0.640 489 1HB SER 63 2HB SER 63 -6.405 8.318 -2.489 490 2HB SER 63 3HB SER 63 -7.010 6.947 -3.447 491 HG SER 63 HG SER 63 -8.675 8.004 -2.223 492 H TYR 64 H TYR 64 -8.104 5.593 -0.762 493 HA TYR 64 HA TYR 64 -7.419 2.671 -0.776 494 1HB TYR 64 2HB TYR 64 -7.483 3.446 1.445 495 2HB TYR 64 3HB TYR 64 -8.892 4.472 1.155 496 HD1 TYR 64 HD1 TYR 64 -10.937 3.713 2.017 497 HD2 TYR 64 HD2 TYR 64 -7.982 0.834 0.761 498 HE1 TYR 64 HE1 TYR 64 -12.508 1.877 2.524 499 HE2 TYR 64 HE2 TYR 64 -9.546 -0.974 1.241 500 HH TYR 64 HH TYR 64 -12.828 -0.409 2.569 501 H LEU 65 H LEU 65 -8.727 1.330 -1.964 502 HA LEU 65 HA LEU 65 -11.543 1.931 -2.373 503 1HB LEU 65 2HB LEU 65 -11.121 1.592 -4.921 504 2HB LEU 65 3HB LEU 65 -11.121 3.179 -4.166 505 HG LEU 65 HG LEU 65 -9.460 2.911 -5.847 506 1HD1 LEU 65 1HD1 LEU 65 -9.143 4.430 -3.831 507 2HD1 LEU 65 2HD1 LEU 65 -7.818 3.302 -3.435 508 3HD1 LEU 65 3HD1 LEU 65 -7.825 4.173 -4.963 509 1HD2 LEU 65 1HD2 LEU 65 -7.476 1.563 -5.708 510 2HD2 LEU 65 2HD2 LEU 65 -8.050 0.845 -4.190 511 3HD2 LEU 65 3HD2 LEU 65 -8.922 0.566 -5.712 512 H GLY 66 H GLY 66 -11.478 -0.137 -1.082 513 1HA GLY 66 2HA GLY 66 -12.912 -1.879 -2.405 514 2HA GLY 66 3HA GLY 66 -11.335 -2.493 -2.925 515 H LEU 67 H LEU 67 -13.199 -4.061 -1.486 516 HA LEU 67 HA LEU 67 -11.422 -4.841 0.632 517 1HB LEU 67 2HB LEU 67 -12.969 -5.030 2.385 518 2HB LEU 67 3HB LEU 67 -12.973 -3.356 1.827 519 HG LEU 67 HG LEU 67 -15.128 -5.442 1.253 520 1HD1 LEU 67 1HD1 LEU 67 -16.473 -4.097 2.806 521 2HD1 LEU 67 2HD1 LEU 67 -15.013 -4.702 3.604 522 3HD1 LEU 67 3HD1 LEU 67 -15.097 -3.006 3.081 523 1HD2 LEU 67 1HD2 LEU 67 -16.456 -3.427 0.497 524 2HD2 LEU 67 2HD2 LEU 67 -14.955 -2.480 0.522 525 3HD2 LEU 67 3HD2 LEU 67 -15.145 -3.854 -0.595 526 H GLU 68 H GLU 68 -11.192 -7.038 0.612 527 HA GLU 68 HA GLU 68 -13.273 -8.834 -0.281 528 1HB GLU 68 2HB GLU 68 -12.163 -7.847 -2.406 529 2HB GLU 68 3HB GLU 68 -10.714 -8.702 -1.908 530 1HG GLU 68 2HG GLU 68 -12.265 -10.828 -1.836 531 2HG GLU 68 3HG GLU 68 -13.357 -9.853 -2.828 Start of MODEL 11 1 1H MET 1 H1 MET 1 -6.823 -13.529 5.303 2 2H MET 1 H2 MET 1 -7.560 -14.314 6.580 3 3H MET 1 H3 MET 1 -8.335 -14.087 5.115 4 HA MET 1 HA MET 1 -9.135 -12.538 6.765 5 1HB MET 1 2HB MET 1 -7.160 -10.562 6.780 6 2HB MET 1 3HB MET 1 -7.595 -11.615 8.129 7 1HG MET 1 2HG MET 1 -5.169 -11.505 7.735 8 2HG MET 1 3HG MET 1 -5.788 -13.143 7.587 9 1HE MET 1 1HE MET 1 -2.917 -13.280 4.990 10 2HE MET 1 2HE MET 1 -2.943 -12.629 6.646 11 3HE MET 1 3HE MET 1 -3.767 -14.163 6.281 12 HA PRO 2 HA PRO 2 -10.327 -10.560 3.117 13 1HB PRO 2 2HB PRO 2 -10.737 -7.880 3.683 14 2HB PRO 2 3HB PRO 2 -11.841 -9.201 4.157 15 1HG PRO 2 2HG PRO 2 -9.673 -7.881 5.814 16 2HG PRO 2 3HG PRO 2 -11.349 -8.252 6.311 17 1HD PRO 2 2HD PRO 2 -9.308 -9.866 7.006 18 2HD PRO 2 3HD PRO 2 -10.850 -10.586 6.468 19 H LYS 3 H LYS 3 -9.819 -9.082 1.410 20 HA LYS 3 HA LYS 3 -6.968 -8.196 1.336 21 1HB LYS 3 2HB LYS 3 -7.471 -9.945 -0.232 22 2HB LYS 3 3HB LYS 3 -8.844 -9.053 -0.874 23 1HG LYS 3 2HG LYS 3 -7.165 -7.197 -1.517 24 2HG LYS 3 3HG LYS 3 -5.888 -8.371 -1.184 25 1HD LYS 3 2HD LYS 3 -8.216 -8.743 -3.157 26 2HD LYS 3 3HD LYS 3 -6.655 -8.067 -3.584 27 1HE LYS 3 2HE LYS 3 -6.689 -10.319 -4.292 28 2HE LYS 3 3HE LYS 3 -5.505 -10.170 -2.981 29 1HZ LYS 3 1HZ LYS 3 -8.279 -11.093 -2.525 30 2HZ LYS 3 2HZ LYS 3 -7.072 -12.134 -2.921 31 3HZ LYS 3 3HZ LYS 3 -6.947 -11.309 -1.541 32 H HIS 4 H HIS 4 -6.598 -6.105 0.840 33 HA HIS 4 HA HIS 4 -8.896 -4.214 0.688 34 1HB HIS 4 2HB HIS 4 -6.172 -3.714 1.938 35 2HB HIS 4 3HB HIS 4 -7.659 -2.818 2.140 36 HD1 HIS 4 1HD HIS 4 -5.905 -6.038 3.237 37 HD2 HIS 4 2HD HIS 4 -9.473 -3.932 3.893 38 HE1 HIS 4 1HE HIS 4 -6.960 -7.029 5.356 39 H GLU 5 H GLU 5 -8.852 -2.917 -1.146 40 HA GLU 5 HA GLU 5 -6.454 -3.053 -2.910 41 1HB GLU 5 2HB GLU 5 -9.385 -2.391 -3.258 42 2HB GLU 5 3HB GLU 5 -8.215 -2.169 -4.549 43 1HG GLU 5 2HG GLU 5 -8.669 -4.836 -3.099 44 2HG GLU 5 3HG GLU 5 -9.519 -4.361 -4.559 45 H PHE 6 H PHE 6 -5.403 -1.208 -3.621 46 HA PHE 6 HA PHE 6 -6.464 1.436 -2.824 47 1HB PHE 6 2HB PHE 6 -3.584 0.469 -2.426 48 2HB PHE 6 3HB PHE 6 -4.177 2.043 -1.969 49 HD1 PHE 6 1HD PHE 6 -4.504 -1.625 -1.249 50 HD2 PHE 6 2HD PHE 6 -4.734 2.385 0.401 51 HE1 PHE 6 1HE PHE 6 -4.566 -2.539 1.016 52 HE2 PHE 6 2HE PHE 6 -4.584 1.430 2.636 53 HZ PHE 6 HZ PHE 6 -4.645 -1.025 2.990 54 H SER 7 H SER 7 -6.016 3.047 -4.268 55 HA SER 7 HA SER 7 -4.529 2.329 -6.765 56 1HB SER 7 2HB SER 7 -6.838 3.424 -6.951 57 2HB SER 7 3HB SER 7 -6.086 4.890 -6.275 58 HG SER 7 HG SER 7 -4.631 4.804 -8.072 59 H VAL 8 H VAL 8 -2.654 3.494 -7.295 60 HA VAL 8 HA VAL 8 -1.421 5.030 -5.049 61 HB VAL 8 HB VAL 8 -0.366 2.795 -6.843 62 1HG1 VAL 8 1HG1 VAL 8 1.465 4.251 -6.367 63 2HG1 VAL 8 2HG1 VAL 8 1.016 4.381 -4.644 64 3HG1 VAL 8 3HG1 VAL 8 1.618 2.847 -5.316 65 1HG2 VAL 8 1HG2 VAL 8 -1.070 2.891 -3.879 66 2HG2 VAL 8 2HG2 VAL 8 -1.839 1.880 -5.122 67 3HG2 VAL 8 3HG2 VAL 8 -0.169 1.583 -4.651 68 H ASP 9 H ASP 9 0.150 6.585 -5.654 69 HA ASP 9 HA ASP 9 0.218 7.372 -8.536 70 1HB ASP 9 2HB ASP 9 -0.338 9.302 -7.276 71 2HB ASP 9 3HB ASP 9 0.869 8.934 -6.024 72 H MET 10 H MET 10 2.258 7.584 -9.453 73 HA MET 10 HA MET 10 4.487 6.052 -8.229 74 1HB MET 10 2HB MET 10 3.083 5.147 -10.785 75 2HB MET 10 3HB MET 10 4.615 4.528 -10.150 76 1HG MET 10 2HG MET 10 3.274 4.066 -7.959 77 2HG MET 10 3HG MET 10 1.842 4.226 -8.966 78 1HE MET 10 1HE MET 10 2.431 0.325 -8.200 79 2HE MET 10 2HE MET 10 3.031 1.628 -7.148 80 3HE MET 10 3HE MET 10 1.397 1.724 -7.848 81 H THR 11 H THR 11 5.356 8.216 -8.258 82 HA THR 11 HA THR 11 5.775 9.597 -10.743 83 HB THR 11 HB THR 11 7.383 10.881 -9.057 84 HG1 THR 11 1HG THR 11 7.404 9.324 -7.437 85 1HG2 THR 11 1HG2 THR 11 5.281 11.781 -9.864 86 2HG2 THR 11 2HG2 THR 11 4.351 10.722 -8.799 87 3HG2 THR 11 3HG2 THR 11 5.362 12.023 -8.114 88 H CYS 12 H CYS 12 7.489 6.984 -9.167 89 HA CYS 12 HA CYS 12 9.324 6.842 -11.397 90 1HB CYS 12 2HB CYS 12 10.660 8.328 -9.932 91 2HB CYS 12 3HB CYS 12 10.361 7.256 -8.543 92 HG CYS 12 HG CYS 12 12.806 6.933 -9.325 93 H GLY 13 H GLY 13 10.130 4.588 -11.461 94 1HA GLY 13 2HA GLY 13 8.510 2.532 -10.550 95 2HA GLY 13 3HA GLY 13 10.242 2.364 -10.894 96 H GLY 14 H GLY 14 11.294 4.032 -8.872 97 1HA GLY 14 2HA GLY 14 11.496 2.323 -6.662 98 2HA GLY 14 3HA GLY 14 11.992 4.025 -6.698 99 H CYS 15 H CYS 15 8.844 4.427 -7.355 100 HA CYS 15 HA CYS 15 7.840 4.980 -4.783 101 1HB CYS 15 2HB CYS 15 5.662 4.987 -5.736 102 2HB CYS 15 3HB CYS 15 6.763 5.705 -6.922 103 HG CYS 15 HG CYS 15 7.049 3.509 -8.341 104 H ALA 16 H ALA 16 7.964 1.912 -6.667 105 HA ALA 16 HA ALA 16 6.359 0.402 -4.853 106 1HB ALA 16 1HB ALA 16 7.313 -1.557 -6.027 107 2HB ALA 16 2HB ALA 16 6.811 -0.304 -7.180 108 3HB ALA 16 3HB ALA 16 8.533 -0.517 -6.795 109 H GLU 17 H GLU 17 9.920 0.868 -5.135 110 HA GLU 17 HA GLU 17 10.683 -0.742 -2.976 111 1HB GLU 17 2HB GLU 17 11.831 1.797 -4.199 112 2HB GLU 17 3HB GLU 17 12.646 0.960 -2.906 113 1HG GLU 17 2HG GLU 17 11.758 -0.840 -5.136 114 2HG GLU 17 3HG GLU 17 12.919 0.400 -5.583 115 H ALA 18 H ALA 18 9.610 2.661 -3.058 116 HA ALA 18 HA ALA 18 10.121 3.219 -0.292 117 1HB ALA 18 1HB ALA 18 8.748 5.220 -0.669 118 2HB ALA 18 2HB ALA 18 9.892 4.975 -2.004 119 3HB ALA 18 3HB ALA 18 8.177 4.567 -2.216 120 H VAL 19 H VAL 19 7.069 2.464 -2.027 121 HA VAL 19 HA VAL 19 5.387 2.410 0.247 122 HB VAL 19 HB VAL 19 5.209 1.071 -2.479 123 1HG1 VAL 19 1HG1 VAL 19 2.790 0.798 -2.005 124 2HG1 VAL 19 2HG1 VAL 19 3.785 -0.247 -0.988 125 3HG1 VAL 19 3HG1 VAL 19 3.074 1.245 -0.313 126 1HG2 VAL 19 1HG2 VAL 19 3.721 3.458 -1.273 127 2HG2 VAL 19 2HG2 VAL 19 5.113 3.616 -2.350 128 3HG2 VAL 19 3HG2 VAL 19 3.620 2.878 -2.947 129 H SER 20 H SER 20 7.180 -0.252 -1.395 130 HA SER 20 HA SER 20 6.369 -2.321 0.327 131 1HB SER 20 2HB SER 20 7.660 -2.649 -1.781 132 2HB SER 20 3HB SER 20 9.076 -1.870 -1.053 133 HG SER 20 HG SER 20 9.224 -4.134 -0.971 134 H ARG 21 H ARG 21 9.287 -0.167 0.723 135 HA ARG 21 HA ARG 21 9.987 -1.190 3.228 136 1HB ARG 21 2HB ARG 21 10.399 1.514 1.918 137 2HB ARG 21 3HB ARG 21 11.118 1.092 3.486 138 1HG ARG 21 2HG ARG 21 12.303 -0.755 2.596 139 2HG ARG 21 3HG ARG 21 11.392 -0.777 1.122 140 1HD ARG 21 2HD ARG 21 12.397 1.458 0.474 141 2HD ARG 21 3HD ARG 21 13.345 1.417 1.962 142 HE ARG 21 HE ARG 21 14.886 0.148 0.866 143 1HH1 ARG 21 2HH2 ARG 21 11.738 -0.434 -0.738 144 2HH1 ARG 21 1HH2 ARG 21 12.507 -1.454 -1.964 145 1HH2 ARG 21 2HH1 ARG 21 15.777 -1.055 -1.008 146 2HH2 ARG 21 1HH1 ARG 21 14.617 -1.613 -2.196 147 H VAL 22 H VAL 22 7.737 1.666 2.605 148 HA VAL 22 HA VAL 22 7.381 2.111 5.329 149 HB VAL 22 HB VAL 22 6.652 3.512 3.209 150 1HG1 VAL 22 1HG1 VAL 22 4.003 2.245 4.034 151 2HG1 VAL 22 2HG1 VAL 22 4.228 3.567 2.877 152 3HG1 VAL 22 3HG1 VAL 22 4.814 1.968 2.477 153 1HG2 VAL 22 1HG2 VAL 22 6.670 4.290 5.488 154 2HG2 VAL 22 2HG2 VAL 22 5.140 4.786 4.715 155 3HG2 VAL 22 3HG2 VAL 22 5.154 3.405 5.835 156 H LEU 23 H LEU 23 5.517 -0.130 3.155 157 HA LEU 23 HA LEU 23 3.727 -0.854 5.248 158 1HB LEU 23 2HB LEU 23 4.512 -2.157 2.631 159 2HB LEU 23 3HB LEU 23 3.588 -3.033 3.839 160 HG LEU 23 HG LEU 23 2.071 -2.266 2.302 161 1HD1 LEU 23 1HD1 LEU 23 0.450 -1.178 3.675 162 2HD1 LEU 23 2HD1 LEU 23 1.424 -2.190 4.745 163 3HD1 LEU 23 3HD1 LEU 23 1.669 -0.430 4.704 164 1HD2 LEU 23 1HD2 LEU 23 3.013 0.537 2.830 165 2HD2 LEU 23 2HD2 LEU 23 3.297 -0.447 1.369 166 3HD2 LEU 23 3HD2 LEU 23 1.649 0.066 1.787 167 H ASN 24 H ASN 24 6.753 -2.428 4.104 168 HA ASN 24 HA ASN 24 6.893 -4.570 5.902 169 1HB ASN 24 2HB ASN 24 8.470 -4.466 4.144 170 2HB ASN 24 3HB ASN 24 8.910 -2.806 4.511 171 1HD2 ASN 24 1HD2 ASN 24 10.175 -2.293 6.285 172 2HD2 ASN 24 2HD2 ASN 24 11.290 -3.486 6.979 173 H LYS 25 H LYS 25 7.910 -1.187 6.358 174 HA LYS 25 HA LYS 25 9.082 -1.423 8.917 175 1HB LYS 25 2HB LYS 25 7.787 0.817 7.327 176 2HB LYS 25 3HB LYS 25 8.183 1.096 9.010 177 1HG LYS 25 2HG LYS 25 10.226 0.060 6.997 178 2HG LYS 25 3HG LYS 25 9.924 1.781 7.268 179 1HD LYS 25 2HD LYS 25 10.484 1.532 9.669 180 2HD LYS 25 3HD LYS 25 10.828 -0.189 9.424 181 1HE LYS 25 2HE LYS 25 12.614 0.403 7.781 182 2HE LYS 25 3HE LYS 25 12.296 2.123 8.066 183 1HZ LYS 25 1HZ LYS 25 13.237 0.197 10.092 184 2HZ LYS 25 2HZ LYS 25 14.151 1.339 9.348 185 3HZ LYS 25 3HZ LYS 25 12.941 1.793 10.361 186 H LEU 26 H LEU 26 5.688 -1.056 7.972 187 HA LEU 26 HA LEU 26 4.662 -0.453 10.517 188 1HB LEU 26 2HB LEU 26 3.511 -0.505 8.233 189 2HB LEU 26 3HB LEU 26 3.266 -2.219 8.440 190 HG LEU 26 HG LEU 26 1.399 -0.541 8.980 191 1HD1 LEU 26 1HD1 LEU 26 0.391 -2.016 10.596 192 2HD1 LEU 26 2HD1 LEU 26 1.275 -2.975 9.395 193 3HD1 LEU 26 3HD1 LEU 26 1.965 -2.719 11.014 194 1HD2 LEU 26 1HD2 LEU 26 2.797 0.857 10.598 195 2HD2 LEU 26 2HD2 LEU 26 1.223 0.337 11.206 196 3HD2 LEU 26 3HD2 LEU 26 2.687 -0.495 11.742 197 H GLY 27 H GLY 27 5.417 -3.592 8.994 198 1HA GLY 27 2HA GLY 27 6.320 -4.863 11.177 199 2HA GLY 27 3HA GLY 27 4.569 -4.985 11.442 200 H GLY 28 H GLY 28 3.283 -6.412 10.192 201 1HA GLY 28 2HA GLY 28 4.833 -8.540 8.736 202 2HA GLY 28 3HA GLY 28 3.720 -8.857 10.079 203 H VAL 29 H VAL 29 3.744 -6.822 7.168 204 HA VAL 29 HA VAL 29 0.895 -7.489 6.658 205 HB VAL 29 HB VAL 29 1.148 -5.226 7.197 206 1HG1 VAL 29 1HG1 VAL 29 3.489 -4.810 7.012 207 2HG1 VAL 29 2HG1 VAL 29 3.469 -5.038 5.257 208 3HG1 VAL 29 3HG1 VAL 29 2.620 -3.667 5.997 209 1HG2 VAL 29 1HG2 VAL 29 0.309 -4.135 5.237 210 2HG2 VAL 29 2HG2 VAL 29 0.988 -5.379 4.174 211 3HG2 VAL 29 3HG2 VAL 29 -0.322 -5.784 5.309 212 H LYS 30 H LYS 30 0.563 -8.938 4.997 213 HA LYS 30 HA LYS 30 2.529 -9.042 2.813 214 1HB LYS 30 2HB LYS 30 1.036 -11.010 3.815 215 2HB LYS 30 3HB LYS 30 -0.021 -10.514 2.485 216 1HG LYS 30 2HG LYS 30 2.935 -11.243 2.322 217 2HG LYS 30 3HG LYS 30 1.604 -12.281 1.818 218 1HD LYS 30 2HD LYS 30 1.159 -11.055 -0.133 219 2HD LYS 30 3HD LYS 30 1.835 -9.564 0.482 220 1HE LYS 30 2HE LYS 30 4.116 -10.462 0.409 221 2HE LYS 30 3HE LYS 30 3.480 -11.941 -0.364 222 1HZ LYS 30 1HZ LYS 30 3.229 -9.173 -1.402 223 2HZ LYS 30 2HZ LYS 30 4.185 -10.341 -2.066 224 3HZ LYS 30 3HZ LYS 30 2.555 -10.456 -2.092 225 H TYR 31 H TYR 31 2.528 -7.294 1.740 226 HA TYR 31 HA TYR 31 0.101 -6.224 0.378 227 1HB TYR 31 2HB TYR 31 1.532 -4.268 -0.143 228 2HB TYR 31 3HB TYR 31 1.259 -4.493 1.581 229 HD1 TYR 31 HD1 TYR 31 3.039 -5.196 3.071 230 HD2 TYR 31 HD2 TYR 31 3.778 -4.735 -1.117 231 HE1 TYR 31 HE1 TYR 31 5.486 -5.323 3.509 232 HE2 TYR 31 HE2 TYR 31 6.230 -4.863 -0.704 233 HH TYR 31 HH TYR 31 7.874 -4.691 0.971 234 H ASP 32 H ASP 32 0.202 -5.934 -1.898 235 HA ASP 32 HA ASP 32 2.538 -6.942 -3.360 236 1HB ASP 32 2HB ASP 32 -0.261 -8.067 -3.397 237 2HB ASP 32 3HB ASP 32 0.573 -7.903 -4.941 238 H ILE 33 H ILE 33 2.722 -5.981 -5.385 239 HA ILE 33 HA ILE 33 1.304 -3.357 -5.622 240 HB ILE 33 HB ILE 33 4.237 -3.918 -6.167 241 1HG1 ILE 33 2HG1 ILE 33 4.262 -2.184 -4.079 242 2HG1 ILE 33 3HG1 ILE 33 2.863 -3.140 -3.609 243 1HG2 ILE 33 1HG2 ILE 33 2.662 -1.327 -5.958 244 2HG2 ILE 33 2HG2 ILE 33 4.406 -1.482 -6.259 245 3HG2 ILE 33 3HG2 ILE 33 3.253 -2.067 -7.462 246 1HD1 ILE 33 1HD1 ILE 33 5.569 -4.340 -4.365 247 2HD1 ILE 33 2HD1 ILE 33 5.109 -3.906 -2.720 248 3HD1 ILE 33 3HD1 ILE 33 4.213 -5.181 -3.569 249 H ASP 34 H ASP 34 0.347 -3.163 -7.618 250 HA ASP 34 HA ASP 34 1.497 -4.675 -9.928 251 1HB ASP 34 2HB ASP 34 -0.909 -5.104 -9.552 252 2HB ASP 34 3HB ASP 34 -1.220 -3.366 -9.755 253 H LEU 35 H LEU 35 2.841 -3.480 -11.034 254 HA LEU 35 HA LEU 35 3.100 -0.655 -10.576 255 1HB LEU 35 2HB LEU 35 4.901 -2.533 -11.056 256 2HB LEU 35 3HB LEU 35 4.621 -2.114 -12.736 257 HG LEU 35 HG LEU 35 6.509 -0.943 -12.034 258 1HD1 LEU 35 1HD1 LEU 35 5.988 1.389 -12.338 259 2HD1 LEU 35 2HD1 LEU 35 4.933 0.419 -13.384 260 3HD1 LEU 35 3HD1 LEU 35 4.297 1.136 -11.885 261 1HD2 LEU 35 1HD2 LEU 35 5.017 0.080 -9.588 262 2HD2 LEU 35 2HD2 LEU 35 6.284 -1.156 -9.621 263 3HD2 LEU 35 3HD2 LEU 35 6.667 0.512 -10.069 264 HA PRO 36 HA PRO 36 1.937 -0.195 -15.204 265 1HB PRO 36 2HB PRO 36 0.317 -2.085 -16.429 266 2HB PRO 36 3HB PRO 36 2.101 -2.032 -16.525 267 1HG PRO 36 2HG PRO 36 0.397 -3.674 -14.642 268 2HG PRO 36 3HG PRO 36 1.785 -4.220 -15.622 269 1HD PRO 36 2HD PRO 36 2.097 -3.637 -13.047 270 2HD PRO 36 3HD PRO 36 3.326 -3.096 -14.223 271 H ASN 37 H ASN 37 -0.456 -1.842 -13.056 272 HA ASN 37 HA ASN 37 -2.595 -0.027 -13.968 273 1HB ASN 37 2HB ASN 37 -2.581 -2.143 -11.789 274 2HB ASN 37 3HB ASN 37 -3.966 -1.194 -12.314 275 1HD2 ASN 37 1HD2 ASN 37 -1.622 -3.641 -13.402 276 2HD2 ASN 37 2HD2 ASN 37 -2.639 -4.276 -14.698 277 H LYS 38 H LYS 38 0.009 0.280 -11.756 278 HA LYS 38 HA LYS 38 0.440 1.555 -10.010 279 1HB LYS 38 2HB LYS 38 -1.713 3.437 -11.082 280 2HB LYS 38 3HB LYS 38 -0.523 3.774 -9.847 281 1HG LYS 38 2HG LYS 38 0.304 4.814 -11.744 282 2HG LYS 38 3HG LYS 38 1.333 3.423 -11.413 283 1HD LYS 38 2HD LYS 38 0.988 3.730 -13.792 284 2HD LYS 38 3HD LYS 38 0.364 2.181 -13.250 285 1HE LYS 38 2HE LYS 38 -1.967 3.138 -13.250 286 2HE LYS 38 3HE LYS 38 -1.313 4.689 -13.798 287 1HZ LYS 38 1HZ LYS 38 -1.096 2.123 -15.235 288 2HZ LYS 38 2HZ LYS 38 -2.206 3.291 -15.575 289 3HZ LYS 38 3HZ LYS 38 -0.597 3.580 -15.805 290 H LYS 39 H LYS 39 -0.765 -0.530 -9.163 291 HA LYS 39 HA LYS 39 -2.937 0.351 -7.297 292 1HB LYS 39 2HB LYS 39 -3.545 -1.147 -9.417 293 2HB LYS 39 3HB LYS 39 -2.769 -2.421 -8.478 294 1HG LYS 39 2HG LYS 39 -4.940 -2.701 -7.839 295 2HG LYS 39 3HG LYS 39 -4.383 -1.635 -6.542 296 1HD LYS 39 2HD LYS 39 -5.234 0.340 -7.865 297 2HD LYS 39 3HD LYS 39 -5.856 -0.762 -9.091 298 1HE LYS 39 2HE LYS 39 -6.725 -0.606 -6.162 299 2HE LYS 39 3HE LYS 39 -7.632 -0.019 -7.573 300 1HZ LYS 39 1HZ LYS 39 -8.472 -2.121 -6.885 301 2HZ LYS 39 2HZ LYS 39 -7.702 -2.374 -8.321 302 3HZ LYS 39 3HZ LYS 39 -7.031 -2.823 -6.882 303 H VAL 40 H VAL 40 -2.801 -0.552 -5.160 304 HA VAL 40 HA VAL 40 -0.792 -2.665 -4.712 305 HB VAL 40 HB VAL 40 -1.440 -0.079 -3.284 306 1HG1 VAL 40 1HG1 VAL 40 -2.110 -1.609 -1.636 307 2HG1 VAL 40 2HG1 VAL 40 -0.646 -2.616 -1.842 308 3HG1 VAL 40 3HG1 VAL 40 -0.525 -0.965 -1.173 309 1HG2 VAL 40 1HG2 VAL 40 0.604 -0.503 -4.692 310 2HG2 VAL 40 2HG2 VAL 40 0.937 0.008 -3.019 311 3HG2 VAL 40 3HG2 VAL 40 1.116 -1.701 -3.485 312 H CYS 41 H CYS 41 -1.573 -4.371 -3.606 313 HA CYS 41 HA CYS 41 -4.334 -4.230 -2.538 314 1HB CYS 41 2HB CYS 41 -4.800 -6.476 -3.199 315 2HB CYS 41 3HB CYS 41 -4.415 -5.569 -4.668 316 HG CYS 41 HG CYS 41 -3.523 -7.962 -4.871 317 H ILE 42 H ILE 42 -4.483 -5.218 -0.492 318 HA ILE 42 HA ILE 42 -2.015 -6.521 0.553 319 HB ILE 42 HB ILE 42 -3.533 -4.400 2.085 320 1HG1 ILE 42 2HG1 ILE 42 -0.948 -4.094 0.482 321 2HG1 ILE 42 3HG1 ILE 42 -2.467 -3.245 0.202 322 1HG2 ILE 42 1HG2 ILE 42 -0.789 -5.598 2.571 323 2HG2 ILE 42 2HG2 ILE 42 -1.700 -4.539 3.650 324 3HG2 ILE 42 3HG2 ILE 42 -2.271 -6.169 3.368 325 1HD1 ILE 42 1HD1 ILE 42 -0.976 -1.729 1.285 326 2HD1 ILE 42 2HD1 ILE 42 -2.226 -2.171 2.465 327 3HD1 ILE 42 3HD1 ILE 42 -0.602 -2.897 2.561 328 H GLU 43 H GLU 43 -2.390 -8.264 1.692 329 HA GLU 43 HA GLU 43 -5.146 -8.823 2.715 330 1HB GLU 43 2HB GLU 43 -4.717 -9.867 0.429 331 2HB GLU 43 3HB GLU 43 -3.456 -10.848 1.186 332 1HG GLU 43 2HG GLU 43 -5.165 -11.784 2.736 333 2HG GLU 43 3HG GLU 43 -6.413 -10.784 1.978 334 H SER 44 H SER 44 -4.422 -8.308 4.820 335 HA SER 44 HA SER 44 -2.822 -10.300 6.138 336 1HB SER 44 2HB SER 44 -1.467 -8.031 5.090 337 2HB SER 44 3HB SER 44 -1.669 -7.683 6.809 338 HG SER 44 HG SER 44 -0.436 -9.455 7.284 339 H GLU 45 H GLU 45 -2.932 -9.909 8.485 340 HA GLU 45 HA GLU 45 -5.557 -9.046 9.218 341 1HB GLU 45 2HB GLU 45 -5.097 -9.992 11.361 342 2HB GLU 45 3HB GLU 45 -4.658 -11.083 10.037 343 1HG GLU 45 2HG GLU 45 -2.282 -10.142 10.251 344 2HG GLU 45 3HG GLU 45 -2.854 -9.370 11.733 345 H HIS 46 H HIS 46 -2.811 -7.153 8.908 346 HA HIS 46 HA HIS 46 -3.090 -5.474 11.259 347 1HB HIS 46 2HB HIS 46 -1.843 -5.050 8.529 348 2HB HIS 46 3HB HIS 46 -1.931 -3.766 9.737 349 HD1 HIS 46 1HD HIS 46 -0.502 -4.156 12.051 350 HD2 HIS 46 2HD HIS 46 0.200 -6.686 8.777 351 HE1 HIS 46 1HE HIS 46 1.820 -5.154 12.387 352 H SER 47 H SER 47 -4.483 -3.793 11.609 353 HA SER 47 HA SER 47 -6.907 -3.728 10.192 354 1HB SER 47 2HB SER 47 -6.652 -3.008 12.545 355 2HB SER 47 3HB SER 47 -5.783 -1.560 11.996 356 HG SER 47 HG SER 47 -7.999 -1.132 12.287 357 H MET 48 H MET 48 -7.830 -2.348 8.811 358 HA MET 48 HA MET 48 -6.444 -1.371 6.584 359 1HB MET 48 2HB MET 48 -9.106 -0.257 7.589 360 2HB MET 48 3HB MET 48 -8.509 -0.338 5.929 361 1HG MET 48 2HG MET 48 -8.614 -2.874 6.138 362 2HG MET 48 3HG MET 48 -9.405 -2.642 7.703 363 1HE MET 48 1HE MET 48 -12.506 -3.808 5.820 364 2HE MET 48 2HE MET 48 -10.861 -4.480 5.815 365 3HE MET 48 3HE MET 48 -11.576 -3.891 7.332 366 H ASP 49 H ASP 49 -7.773 0.325 9.368 367 HA ASP 49 HA ASP 49 -7.019 2.997 9.097 368 1HB ASP 49 2HB ASP 49 -8.282 2.521 11.004 369 2HB ASP 49 3HB ASP 49 -7.373 1.055 11.386 370 H THR 50 H THR 50 -5.252 0.614 10.886 371 HA THR 50 HA THR 50 -3.037 2.100 11.440 372 HB THR 50 HB THR 50 -3.198 -0.930 11.177 373 HG1 THR 50 1HG THR 50 -4.524 0.878 12.791 374 1HG2 THR 50 1HG2 THR 50 -0.927 -0.203 11.687 375 2HG2 THR 50 2HG2 THR 50 -1.519 0.827 13.014 376 3HG2 THR 50 3HG2 THR 50 -1.666 -0.943 13.115 377 H LEU 51 H LEU 51 -3.473 -0.175 8.692 378 HA LEU 51 HA LEU 51 -0.861 0.305 7.548 379 1HB LEU 51 2HB LEU 51 -3.463 -0.388 6.121 380 2HB LEU 51 3HB LEU 51 -1.828 -0.406 5.427 381 HG LEU 51 HG LEU 51 -2.883 -2.177 7.710 382 1HD1 LEU 51 1HD1 LEU 51 -2.135 -2.750 4.834 383 2HD1 LEU 51 2HD1 LEU 51 -2.594 -3.985 6.035 384 3HD1 LEU 51 3HD1 LEU 51 -3.775 -2.769 5.515 385 1HD2 LEU 51 1HD2 LEU 51 -0.674 -3.394 7.365 386 2HD2 LEU 51 2HD2 LEU 51 -0.123 -1.976 6.453 387 3HD2 LEU 51 3HD2 LEU 51 -0.562 -1.829 8.168 388 H LEU 52 H LEU 52 -4.056 1.713 6.626 389 HA LEU 52 HA LEU 52 -3.213 3.506 4.727 390 1HB LEU 52 2HB LEU 52 -5.495 3.351 6.602 391 2HB LEU 52 3HB LEU 52 -5.183 4.977 6.014 392 HG LEU 52 HG LEU 52 -5.455 2.579 4.195 393 1HD1 LEU 52 1HD1 LEU 52 -7.627 4.454 5.189 394 2HD1 LEU 52 2HD1 LEU 52 -7.815 3.292 3.860 395 3HD1 LEU 52 3HD1 LEU 52 -7.488 2.707 5.492 396 1HD2 LEU 52 1HD2 LEU 52 -4.391 4.673 3.240 397 2HD2 LEU 52 2HD2 LEU 52 -5.945 4.330 2.491 398 3HD2 LEU 52 3HD2 LEU 52 -5.827 5.587 3.731 399 H ALA 53 H ALA 53 -3.587 4.305 8.193 400 HA ALA 53 HA ALA 53 -2.589 6.915 8.077 401 1HB ALA 53 1HB ALA 53 -3.824 5.957 10.005 402 2HB ALA 53 2HB ALA 53 -2.442 4.903 10.373 403 3HB ALA 53 3HB ALA 53 -2.283 6.667 10.531 404 H THR 54 H THR 54 -0.801 3.856 8.406 405 HA THR 54 HA THR 54 1.739 5.138 8.910 406 HB THR 54 HB THR 54 1.060 2.340 7.893 407 HG1 THR 54 1HG THR 54 0.366 2.596 9.930 408 1HG2 THR 54 1HG2 THR 54 3.700 3.535 8.807 409 2HG2 THR 54 2HG2 THR 54 3.374 1.806 8.581 410 3HG2 THR 54 3HG2 THR 54 3.307 2.886 7.192 411 H LEU 55 H LEU 55 0.328 3.581 5.983 412 HA LEU 55 HA LEU 55 2.547 4.253 4.352 413 1HB LEU 55 2HB LEU 55 1.295 3.485 2.503 414 2HB LEU 55 3HB LEU 55 1.361 2.404 3.860 415 HG LEU 55 HG LEU 55 -1.000 3.140 4.433 416 1HD1 LEU 55 1HD1 LEU 55 -0.540 4.292 1.735 417 2HD1 LEU 55 2HD1 LEU 55 -2.199 3.935 2.307 418 3HD1 LEU 55 3HD1 LEU 55 -1.186 5.122 3.152 419 1HD2 LEU 55 1HD2 LEU 55 -1.893 1.552 2.741 420 2HD2 LEU 55 2HD2 LEU 55 -0.364 1.696 1.836 421 3HD2 LEU 55 3HD2 LEU 55 -0.374 0.983 3.466 422 H LYS 56 H LYS 56 -0.339 6.005 5.011 423 HA LYS 56 HA LYS 56 -0.405 8.075 3.335 424 1HB LYS 56 2HB LYS 56 -1.548 7.663 5.711 425 2HB LYS 56 3HB LYS 56 -0.263 8.703 6.317 426 1HG LYS 56 2HG LYS 56 -1.070 10.439 4.635 427 2HG LYS 56 3HG LYS 56 -2.366 9.283 4.219 428 1HD LYS 56 2HD LYS 56 -3.131 9.278 6.578 429 2HD LYS 56 3HD LYS 56 -1.863 10.449 6.996 430 1HE LYS 56 2HE LYS 56 -2.873 12.107 5.432 431 2HE LYS 56 3HE LYS 56 -4.118 10.931 4.977 432 1HZ LYS 56 1HZ LYS 56 -3.749 12.062 7.674 433 2HZ LYS 56 2HZ LYS 56 -4.922 12.481 6.602 434 3HZ LYS 56 3HZ LYS 56 -4.904 10.970 7.244 435 H LYS 57 H LYS 57 2.119 7.559 5.798 436 HA LYS 57 HA LYS 57 3.258 10.166 5.717 437 1HB LYS 57 2HB LYS 57 4.445 7.507 6.567 438 2HB LYS 57 3HB LYS 57 5.161 9.100 6.894 439 1HG LYS 57 2HG LYS 57 3.013 9.739 8.068 440 2HG LYS 57 3HG LYS 57 2.457 8.073 7.862 441 1HD LYS 57 2HD LYS 57 4.898 8.979 9.448 442 2HD LYS 57 3HD LYS 57 3.334 8.447 10.093 443 1HE LYS 57 2HE LYS 57 3.746 6.221 8.830 444 2HE LYS 57 3HE LYS 57 5.412 6.769 8.608 445 1HZ LYS 57 1HZ LYS 57 4.045 6.364 11.191 446 2HZ LYS 57 2HZ LYS 57 5.177 5.377 10.532 447 3HZ LYS 57 3HZ LYS 57 5.597 6.892 11.016 448 H THR 58 H THR 58 3.475 7.657 3.316 449 HA THR 58 HA THR 58 6.043 8.438 2.223 450 HB THR 58 HB THR 58 5.266 7.420 0.165 451 HG1 THR 58 1HG THR 58 2.768 6.986 1.446 452 1HG2 THR 58 1HG2 THR 58 4.804 5.149 0.987 453 2HG2 THR 58 2HG2 THR 58 6.113 5.945 1.892 454 3HG2 THR 58 3HG2 THR 58 4.500 5.807 2.612 455 H GLY 59 H GLY 59 2.842 9.902 2.228 456 1HA GLY 59 2HA GLY 59 2.060 11.817 1.322 457 2HA GLY 59 3HA GLY 59 3.720 12.277 0.892 458 H LYS 60 H LYS 60 2.386 9.205 -0.251 459 HA LYS 60 HA LYS 60 2.145 10.280 -3.028 460 1HB LYS 60 2HB LYS 60 1.992 7.431 -1.942 461 2HB LYS 60 3HB LYS 60 1.923 7.877 -3.638 462 1HG LYS 60 2HG LYS 60 4.260 8.103 -1.714 463 2HG LYS 60 3HG LYS 60 4.139 7.063 -3.133 464 1HD LYS 60 2HD LYS 60 4.413 10.087 -3.032 465 2HD LYS 60 3HD LYS 60 5.641 8.930 -3.551 466 1HE LYS 60 2HE LYS 60 4.233 8.245 -5.506 467 2HE LYS 60 3HE LYS 60 2.953 9.327 -4.966 468 1HZ LYS 60 1HZ LYS 60 4.615 11.159 -5.253 469 2HZ LYS 60 2HZ LYS 60 5.447 10.097 -6.240 470 3HZ LYS 60 3HZ LYS 60 3.881 10.473 -6.536 471 H THR 61 H THR 61 0.127 9.938 -4.235 472 HA THR 61 HA THR 61 -2.297 10.027 -2.777 473 HB THR 61 HB THR 61 -1.930 9.232 -5.658 474 HG1 THR 61 1HG THR 61 -1.462 11.831 -4.618 475 1HG2 THR 61 1HG2 THR 61 -3.747 11.259 -4.285 476 2HG2 THR 61 2HG2 THR 61 -3.780 10.828 -6.012 477 3HG2 THR 61 3HG2 THR 61 -4.227 9.619 -4.787 478 H VAL 62 H VAL 62 -1.219 7.908 -1.657 479 HA VAL 62 HA VAL 62 -2.115 5.393 -2.953 480 HB VAL 62 HB VAL 62 -0.008 5.187 -2.043 481 1HG1 VAL 62 1HG1 VAL 62 0.609 5.548 0.297 482 2HG1 VAL 62 2HG1 VAL 62 0.173 7.042 -0.496 483 3HG1 VAL 62 3HG1 VAL 62 -0.977 6.293 0.619 484 1HG2 VAL 62 1HG2 VAL 62 -0.300 3.346 -0.496 485 2HG2 VAL 62 2HG2 VAL 62 -1.948 3.879 -0.099 486 3HG2 VAL 62 3HG2 VAL 62 -1.574 3.302 -1.722 487 H SER 63 H SER 63 -4.269 5.708 -3.069 488 HA SER 63 HA SER 63 -5.809 6.390 -0.591 489 1HB SER 63 2HB SER 63 -6.679 6.346 -3.512 490 2HB SER 63 3HB SER 63 -7.608 6.966 -2.133 491 HG SER 63 HG SER 63 -5.704 8.410 -1.829 492 H TYR 64 H TYR 64 -7.648 5.060 -0.052 493 HA TYR 64 HA TYR 64 -7.324 2.195 -0.701 494 1HB TYR 64 2HB TYR 64 -7.435 2.996 1.607 495 2HB TYR 64 3HB TYR 64 -9.041 3.674 1.335 496 HD1 TYR 64 HD1 TYR 64 -7.338 1.001 2.778 497 HD2 TYR 64 HD2 TYR 64 -10.887 1.888 0.494 498 HE1 TYR 64 HE1 TYR 64 -8.334 -1.157 3.446 499 HE2 TYR 64 HE2 TYR 64 -11.738 -0.392 0.946 500 HH TYR 64 HH TYR 64 -10.680 -2.600 1.325 501 H LEU 65 H LEU 65 -8.722 1.177 -2.119 502 HA LEU 65 HA LEU 65 -11.513 1.963 -2.241 503 1HB LEU 65 2HB LEU 65 -11.417 1.966 -4.803 504 2HB LEU 65 3HB LEU 65 -11.133 3.422 -3.876 505 HG LEU 65 HG LEU 65 -9.670 3.122 -5.798 506 1HD1 LEU 65 1HD1 LEU 65 -7.881 4.214 -4.970 507 2HD1 LEU 65 2HD1 LEU 65 -9.122 4.520 -3.753 508 3HD1 LEU 65 3HD1 LEU 65 -7.888 3.269 -3.487 509 1HD2 LEU 65 1HD2 LEU 65 -8.290 0.877 -4.355 510 2HD2 LEU 65 2HD2 LEU 65 -9.248 0.776 -5.857 511 3HD2 LEU 65 3HD2 LEU 65 -7.749 1.688 -5.834 512 H GLY 66 H GLY 66 -11.452 -0.211 -1.186 513 1HA GLY 66 2HA GLY 66 -13.079 -1.807 -2.385 514 2HA GLY 66 3HA GLY 66 -11.643 -2.400 -3.223 515 H LEU 67 H LEU 67 -13.454 -3.832 -1.314 516 HA LEU 67 HA LEU 67 -11.491 -4.822 0.623 517 1HB LEU 67 2HB LEU 67 -12.827 -3.436 2.019 518 2HB LEU 67 3HB LEU 67 -14.256 -3.641 1.000 519 HG LEU 67 HG LEU 67 -14.509 -5.934 1.702 520 1HD1 LEU 67 1HD1 LEU 67 -12.272 -5.296 3.707 521 2HD1 LEU 67 2HD1 LEU 67 -13.266 -6.768 3.718 522 3HD1 LEU 67 3HD1 LEU 67 -12.148 -6.465 2.384 523 1HD2 LEU 67 1HD2 LEU 67 -15.336 -5.426 3.987 524 2HD2 LEU 67 2HD2 LEU 67 -14.399 -3.915 3.982 525 3HD2 LEU 67 3HD2 LEU 67 -15.736 -4.140 2.835 526 H GLU 68 H GLU 68 -11.495 -7.073 0.363 527 HA GLU 68 HA GLU 68 -13.792 -8.434 -0.941 528 1HB GLU 68 2HB GLU 68 -12.023 -8.073 -2.637 529 2HB GLU 68 3HB GLU 68 -10.818 -8.674 -1.506 530 1HG GLU 68 2HG GLU 68 -11.962 -10.922 -1.561 531 2HG GLU 68 3HG GLU 68 -13.013 -10.291 -2.842 Start of MODEL 12 1 1H MET 1 H1 MET 1 -8.305 -10.804 8.568 2 2H MET 1 H2 MET 1 -9.260 -9.810 9.431 3 3H MET 1 H3 MET 1 -9.873 -11.127 8.637 4 HA MET 1 HA MET 1 -10.515 -9.264 7.384 5 1HB MET 1 2HB MET 1 -7.568 -8.469 7.386 6 2HB MET 1 3HB MET 1 -8.865 -7.666 6.498 7 1HG MET 1 2HG MET 1 -8.467 -6.364 8.447 8 2HG MET 1 3HG MET 1 -10.009 -7.192 8.677 9 1HE MET 1 1HE MET 1 -8.879 -5.826 11.119 10 2HE MET 1 2HE MET 1 -10.256 -6.957 11.207 11 3HE MET 1 3HE MET 1 -8.902 -7.110 12.352 12 HA PRO 2 HA PRO 2 -8.990 -11.736 3.852 13 1HB PRO 2 2HB PRO 2 -10.660 -10.967 1.911 14 2HB PRO 2 3HB PRO 2 -11.263 -11.826 3.332 15 1HG PRO 2 2HG PRO 2 -11.320 -8.819 2.941 16 2HG PRO 2 3HG PRO 2 -12.666 -9.891 3.392 17 1HD PRO 2 2HD PRO 2 -11.095 -8.502 5.204 18 2HD PRO 2 3HD PRO 2 -11.853 -10.080 5.588 19 H LYS 3 H LYS 3 -9.706 -9.100 1.632 20 HA LYS 3 HA LYS 3 -7.034 -7.918 2.112 21 1HB LYS 3 2HB LYS 3 -6.607 -7.865 -0.295 22 2HB LYS 3 3HB LYS 3 -6.610 -9.485 0.405 23 1HG LYS 3 2HG LYS 3 -8.735 -10.009 -0.386 24 2HG LYS 3 3HG LYS 3 -9.102 -8.332 -0.812 25 1HD LYS 3 2HD LYS 3 -6.773 -9.779 -2.111 26 2HD LYS 3 3HD LYS 3 -8.420 -10.031 -2.720 27 1HE LYS 3 2HE LYS 3 -8.746 -7.714 -3.248 28 2HE LYS 3 3HE LYS 3 -7.318 -7.206 -2.344 29 1HZ LYS 3 1HZ LYS 3 -5.929 -8.190 -3.940 30 2HZ LYS 3 2HZ LYS 3 -7.210 -8.822 -4.796 31 3HZ LYS 3 3HZ LYS 3 -6.995 -7.188 -4.680 32 H HIS 4 H HIS 4 -6.631 -5.929 1.040 33 HA HIS 4 HA HIS 4 -9.021 -4.158 0.773 34 1HB HIS 4 2HB HIS 4 -6.406 -3.738 2.292 35 2HB HIS 4 3HB HIS 4 -7.604 -2.493 2.039 36 HD1 HIS 4 1HD HIS 4 -9.828 -5.185 2.703 37 HD2 HIS 4 2HD HIS 4 -6.834 -3.304 4.970 38 HE1 HIS 4 1HE HIS 4 -10.395 -5.606 5.161 39 H GLU 5 H GLU 5 -8.931 -2.811 -1.020 40 HA GLU 5 HA GLU 5 -6.561 -3.025 -2.812 41 1HB GLU 5 2HB GLU 5 -9.482 -2.300 -3.066 42 2HB GLU 5 3HB GLU 5 -8.370 -1.906 -4.361 43 1HG GLU 5 2HG GLU 5 -8.626 -4.723 -3.164 44 2HG GLU 5 3HG GLU 5 -9.646 -4.142 -4.472 45 H PHE 6 H PHE 6 -5.440 -1.194 -3.549 46 HA PHE 6 HA PHE 6 -6.346 1.463 -2.663 47 1HB PHE 6 2HB PHE 6 -3.485 0.497 -2.292 48 2HB PHE 6 3HB PHE 6 -4.139 2.053 -1.815 49 HD1 PHE 6 1HD PHE 6 -4.704 2.345 0.544 50 HD2 PHE 6 2HD PHE 6 -4.394 -1.635 -1.142 51 HE1 PHE 6 1HE PHE 6 -4.893 1.356 2.772 52 HE2 PHE 6 2HE PHE 6 -4.729 -2.593 1.098 53 HZ PHE 6 HZ PHE 6 -4.999 -1.102 3.074 54 H SER 7 H SER 7 -5.907 3.050 -4.119 55 HA SER 7 HA SER 7 -4.519 2.371 -6.665 56 1HB SER 7 2HB SER 7 -6.799 3.487 -6.708 57 2HB SER 7 3HB SER 7 -6.058 4.899 -5.928 58 HG SER 7 HG SER 7 -4.650 4.992 -7.782 59 H VAL 8 H VAL 8 -2.441 3.242 -7.029 60 HA VAL 8 HA VAL 8 -1.298 4.947 -4.879 61 HB VAL 8 HB VAL 8 -0.127 2.405 -6.093 62 1HG1 VAL 8 1HG1 VAL 8 1.540 2.704 -4.338 63 2HG1 VAL 8 2HG1 VAL 8 1.413 4.258 -5.193 64 3HG1 VAL 8 3HG1 VAL 8 0.625 4.057 -3.629 65 1HG2 VAL 8 1HG2 VAL 8 -1.714 2.885 -3.536 66 2HG2 VAL 8 2HG2 VAL 8 -1.897 1.596 -4.727 67 3HG2 VAL 8 3HG2 VAL 8 -0.494 1.607 -3.642 68 H ASP 9 H ASP 9 -0.647 6.803 -5.983 69 HA ASP 9 HA ASP 9 0.374 6.592 -8.695 70 1HB ASP 9 2HB ASP 9 -0.354 8.785 -8.011 71 2HB ASP 9 3HB ASP 9 0.867 8.822 -6.713 72 H MET 10 H MET 10 1.656 4.706 -8.423 73 HA MET 10 HA MET 10 4.374 5.098 -7.343 74 1HB MET 10 2HB MET 10 3.146 2.943 -9.092 75 2HB MET 10 3HB MET 10 4.854 2.990 -8.590 76 1HG MET 10 2HG MET 10 4.173 3.118 -6.213 77 2HG MET 10 3HG MET 10 2.474 3.038 -6.690 78 1HE MET 10 1HE MET 10 1.181 0.940 -7.342 79 2HE MET 10 2HE MET 10 2.233 0.787 -8.770 80 3HE MET 10 3HE MET 10 1.967 -0.610 -7.699 81 H THR 11 H THR 11 4.963 7.052 -8.203 82 HA THR 11 HA THR 11 4.399 7.901 -10.780 83 HB THR 11 HB THR 11 6.711 9.041 -9.226 84 HG1 THR 11 1HG THR 11 4.098 9.294 -8.185 85 1HG2 THR 11 1HG2 THR 11 5.501 11.149 -9.603 86 2HG2 THR 11 2HG2 THR 11 5.724 10.273 -11.133 87 3HG2 THR 11 3HG2 THR 11 4.141 10.266 -10.323 88 H CYS 12 H CYS 12 7.269 6.351 -9.343 89 HA CYS 12 HA CYS 12 8.196 5.460 -11.941 90 1HB CYS 12 2HB CYS 12 9.418 7.582 -11.781 91 2HB CYS 12 3HB CYS 12 9.968 7.201 -10.132 92 HG CYS 12 HG CYS 12 11.524 5.345 -10.656 93 H GLY 13 H GLY 13 9.766 3.641 -11.485 94 1HA GLY 13 2HA GLY 13 8.868 1.710 -9.870 95 2HA GLY 13 3HA GLY 13 10.588 1.865 -10.241 96 H GLY 14 H GLY 14 11.457 3.978 -8.751 97 1HA GLY 14 2HA GLY 14 11.704 2.776 -6.270 98 2HA GLY 14 3HA GLY 14 12.214 4.448 -6.612 99 H CYS 15 H CYS 15 9.133 4.925 -7.270 100 HA CYS 15 HA CYS 15 8.294 5.751 -4.634 101 1HB CYS 15 2HB CYS 15 7.413 6.882 -6.580 102 2HB CYS 15 3HB CYS 15 6.637 5.373 -7.130 103 HG CYS 15 HG CYS 15 4.848 6.977 -6.006 104 H ALA 16 H ALA 16 7.750 2.903 -6.739 105 HA ALA 16 HA ALA 16 5.849 1.564 -5.032 106 1HB ALA 16 1HB ALA 16 6.221 -0.322 -6.436 107 2HB ALA 16 2HB ALA 16 6.307 1.112 -7.487 108 3HB ALA 16 3HB ALA 16 7.787 0.263 -6.991 109 H GLU 17 H GLU 17 9.426 1.393 -5.430 110 HA GLU 17 HA GLU 17 9.907 -0.472 -3.354 111 1HB GLU 17 2HB GLU 17 11.545 2.018 -3.926 112 2HB GLU 17 3HB GLU 17 11.985 0.591 -2.970 113 1HG GLU 17 2HG GLU 17 12.160 -0.794 -4.898 114 2HG GLU 17 3HG GLU 17 11.549 0.498 -5.949 115 H ALA 18 H ALA 18 9.433 3.110 -3.151 116 HA ALA 18 HA ALA 18 9.976 3.334 -0.365 117 1HB ALA 18 1HB ALA 18 8.856 5.470 -0.457 118 2HB ALA 18 2HB ALA 18 9.819 5.273 -1.939 119 3HB ALA 18 3HB ALA 18 8.050 5.058 -1.973 120 H VAL 19 H VAL 19 6.916 2.813 -2.137 121 HA VAL 19 HA VAL 19 5.228 2.669 0.124 122 HB VAL 19 HB VAL 19 5.010 1.453 -2.651 123 1HG1 VAL 19 1HG1 VAL 19 3.574 0.091 -1.232 124 2HG1 VAL 19 2HG1 VAL 19 2.917 1.548 -0.441 125 3HG1 VAL 19 3HG1 VAL 19 2.579 1.227 -2.152 126 1HG2 VAL 19 1HG2 VAL 19 3.570 3.807 -1.340 127 2HG2 VAL 19 2HG2 VAL 19 4.971 3.988 -2.406 128 3HG2 VAL 19 3HG2 VAL 19 3.472 3.305 -3.038 129 H SER 20 H SER 20 7.043 0.041 -1.596 130 HA SER 20 HA SER 20 6.284 -2.055 0.158 131 1HB SER 20 2HB SER 20 7.578 -2.426 -1.928 132 2HB SER 20 3HB SER 20 8.996 -1.679 -1.179 133 HG SER 20 HG SER 20 7.696 -4.078 -0.401 134 H ARG 21 H ARG 21 9.176 0.148 0.463 135 HA ARG 21 HA ARG 21 10.080 -0.861 2.884 136 1HB ARG 21 2HB ARG 21 10.287 1.915 1.664 137 2HB ARG 21 3HB ARG 21 11.096 1.444 3.168 138 1HG ARG 21 2HG ARG 21 12.199 -0.435 2.027 139 2HG ARG 21 3HG ARG 21 11.480 0.015 0.481 140 1HD ARG 21 2HD ARG 21 13.125 1.997 2.075 141 2HD ARG 21 3HD ARG 21 13.938 0.753 1.147 142 HE ARG 21 HE ARG 21 12.399 3.068 0.130 143 1HH1 ARG 21 2HH2 ARG 21 14.092 0.030 -0.816 144 2HH1 ARG 21 1HH2 ARG 21 14.299 0.638 -2.466 145 1HH2 ARG 21 2HH1 ARG 21 12.904 3.732 -2.117 146 2HH2 ARG 21 1HH1 ARG 21 13.691 2.502 -3.113 147 H VAL 22 H VAL 22 7.752 1.977 2.551 148 HA VAL 22 HA VAL 22 7.484 2.276 5.295 149 HB VAL 22 HB VAL 22 6.707 3.771 3.304 150 1HG1 VAL 22 1HG1 VAL 22 5.013 2.217 2.392 151 2HG1 VAL 22 2HG1 VAL 22 4.110 2.298 3.920 152 3HG1 VAL 22 3HG1 VAL 22 4.286 3.724 2.888 153 1HG2 VAL 22 1HG2 VAL 22 5.126 4.913 4.799 154 2HG2 VAL 22 2HG2 VAL 22 5.108 3.483 5.858 155 3HG2 VAL 22 3HG2 VAL 22 6.623 4.404 5.622 156 H LEU 23 H LEU 23 5.562 0.110 3.062 157 HA LEU 23 HA LEU 23 3.863 -0.794 5.173 158 1HB LEU 23 2HB LEU 23 4.621 -1.796 2.405 159 2HB LEU 23 3HB LEU 23 3.835 -2.874 3.515 160 HG LEU 23 HG LEU 23 2.135 -2.122 2.271 161 1HD1 LEU 23 1HD1 LEU 23 1.671 -2.008 4.769 162 2HD1 LEU 23 2HD1 LEU 23 1.851 -0.238 4.644 163 3HD1 LEU 23 3HD1 LEU 23 0.587 -1.057 3.739 164 1HD2 LEU 23 1HD2 LEU 23 1.586 0.226 1.795 165 2HD2 LEU 23 2HD2 LEU 23 3.111 0.701 2.585 166 3HD2 LEU 23 3HD2 LEU 23 3.133 -0.334 1.136 167 H ASN 24 H ASN 24 6.988 -2.241 3.974 168 HA ASN 24 HA ASN 24 6.995 -4.422 5.732 169 1HB ASN 24 2HB ASN 24 9.252 -2.684 4.660 170 2HB ASN 24 3HB ASN 24 9.476 -4.145 5.601 171 1HD2 ASN 24 1HD2 ASN 24 8.842 -2.925 2.481 172 2HD2 ASN 24 2HD2 ASN 24 8.752 -4.445 1.627 173 H LYS 25 H LYS 25 8.034 -1.042 6.228 174 HA LYS 25 HA LYS 25 9.017 -1.253 8.868 175 1HB LYS 25 2HB LYS 25 8.112 0.943 7.056 176 2HB LYS 25 3HB LYS 25 7.846 1.261 8.760 177 1HG LYS 25 2HG LYS 25 10.012 2.109 8.172 178 2HG LYS 25 3HG LYS 25 10.180 0.746 9.286 179 1HD LYS 25 2HD LYS 25 10.621 -0.728 7.189 180 2HD LYS 25 3HD LYS 25 10.579 0.760 6.253 181 1HE LYS 25 2HE LYS 25 12.884 0.196 6.661 182 2HE LYS 25 3HE LYS 25 12.499 1.660 7.576 183 1HZ LYS 25 1HZ LYS 25 12.301 0.288 9.547 184 2HZ LYS 25 2HZ LYS 25 12.612 -1.078 8.684 185 3HZ LYS 25 3HZ LYS 25 13.774 0.072 8.855 186 H LEU 26 H LEU 26 5.658 -1.183 7.763 187 HA LEU 26 HA LEU 26 4.461 -0.549 10.238 188 1HB LEU 26 2HB LEU 26 3.433 -0.871 7.915 189 2HB LEU 26 3HB LEU 26 3.391 -2.580 8.197 190 HG LEU 26 HG LEU 26 1.372 -0.943 8.606 191 1HD1 LEU 26 1HD1 LEU 26 1.811 -3.363 10.350 192 2HD1 LEU 26 2HD1 LEU 26 0.258 -2.568 9.972 193 3HD1 LEU 26 3HD1 LEU 26 1.191 -3.338 8.678 194 1HD2 LEU 26 1HD2 LEU 26 0.904 -0.375 10.890 195 2HD2 LEU 26 2HD2 LEU 26 2.376 -1.162 11.470 196 3HD2 LEU 26 3HD2 LEU 26 2.477 0.324 10.509 197 H GLY 27 H GLY 27 5.717 -3.577 8.911 198 1HA GLY 27 2HA GLY 27 6.697 -4.626 11.181 199 2HA GLY 27 3HA GLY 27 4.975 -5.029 11.357 200 H GLY 28 H GLY 28 4.031 -6.624 10.082 201 1HA GLY 28 2HA GLY 28 5.849 -8.361 8.440 202 2HA GLY 28 3HA GLY 28 4.879 -9.003 9.779 203 H VAL 29 H VAL 29 4.010 -6.439 7.548 204 HA VAL 29 HA VAL 29 1.443 -7.509 6.959 205 HB VAL 29 HB VAL 29 1.900 -5.120 7.008 206 1HG1 VAL 29 1HG1 VAL 29 4.230 -5.030 6.256 207 2HG1 VAL 29 2HG1 VAL 29 3.780 -5.667 4.668 208 3HG1 VAL 29 3HG1 VAL 29 3.218 -4.061 5.189 209 1HG2 VAL 29 1HG2 VAL 29 1.307 -5.772 4.096 210 2HG2 VAL 29 2HG2 VAL 29 0.115 -5.960 5.396 211 3HG2 VAL 29 3HG2 VAL 29 0.795 -4.366 5.030 212 H LYS 30 H LYS 30 0.637 -8.342 4.941 213 HA LYS 30 HA LYS 30 2.698 -8.847 2.834 214 1HB LYS 30 2HB LYS 30 1.967 -10.936 3.568 215 2HB LYS 30 3HB LYS 30 0.260 -10.479 3.465 216 1HG LYS 30 2HG LYS 30 1.054 -11.929 1.589 217 2HG LYS 30 3HG LYS 30 0.318 -10.398 1.088 218 1HD LYS 30 2HD LYS 30 2.599 -9.427 0.675 219 2HD LYS 30 3HD LYS 30 3.357 -10.869 1.324 220 1HE LYS 30 2HE LYS 30 3.176 -10.388 -1.209 221 2HE LYS 30 3HE LYS 30 2.953 -12.055 -0.639 222 1HZ LYS 30 1HZ LYS 30 0.629 -11.877 -1.006 223 2HZ LYS 30 2HZ LYS 30 0.648 -10.245 -1.090 224 3HZ LYS 30 3HZ LYS 30 1.227 -11.043 -2.306 225 H TYR 31 H TYR 31 2.640 -7.305 1.510 226 HA TYR 31 HA TYR 31 0.142 -6.129 0.406 227 1HB TYR 31 2HB TYR 31 1.702 -4.358 -0.454 228 2HB TYR 31 3HB TYR 31 1.516 -4.427 1.292 229 HD1 TYR 31 HD1 TYR 31 3.325 -4.888 2.720 230 HD2 TYR 31 HD2 TYR 31 3.812 -5.475 -1.489 231 HE1 TYR 31 HE1 TYR 31 5.751 -5.337 3.081 232 HE2 TYR 31 HE2 TYR 31 6.231 -5.923 -1.157 233 HH TYR 31 HH TYR 31 7.704 -6.101 2.075 234 H ASP 32 H ASP 32 0.055 -5.804 -1.888 235 HA ASP 32 HA ASP 32 1.745 -7.539 -3.623 236 1HB ASP 32 2HB ASP 32 -1.252 -7.361 -3.230 237 2HB ASP 32 3HB ASP 32 -0.564 -8.009 -4.716 238 H ILE 33 H ILE 33 2.683 -6.110 -4.969 239 HA ILE 33 HA ILE 33 1.495 -3.421 -5.296 240 HB ILE 33 HB ILE 33 4.287 -4.529 -5.702 241 1HG1 ILE 33 2HG1 ILE 33 3.744 -2.417 -3.665 242 2HG1 ILE 33 3HG1 ILE 33 3.030 -3.976 -3.278 243 1HG2 ILE 33 1HG2 ILE 33 3.959 -2.636 -7.219 244 2HG2 ILE 33 2HG2 ILE 33 3.243 -1.695 -5.890 245 3HG2 ILE 33 3HG2 ILE 33 4.963 -2.143 -5.848 246 1HD1 ILE 33 1HD1 ILE 33 5.159 -5.107 -3.428 247 2HD1 ILE 33 2HD1 ILE 33 5.958 -3.629 -4.032 248 3HD1 ILE 33 3HD1 ILE 33 5.331 -3.686 -2.374 249 H ASP 34 H ASP 34 0.309 -3.079 -7.097 250 HA ASP 34 HA ASP 34 0.883 -4.580 -9.596 251 1HB ASP 34 2HB ASP 34 -1.432 -4.493 -8.742 252 2HB ASP 34 3HB ASP 34 -1.382 -2.727 -8.869 253 H LEU 35 H LEU 35 2.796 -3.600 -10.110 254 HA LEU 35 HA LEU 35 3.270 -0.822 -9.903 255 1HB LEU 35 2HB LEU 35 4.998 -2.616 -9.813 256 2HB LEU 35 3HB LEU 35 4.794 -2.866 -11.545 257 HG LEU 35 HG LEU 35 5.499 -0.444 -11.904 258 1HD1 LEU 35 1HD1 LEU 35 6.197 -0.684 -8.946 259 2HD1 LEU 35 2HD1 LEU 35 6.784 0.607 -10.003 260 3HD1 LEU 35 3HD1 LEU 35 5.057 0.490 -9.649 261 1HD2 LEU 35 1HD2 LEU 35 7.471 -2.259 -10.446 262 2HD2 LEU 35 2HD2 LEU 35 7.082 -2.325 -12.181 263 3HD2 LEU 35 3HD2 LEU 35 7.894 -0.900 -11.503 264 HA PRO 36 HA PRO 36 2.570 -0.542 -14.637 265 1HB PRO 36 2HB PRO 36 0.798 -2.279 -15.846 266 2HB PRO 36 3HB PRO 36 2.575 -2.473 -15.831 267 1HG PRO 36 2HG PRO 36 0.557 -3.763 -13.991 268 2HG PRO 36 3HG PRO 36 1.925 -4.538 -14.834 269 1HD PRO 36 2HD PRO 36 2.086 -3.834 -12.276 270 2HD PRO 36 3HD PRO 36 3.495 -3.573 -13.339 271 H ASN 37 H ASN 37 -0.284 -1.960 -12.742 272 HA ASN 37 HA ASN 37 -1.951 0.104 -14.010 273 1HB ASN 37 2HB ASN 37 -2.750 -1.831 -11.842 274 2HB ASN 37 3HB ASN 37 -3.793 -0.796 -12.782 275 1HD2 ASN 37 1HD2 ASN 37 -1.689 -3.629 -12.988 276 2HD2 ASN 37 2HD2 ASN 37 -2.335 -4.225 -14.527 277 H LYS 38 H LYS 38 0.111 0.125 -11.204 278 HA LYS 38 HA LYS 38 0.555 1.823 -9.818 279 1HB LYS 38 2HB LYS 38 -1.475 3.455 -11.393 280 2HB LYS 38 3HB LYS 38 -0.436 4.046 -10.119 281 1HG LYS 38 2HG LYS 38 1.585 3.541 -11.405 282 2HG LYS 38 3HG LYS 38 0.643 2.662 -12.606 283 1HD LYS 38 2HD LYS 38 1.140 4.779 -13.590 284 2HD LYS 38 3HD LYS 38 -0.578 4.703 -13.226 285 1HE LYS 38 2HE LYS 38 0.066 6.891 -12.598 286 2HE LYS 38 3HE LYS 38 -0.095 6.029 -11.075 287 1HZ LYS 38 1HZ LYS 38 2.396 6.755 -12.475 288 2HZ LYS 38 2HZ LYS 38 1.849 7.288 -11.024 289 3HZ LYS 38 3HZ LYS 38 2.403 5.755 -11.179 290 H LYS 39 H LYS 39 -0.758 -0.238 -8.947 291 HA LYS 39 HA LYS 39 -2.589 0.933 -6.948 292 1HB LYS 39 2HB LYS 39 -3.188 -1.663 -8.440 293 2HB LYS 39 3HB LYS 39 -4.088 -0.977 -7.080 294 1HG LYS 39 2HG LYS 39 -4.875 0.860 -8.440 295 2HG LYS 39 3HG LYS 39 -3.828 0.390 -9.778 296 1HD LYS 39 2HD LYS 39 -6.137 -0.281 -10.163 297 2HD LYS 39 3HD LYS 39 -5.047 -1.663 -10.172 298 1HE LYS 39 2HE LYS 39 -6.609 -0.876 -7.660 299 2HE LYS 39 3HE LYS 39 -7.362 -1.832 -8.939 300 1HZ LYS 39 1HZ LYS 39 -5.734 -3.536 -8.626 301 2HZ LYS 39 2HZ LYS 39 -4.950 -2.663 -7.473 302 3HZ LYS 39 3HZ LYS 39 -6.458 -3.179 -7.191 303 H VAL 40 H VAL 40 -2.795 -0.562 -5.012 304 HA VAL 40 HA VAL 40 -0.855 -2.745 -4.857 305 HB VAL 40 HB VAL 40 -1.406 -0.349 -3.059 306 1HG1 VAL 40 1HG1 VAL 40 -1.956 -2.102 -1.662 307 2HG1 VAL 40 2HG1 VAL 40 -0.484 -3.036 -2.082 308 3HG1 VAL 40 3HG1 VAL 40 -0.362 -1.505 -1.169 309 1HG2 VAL 40 1HG2 VAL 40 0.584 -0.360 -4.558 310 2HG2 VAL 40 2HG2 VAL 40 1.013 -0.291 -2.834 311 3HG2 VAL 40 3HG2 VAL 40 1.178 -1.815 -3.722 312 H CYS 41 H CYS 41 -1.827 -4.474 -3.720 313 HA CYS 41 HA CYS 41 -4.349 -3.839 -2.353 314 1HB CYS 41 2HB CYS 41 -5.573 -5.481 -3.092 315 2HB CYS 41 3HB CYS 41 -4.526 -5.569 -4.504 316 HG CYS 41 HG CYS 41 -3.081 -7.505 -3.673 317 H ILE 42 H ILE 42 -4.508 -5.004 -0.327 318 HA ILE 42 HA ILE 42 -1.946 -6.234 0.543 319 HB ILE 42 HB ILE 42 -3.546 -4.280 2.204 320 1HG1 ILE 42 2HG1 ILE 42 -0.920 -3.941 0.663 321 2HG1 ILE 42 3HG1 ILE 42 -2.416 -3.040 0.411 322 1HG2 ILE 42 1HG2 ILE 42 -2.341 -6.084 3.443 323 2HG2 ILE 42 2HG2 ILE 42 -0.817 -5.492 2.740 324 3HG2 ILE 42 3HG2 ILE 42 -1.767 -4.470 3.834 325 1HD1 ILE 42 1HD1 ILE 42 -0.582 -2.827 2.807 326 2HD1 ILE 42 2HD1 ILE 42 -0.828 -1.635 1.524 327 3HD1 ILE 42 3HD1 ILE 42 -2.150 -1.989 2.647 328 H GLU 43 H GLU 43 -2.210 -8.060 1.532 329 HA GLU 43 HA GLU 43 -4.984 -9.031 2.171 330 1HB GLU 43 2HB GLU 43 -4.180 -9.739 -0.089 331 2HB GLU 43 3HB GLU 43 -2.756 -10.477 0.642 332 1HG GLU 43 2HG GLU 43 -4.108 -12.148 1.746 333 2HG GLU 43 3HG GLU 43 -5.611 -11.306 1.338 334 H SER 44 H SER 44 -4.489 -8.463 4.325 335 HA SER 44 HA SER 44 -2.526 -10.083 5.757 336 1HB SER 44 2HB SER 44 -1.433 -8.001 4.505 337 2HB SER 44 3HB SER 44 -2.149 -7.071 5.827 338 HG SER 44 HG SER 44 -0.929 -8.430 7.255 339 H GLU 45 H GLU 45 -3.119 -10.160 7.972 340 HA GLU 45 HA GLU 45 -5.659 -8.964 8.691 341 1HB GLU 45 2HB GLU 45 -3.703 -10.546 10.392 342 2HB GLU 45 3HB GLU 45 -5.385 -10.154 10.762 343 1HG GLU 45 2HG GLU 45 -5.476 -11.340 8.164 344 2HG GLU 45 3HG GLU 45 -4.323 -12.316 9.086 345 H HIS 46 H HIS 46 -4.775 -6.771 8.159 346 HA HIS 46 HA HIS 46 -4.142 -5.416 10.726 347 1HB HIS 46 2HB HIS 46 -2.999 -4.696 7.993 348 2HB HIS 46 3HB HIS 46 -2.851 -3.712 9.453 349 HD1 HIS 46 1HD HIS 46 -1.787 -5.711 11.565 350 HD2 HIS 46 2HD HIS 46 -0.612 -5.595 7.532 351 HE1 HIS 46 1HE HIS 46 0.588 -6.644 11.461 352 H SER 47 H SER 47 -5.328 -3.399 10.881 353 HA SER 47 HA SER 47 -7.777 -3.426 9.325 354 1HB SER 47 2HB SER 47 -7.713 -2.681 11.697 355 2HB SER 47 3HB SER 47 -6.760 -1.267 11.208 356 HG SER 47 HG SER 47 -9.006 -0.818 11.284 357 H MET 48 H MET 48 -8.515 -1.714 8.041 358 HA MET 48 HA MET 48 -6.909 -0.744 5.914 359 1HB MET 48 2HB MET 48 -9.458 0.441 7.129 360 2HB MET 48 3HB MET 48 -8.780 0.851 5.545 361 1HG MET 48 2HG MET 48 -9.125 -1.451 4.780 362 2HG MET 48 3HG MET 48 -9.745 -1.909 6.379 363 1HE MET 48 1HE MET 48 -11.901 -2.973 5.470 364 2HE MET 48 2HE MET 48 -12.946 -2.192 4.258 365 3HE MET 48 3HE MET 48 -11.281 -2.661 3.828 366 H ASP 49 H ASP 49 -8.023 0.734 8.912 367 HA ASP 49 HA ASP 49 -6.874 3.291 8.917 368 1HB ASP 49 2HB ASP 49 -8.242 2.890 10.766 369 2HB ASP 49 3HB ASP 49 -7.670 1.233 10.979 370 H THR 50 H THR 50 -5.536 0.499 10.483 371 HA THR 50 HA THR 50 -3.178 1.582 11.244 372 HB THR 50 HB THR 50 -3.628 -1.348 10.566 373 HG1 THR 50 1HG THR 50 -4.903 0.345 12.386 374 1HG2 THR 50 1HG2 THR 50 -2.105 0.011 12.847 375 2HG2 THR 50 2HG2 THR 50 -2.327 -1.739 12.648 376 3HG2 THR 50 3HG2 THR 50 -1.366 -0.831 11.465 377 H LEU 51 H LEU 51 -3.805 -0.254 8.239 378 HA LEU 51 HA LEU 51 -1.125 -0.021 7.174 379 1HB LEU 51 2HB LEU 51 -3.807 -0.254 5.749 380 2HB LEU 51 3HB LEU 51 -2.216 -0.398 4.976 381 HG LEU 51 HG LEU 51 -3.117 -2.178 7.305 382 1HD1 LEU 51 1HD1 LEU 51 -3.475 -2.727 4.343 383 2HD1 LEU 51 2HD1 LEU 51 -3.761 -3.880 5.662 384 3HD1 LEU 51 3HD1 LEU 51 -4.754 -2.421 5.533 385 1HD2 LEU 51 1HD2 LEU 51 -0.957 -2.469 5.179 386 2HD2 LEU 51 2HD2 LEU 51 -0.706 -2.230 6.922 387 3HD2 LEU 51 3HD2 LEU 51 -1.417 -3.736 6.328 388 H LEU 52 H LEU 52 -4.116 1.806 6.344 389 HA LEU 52 HA LEU 52 -3.096 3.693 4.654 390 1HB LEU 52 2HB LEU 52 -5.342 3.726 6.651 391 2HB LEU 52 3HB LEU 52 -4.974 5.192 5.780 392 HG LEU 52 HG LEU 52 -5.576 2.528 4.454 393 1HD1 LEU 52 1HD1 LEU 52 -7.504 3.327 5.756 394 2HD1 LEU 52 2HD1 LEU 52 -7.433 4.888 4.909 395 3HD1 LEU 52 3HD1 LEU 52 -7.810 3.394 4.017 396 1HD2 LEU 52 1HD2 LEU 52 -4.360 3.978 2.902 397 2HD2 LEU 52 2HD2 LEU 52 -6.060 4.102 2.471 398 3HD2 LEU 52 3HD2 LEU 52 -5.308 5.394 3.409 399 H ALA 53 H ALA 53 -3.509 4.272 8.171 400 HA ALA 53 HA ALA 53 -2.297 6.787 8.209 401 1HB ALA 53 1HB ALA 53 -2.087 6.408 10.657 402 2HB ALA 53 2HB ALA 53 -3.662 5.845 10.061 403 3HB ALA 53 3HB ALA 53 -2.378 4.671 10.415 404 H THR 54 H THR 54 -0.748 3.581 8.338 405 HA THR 54 HA THR 54 1.881 4.668 8.930 406 HB THR 54 HB THR 54 1.022 1.980 7.762 407 HG1 THR 54 1HG THR 54 0.306 2.064 9.771 408 1HG2 THR 54 1HG2 THR 54 3.713 3.013 8.721 409 2HG2 THR 54 2HG2 THR 54 3.303 1.302 8.518 410 3HG2 THR 54 3HG2 THR 54 3.285 2.369 7.112 411 H LEU 55 H LEU 55 0.356 3.366 5.933 412 HA LEU 55 HA LEU 55 2.625 3.995 4.373 413 1HB LEU 55 2HB LEU 55 1.350 3.387 2.460 414 2HB LEU 55 3HB LEU 55 1.304 2.246 3.770 415 HG LEU 55 HG LEU 55 -0.979 3.106 4.362 416 1HD1 LEU 55 1HD1 LEU 55 -1.205 5.161 3.339 417 2HD1 LEU 55 2HD1 LEU 55 -0.304 4.626 1.921 418 3HD1 LEU 55 3HD1 LEU 55 -2.016 4.136 2.147 419 1HD2 LEU 55 1HD2 LEU 55 -0.468 1.826 1.663 420 2HD2 LEU 55 2HD2 LEU 55 -0.534 1.000 3.236 421 3HD2 LEU 55 3HD2 LEU 55 -2.003 1.744 2.570 422 H LYS 56 H LYS 56 -0.140 5.889 5.074 423 HA LYS 56 HA LYS 56 -0.104 8.028 3.488 424 1HB LYS 56 2HB LYS 56 -1.298 7.583 5.816 425 2HB LYS 56 3HB LYS 56 0.056 8.476 6.505 426 1HG LYS 56 2HG LYS 56 -0.605 10.361 4.870 427 2HG LYS 56 3HG LYS 56 -1.995 9.316 4.452 428 1HD LYS 56 2HD LYS 56 -2.698 9.304 6.835 429 2HD LYS 56 3HD LYS 56 -1.335 10.370 7.240 430 1HE LYS 56 2HE LYS 56 -2.258 12.131 5.736 431 2HE LYS 56 3HE LYS 56 -3.595 11.060 5.286 432 1HZ LYS 56 1HZ LYS 56 -4.250 12.632 6.953 433 2HZ LYS 56 2HZ LYS 56 -4.333 11.112 7.568 434 3HZ LYS 56 3HZ LYS 56 -3.092 12.108 7.993 435 H LYS 57 H LYS 57 2.414 7.227 5.837 436 HA LYS 57 HA LYS 57 3.739 9.709 6.068 437 1HB LYS 57 2HB LYS 57 4.663 6.860 6.402 438 2HB LYS 57 3HB LYS 57 5.640 8.271 6.876 439 1HG LYS 57 2HG LYS 57 3.870 8.991 8.406 440 2HG LYS 57 3HG LYS 57 2.810 7.698 7.819 441 1HD LYS 57 2HD LYS 57 4.374 5.975 8.604 442 2HD LYS 57 3HD LYS 57 5.377 7.231 9.364 443 1HE LYS 57 2HE LYS 57 3.543 7.878 10.848 444 2HE LYS 57 3HE LYS 57 2.387 6.881 9.957 445 1HZ LYS 57 1HZ LYS 57 3.050 5.840 11.982 446 2HZ LYS 57 2HZ LYS 57 3.518 4.927 10.706 447 3HZ LYS 57 3HZ LYS 57 4.632 5.820 11.533 448 H THR 58 H THR 58 3.685 7.507 3.328 449 HA THR 58 HA THR 58 6.168 8.294 2.109 450 HB THR 58 HB THR 58 5.011 7.628 -0.016 451 HG1 THR 58 1HG THR 58 2.814 6.897 1.587 452 1HG2 THR 58 1HG2 THR 58 4.664 5.249 0.659 453 2HG2 THR 58 2HG2 THR 58 6.178 5.953 1.280 454 3HG2 THR 58 3HG2 THR 58 4.786 5.770 2.359 455 H GLY 59 H GLY 59 3.096 9.922 2.513 456 1HA GLY 59 2HA GLY 59 2.369 11.986 1.985 457 2HA GLY 59 3HA GLY 59 4.029 12.419 1.515 458 H LYS 60 H LYS 60 1.584 10.062 0.262 459 HA LYS 60 HA LYS 60 1.893 11.135 -2.528 460 1HB LYS 60 2HB LYS 60 2.381 8.315 -1.658 461 2HB LYS 60 3HB LYS 60 2.213 8.917 -3.320 462 1HG LYS 60 2HG LYS 60 4.002 10.727 -2.636 463 2HG LYS 60 3HG LYS 60 4.234 9.686 -1.212 464 1HD LYS 60 2HD LYS 60 4.773 7.832 -2.702 465 2HD LYS 60 3HD LYS 60 4.466 8.890 -4.087 466 1HE LYS 60 2HE LYS 60 6.935 8.748 -3.627 467 2HE LYS 60 3HE LYS 60 6.300 10.391 -3.482 468 1HZ LYS 60 1HZ LYS 60 6.957 8.581 -1.257 469 2HZ LYS 60 2HZ LYS 60 7.748 9.951 -1.681 470 3HZ LYS 60 3HZ LYS 60 6.252 10.042 -1.021 471 H THR 61 H THR 61 0.197 10.388 -3.995 472 HA THR 61 HA THR 61 -2.394 9.955 -2.961 473 HB THR 61 HB THR 61 -1.324 9.363 -5.723 474 HG1 THR 61 1HG THR 61 -1.756 11.935 -4.612 475 1HG2 THR 61 1HG2 THR 61 -3.844 10.769 -4.738 476 2HG2 THR 61 2HG2 THR 61 -3.429 10.445 -6.439 477 3HG2 THR 61 3HG2 THR 61 -3.763 9.091 -5.334 478 H VAL 62 H VAL 62 -1.361 8.158 -1.601 479 HA VAL 62 HA VAL 62 -1.823 5.467 -2.832 480 HB VAL 62 HB VAL 62 0.349 5.601 -1.925 481 1HG1 VAL 62 1HG1 VAL 62 -0.782 6.587 0.712 482 2HG1 VAL 62 2HG1 VAL 62 0.865 5.991 0.439 483 3HG1 VAL 62 3HG1 VAL 62 0.313 7.429 -0.397 484 1HG2 VAL 62 1HG2 VAL 62 -1.469 3.998 -0.095 485 2HG2 VAL 62 2HG2 VAL 62 -0.786 3.484 -1.637 486 3HG2 VAL 62 3HG2 VAL 62 0.286 3.777 -0.271 487 H SER 63 H SER 63 -4.027 5.528 -2.896 488 HA SER 63 HA SER 63 -5.518 6.248 -0.394 489 1HB SER 63 2HB SER 63 -6.333 6.531 -3.310 490 2HB SER 63 3HB SER 63 -7.224 7.113 -1.889 491 HG SER 63 HG SER 63 -5.951 8.772 -2.865 492 H TYR 64 H TYR 64 -7.124 4.862 0.302 493 HA TYR 64 HA TYR 64 -7.156 2.126 -0.688 494 1HB TYR 64 2HB TYR 64 -7.202 2.413 1.644 495 2HB TYR 64 3HB TYR 64 -8.449 3.663 1.567 496 HD1 TYR 64 HD1 TYR 64 -10.795 3.110 1.467 497 HD2 TYR 64 HD2 TYR 64 -7.797 0.012 1.305 498 HE1 TYR 64 HE1 TYR 64 -12.562 1.384 1.690 499 HE2 TYR 64 HE2 TYR 64 -9.572 -1.694 1.614 500 HH TYR 64 HH TYR 64 -11.766 -2.070 1.394 501 H LEU 65 H LEU 65 -8.750 1.136 -1.985 502 HA LEU 65 HA LEU 65 -11.439 2.112 -1.922 503 1HB LEU 65 2HB LEU 65 -11.732 2.330 -4.312 504 2HB LEU 65 3HB LEU 65 -10.751 3.581 -3.570 505 HG LEU 65 HG LEU 65 -9.587 3.361 -5.415 506 1HD1 LEU 65 1HD1 LEU 65 -7.934 2.785 -3.828 507 2HD1 LEU 65 2HD1 LEU 65 -8.323 1.037 -3.979 508 3HD1 LEU 65 3HD1 LEU 65 -7.665 1.903 -5.359 509 1HD2 LEU 65 1HD2 LEU 65 -11.088 1.341 -6.258 510 2HD2 LEU 65 2HD2 LEU 65 -9.493 1.679 -6.976 511 3HD2 LEU 65 3HD2 LEU 65 -9.644 0.402 -5.773 512 H GLY 66 H GLY 66 -11.510 -0.079 -0.861 513 1HA GLY 66 2HA GLY 66 -13.271 -1.573 -1.957 514 2HA GLY 66 3HA GLY 66 -11.960 -2.187 -2.968 515 H LEU 67 H LEU 67 -13.629 -3.668 -1.027 516 HA LEU 67 HA LEU 67 -11.554 -4.812 0.725 517 1HB LEU 67 2HB LEU 67 -12.936 -3.692 2.291 518 2HB LEU 67 3HB LEU 67 -14.360 -3.800 1.253 519 HG LEU 67 HG LEU 67 -14.546 -6.185 1.678 520 1HD1 LEU 67 1HD1 LEU 67 -12.162 -6.682 2.325 521 2HD1 LEU 67 2HD1 LEU 67 -12.369 -5.689 3.779 522 3HD1 LEU 67 3HD1 LEU 67 -13.291 -7.195 3.587 523 1HD2 LEU 67 1HD2 LEU 67 -15.837 -4.560 2.989 524 2HD2 LEU 67 2HD2 LEU 67 -15.403 -5.957 3.990 525 3HD2 LEU 67 3HD2 LEU 67 -14.515 -4.429 4.170 526 H GLU 68 H GLU 68 -11.460 -7.059 0.230 527 HA GLU 68 HA GLU 68 -13.723 -8.360 -1.084 528 1HB GLU 68 2HB GLU 68 -11.998 -7.324 -2.842 529 2HB GLU 68 3HB GLU 68 -10.933 -8.604 -2.245 530 1HG GLU 68 2HG GLU 68 -11.936 -9.565 -4.124 531 2HG GLU 68 3HG GLU 68 -12.924 -10.209 -2.803 Start of MODEL 13 1 1H MET 1 H1 MET 1 -11.987 -11.583 3.870 2 2H MET 1 H2 MET 1 -12.973 -10.453 3.098 3 3H MET 1 H3 MET 1 -11.445 -10.311 2.927 4 HA MET 1 HA MET 1 -12.604 -8.806 4.458 5 1HB MET 1 2HB MET 1 -12.066 -11.117 6.377 6 2HB MET 1 3HB MET 1 -12.546 -9.476 6.829 7 1HG MET 1 2HG MET 1 -14.184 -11.436 5.168 8 2HG MET 1 3HG MET 1 -14.469 -10.978 6.847 9 1HE MET 1 1HE MET 1 -17.517 -9.476 4.856 10 2HE MET 1 2HE MET 1 -16.633 -10.960 4.430 11 3HE MET 1 3HE MET 1 -17.019 -10.608 6.135 12 HA PRO 2 HA PRO 2 -8.175 -8.694 5.986 13 1HB PRO 2 2HB PRO 2 -6.306 -10.575 5.409 14 2HB PRO 2 3HB PRO 2 -7.477 -10.764 6.744 15 1HG PRO 2 2HG PRO 2 -7.665 -11.867 3.930 16 2HG PRO 2 3HG PRO 2 -7.854 -12.765 5.463 17 1HD PRO 2 2HD PRO 2 -9.958 -11.846 4.058 18 2HD PRO 2 3HD PRO 2 -9.980 -11.813 5.852 19 H LYS 3 H LYS 3 -9.242 -9.092 2.747 20 HA LYS 3 HA LYS 3 -6.651 -8.237 1.648 21 1HB LYS 3 2HB LYS 3 -7.685 -10.321 0.845 22 2HB LYS 3 3HB LYS 3 -9.042 -9.406 0.208 23 1HG LYS 3 2HG LYS 3 -6.225 -8.594 -0.597 24 2HG LYS 3 3HG LYS 3 -6.891 -10.093 -1.254 25 1HD LYS 3 2HD LYS 3 -8.821 -8.977 -2.162 26 2HD LYS 3 3HD LYS 3 -8.352 -7.428 -1.432 27 1HE LYS 3 2HE LYS 3 -6.357 -7.313 -2.823 28 2HE LYS 3 3HE LYS 3 -6.719 -8.894 -3.549 29 1HZ LYS 3 1HZ LYS 3 -7.474 -6.893 -4.859 30 2HZ LYS 3 2HZ LYS 3 -8.752 -7.944 -4.461 31 3HZ LYS 3 3HZ LYS 3 -8.565 -6.601 -3.669 32 H HIS 4 H HIS 4 -6.469 -6.182 0.622 33 HA HIS 4 HA HIS 4 -8.907 -4.720 0.050 34 1HB HIS 4 2HB HIS 4 -7.471 -2.814 1.566 35 2HB HIS 4 3HB HIS 4 -9.031 -3.534 1.946 36 HD1 HIS 4 1HD HIS 4 -8.859 -5.824 3.580 37 HD2 HIS 4 2HD HIS 4 -5.579 -3.198 3.310 38 HE1 HIS 4 1HE HIS 4 -7.401 -6.234 5.653 39 H GLU 5 H GLU 5 -8.596 -2.791 -1.174 40 HA GLU 5 HA GLU 5 -6.100 -2.899 -2.823 41 1HB GLU 5 2HB GLU 5 -9.032 -2.395 -3.353 42 2HB GLU 5 3HB GLU 5 -7.818 -1.945 -4.539 43 1HG GLU 5 2HG GLU 5 -7.864 -4.728 -3.340 44 2HG GLU 5 3HG GLU 5 -8.996 -4.282 -4.612 45 H PHE 6 H PHE 6 -5.150 -1.030 -3.572 46 HA PHE 6 HA PHE 6 -6.203 1.594 -2.717 47 1HB PHE 6 2HB PHE 6 -3.346 0.559 -2.344 48 2HB PHE 6 3HB PHE 6 -3.867 2.191 -1.995 49 HD1 PHE 6 1HD PHE 6 -4.328 -1.397 -0.975 50 HD2 PHE 6 2HD PHE 6 -4.570 2.742 0.221 51 HE1 PHE 6 1HE PHE 6 -4.898 -2.097 1.314 52 HE2 PHE 6 2HE PHE 6 -4.976 2.025 2.563 53 HZ PHE 6 HZ PHE 6 -5.193 -0.387 3.111 54 H SER 7 H SER 7 -5.831 3.186 -4.235 55 HA SER 7 HA SER 7 -4.393 2.384 -6.743 56 1HB SER 7 2HB SER 7 -6.838 3.301 -6.817 57 2HB SER 7 3HB SER 7 -6.084 4.878 -6.514 58 HG SER 7 HG SER 7 -4.785 4.428 -8.407 59 H VAL 8 H VAL 8 -2.556 3.557 -7.341 60 HA VAL 8 HA VAL 8 -1.463 5.320 -5.213 61 HB VAL 8 HB VAL 8 -0.120 3.131 -6.883 62 1HG1 VAL 8 1HG1 VAL 8 0.732 4.671 -4.390 63 2HG1 VAL 8 2HG1 VAL 8 1.631 3.328 -5.121 64 3HG1 VAL 8 3HG1 VAL 8 1.427 4.850 -6.004 65 1HG2 VAL 8 1HG2 VAL 8 -1.342 3.052 -4.076 66 2HG2 VAL 8 2HG2 VAL 8 -1.702 1.994 -5.453 67 3HG2 VAL 8 3HG2 VAL 8 -0.134 1.901 -4.653 68 H ASP 9 H ASP 9 -0.120 6.983 -5.859 69 HA ASP 9 HA ASP 9 0.296 7.484 -8.783 70 1HB ASP 9 2HB ASP 9 -0.403 9.449 -7.663 71 2HB ASP 9 3HB ASP 9 0.738 9.184 -6.319 72 H MET 10 H MET 10 1.663 5.727 -9.167 73 HA MET 10 HA MET 10 4.298 5.749 -7.757 74 1HB MET 10 2HB MET 10 3.149 3.705 -9.679 75 2HB MET 10 3HB MET 10 4.797 3.724 -9.026 76 1HG MET 10 2HG MET 10 3.617 3.899 -6.686 77 2HG MET 10 3HG MET 10 2.208 3.274 -7.546 78 1HE MET 10 1HE MET 10 3.020 1.295 -9.432 79 2HE MET 10 2HE MET 10 3.316 -0.225 -8.564 80 3HE MET 10 3HE MET 10 1.911 0.767 -8.129 81 H THR 11 H THR 11 4.823 7.811 -8.476 82 HA THR 11 HA THR 11 4.855 8.494 -11.205 83 HB THR 11 HB THR 11 6.721 9.866 -9.290 84 HG1 THR 11 1HG THR 11 3.923 9.671 -8.859 85 1HG2 THR 11 1HG2 THR 11 5.555 11.870 -10.099 86 2HG2 THR 11 2HG2 THR 11 6.060 10.866 -11.475 87 3HG2 THR 11 3HG2 THR 11 4.361 10.867 -10.947 88 H CYS 12 H CYS 12 7.171 6.771 -9.189 89 HA CYS 12 HA CYS 12 8.904 6.369 -11.541 90 1HB CYS 12 2HB CYS 12 10.054 8.122 -10.187 91 2HB CYS 12 3HB CYS 12 9.882 7.109 -8.733 92 HG CYS 12 HG CYS 12 11.470 6.458 -11.553 93 H GLY 13 H GLY 13 9.851 4.208 -11.370 94 1HA GLY 13 2HA GLY 13 8.283 2.167 -10.268 95 2HA GLY 13 3HA GLY 13 10.004 2.025 -10.679 96 H GLY 14 H GLY 14 11.052 3.931 -8.863 97 1HA GLY 14 2HA GLY 14 11.407 2.431 -6.519 98 2HA GLY 14 3HA GLY 14 11.821 4.146 -6.711 99 H CYS 15 H CYS 15 8.665 4.499 -7.287 100 HA CYS 15 HA CYS 15 7.877 5.175 -4.643 101 1HB CYS 15 2HB CYS 15 6.792 6.094 -6.607 102 2HB CYS 15 3HB CYS 15 6.077 4.494 -6.959 103 HG CYS 15 HG CYS 15 4.329 6.182 -5.768 104 H ALA 16 H ALA 16 7.722 2.163 -6.576 105 HA ALA 16 HA ALA 16 6.098 0.645 -4.797 106 1HB ALA 16 1HB ALA 16 6.989 -1.306 -5.953 107 2HB ALA 16 2HB ALA 16 6.638 -0.037 -7.145 108 3HB ALA 16 3HB ALA 16 8.315 -0.354 -6.640 109 H GLU 17 H GLU 17 9.709 1.139 -4.910 110 HA GLU 17 HA GLU 17 10.228 -0.422 -2.582 111 1HB GLU 17 2HB GLU 17 11.662 1.946 -3.856 112 2HB GLU 17 3HB GLU 17 12.098 1.325 -2.283 113 1HG GLU 17 2HG GLU 17 11.932 -1.021 -3.839 114 2HG GLU 17 3HG GLU 17 12.614 0.189 -4.930 115 H ALA 18 H ALA 18 9.238 3.017 -2.951 116 HA ALA 18 HA ALA 18 9.556 3.718 -0.224 117 1HB ALA 18 1HB ALA 18 7.311 4.757 -2.000 118 2HB ALA 18 2HB ALA 18 8.052 5.541 -0.604 119 3HB ALA 18 3HB ALA 18 9.000 5.323 -2.090 120 H VAL 19 H VAL 19 6.680 2.439 -1.914 121 HA VAL 19 HA VAL 19 5.016 2.095 0.332 122 HB VAL 19 HB VAL 19 5.152 0.512 -2.259 123 1HG1 VAL 19 1HG1 VAL 19 2.933 0.581 -0.167 124 2HG1 VAL 19 2HG1 VAL 19 2.900 -0.271 -1.721 125 3HG1 VAL 19 3HG1 VAL 19 3.993 -0.815 -0.464 126 1HG2 VAL 19 1HG2 VAL 19 3.268 2.733 -1.332 127 2HG2 VAL 19 2HG2 VAL 19 4.591 2.956 -2.486 128 3HG2 VAL 19 3HG2 VAL 19 3.234 1.904 -2.901 129 H SER 20 H SER 20 7.129 -0.343 -1.278 130 HA SER 20 HA SER 20 6.699 -2.489 0.397 131 1HB SER 20 2HB SER 20 8.066 -2.456 -1.734 132 2HB SER 20 3HB SER 20 9.372 -1.658 -0.840 133 HG SER 20 HG SER 20 9.835 -3.793 -0.872 134 H ARG 21 H ARG 21 9.181 0.044 0.851 135 HA ARG 21 HA ARG 21 10.281 -1.026 3.230 136 1HB ARG 21 2HB ARG 21 10.253 1.792 2.101 137 2HB ARG 21 3HB ARG 21 11.214 1.289 3.506 138 1HG ARG 21 2HG ARG 21 12.403 -0.391 2.167 139 2HG ARG 21 3HG ARG 21 11.420 -0.033 0.752 140 1HD ARG 21 2HD ARG 21 12.288 2.335 0.812 141 2HD ARG 21 3HD ARG 21 13.382 1.819 2.121 142 HE ARG 21 HE ARG 21 13.479 0.254 -0.434 143 1HH1 ARG 21 2HH2 ARG 21 14.898 2.985 1.307 144 2HH1 ARG 21 1HH2 ARG 21 16.368 2.967 0.375 145 1HH2 ARG 21 2HH1 ARG 21 15.246 0.303 -1.698 146 2HH2 ARG 21 1HH1 ARG 21 16.585 1.377 -1.424 147 H VAL 22 H VAL 22 7.747 1.686 2.924 148 HA VAL 22 HA VAL 22 7.510 1.854 5.693 149 HB VAL 22 HB VAL 22 6.918 3.569 4.017 150 1HG1 VAL 22 1HG1 VAL 22 5.591 2.259 2.453 151 2HG1 VAL 22 2HG1 VAL 22 4.370 1.946 3.713 152 3HG1 VAL 22 3HG1 VAL 22 4.631 3.586 3.101 153 1HG2 VAL 22 1HG2 VAL 22 4.752 2.808 5.960 154 2HG2 VAL 22 2HG2 VAL 22 6.246 3.714 6.346 155 3HG2 VAL 22 3HG2 VAL 22 5.011 4.423 5.264 156 H LEU 23 H LEU 23 5.592 -0.143 3.330 157 HA LEU 23 HA LEU 23 3.814 -1.231 5.188 158 1HB LEU 23 2HB LEU 23 4.919 -2.115 2.510 159 2HB LEU 23 3HB LEU 23 3.968 -3.233 3.459 160 HG LEU 23 HG LEU 23 2.649 -2.051 1.756 161 1HD1 LEU 23 1HD1 LEU 23 1.539 -3.129 3.651 162 2HD1 LEU 23 2HD1 LEU 23 1.799 -1.684 4.661 163 3HD1 LEU 23 3HD1 LEU 23 0.733 -1.605 3.254 164 1HD2 LEU 23 1HD2 LEU 23 2.859 0.280 3.670 165 2HD2 LEU 23 2HD2 LEU 23 3.632 0.209 2.071 166 3HD2 LEU 23 3HD2 LEU 23 1.871 0.196 2.190 167 H ASN 24 H ASN 24 7.114 -2.490 4.274 168 HA ASN 24 HA ASN 24 7.030 -4.700 6.065 169 1HB ASN 24 2HB ASN 24 9.234 -2.993 4.853 170 2HB ASN 24 3HB ASN 24 9.579 -4.138 6.133 171 1HD2 ASN 24 1HD2 ASN 24 8.431 -3.858 2.813 172 2HD2 ASN 24 2HD2 ASN 24 8.658 -5.544 2.388 173 H LYS 25 H LYS 25 8.148 -1.330 6.523 174 HA LYS 25 HA LYS 25 9.009 -1.552 9.179 175 1HB LYS 25 2HB LYS 25 7.918 0.737 7.508 176 2HB LYS 25 3HB LYS 25 8.240 0.997 9.204 177 1HG LYS 25 2HG LYS 25 10.255 0.113 7.093 178 2HG LYS 25 3HG LYS 25 10.137 1.702 7.845 179 1HD LYS 25 2HD LYS 25 11.095 -0.907 9.076 180 2HD LYS 25 3HD LYS 25 11.978 0.598 8.848 181 1HE LYS 25 2HE LYS 25 10.504 1.726 10.531 182 2HE LYS 25 3HE LYS 25 9.636 0.203 10.795 183 1HZ LYS 25 1HZ LYS 25 12.487 0.617 11.350 184 2HZ LYS 25 2HZ LYS 25 11.272 0.537 12.455 185 3HZ LYS 25 3HZ LYS 25 11.651 -0.788 11.564 186 H LEU 26 H LEU 26 5.716 -0.997 8.005 187 HA LEU 26 HA LEU 26 4.422 -0.502 10.392 188 1HB LEU 26 2HB LEU 26 3.496 -0.800 8.010 189 2HB LEU 26 3HB LEU 26 3.398 -2.514 8.329 190 HG LEU 26 HG LEU 26 1.382 -0.876 8.593 191 1HD1 LEU 26 1HD1 LEU 26 1.219 -3.282 8.807 192 2HD1 LEU 26 2HD1 LEU 26 1.744 -3.184 10.508 193 3HD1 LEU 26 3HD1 LEU 26 0.216 -2.426 9.991 194 1HD2 LEU 26 1HD2 LEU 26 2.417 0.493 10.492 195 2HD2 LEU 26 2HD2 LEU 26 0.838 -0.205 10.843 196 3HD2 LEU 26 3HD2 LEU 26 2.290 -0.954 11.506 197 H GLY 27 H GLY 27 5.591 -3.645 9.184 198 1HA GLY 27 2HA GLY 27 6.091 -4.768 11.657 199 2HA GLY 27 3HA GLY 27 4.376 -5.131 11.379 200 H GLY 28 H GLY 28 3.775 -6.581 9.725 201 1HA GLY 28 2HA GLY 28 5.821 -7.991 8.136 202 2HA GLY 28 3HA GLY 28 5.063 -8.924 9.443 203 H VAL 29 H VAL 29 3.650 -6.369 7.461 204 HA VAL 29 HA VAL 29 1.257 -7.803 6.832 205 HB VAL 29 HB VAL 29 1.469 -5.346 7.056 206 1HG1 VAL 29 1HG1 VAL 29 3.772 -5.240 5.801 207 2HG1 VAL 29 2HG1 VAL 29 2.784 -5.248 4.334 208 3HG1 VAL 29 3HG1 VAL 29 2.587 -3.955 5.532 209 1HG2 VAL 29 1HG2 VAL 29 0.617 -6.148 4.248 210 2HG2 VAL 29 2HG2 VAL 29 -0.405 -6.252 5.689 211 3HG2 VAL 29 3HG2 VAL 29 0.145 -4.676 5.103 212 H LYS 30 H LYS 30 0.636 -8.788 4.863 213 HA LYS 30 HA LYS 30 2.759 -9.218 2.829 214 1HB LYS 30 2HB LYS 30 1.172 -11.133 3.622 215 2HB LYS 30 3HB LYS 30 0.000 -10.342 2.560 216 1HG LYS 30 2HG LYS 30 2.616 -11.665 1.841 217 2HG LYS 30 3HG LYS 30 0.987 -11.990 1.228 218 1HD LYS 30 2HD LYS 30 1.078 -9.627 0.161 219 2HD LYS 30 3HD LYS 30 2.792 -9.605 0.630 220 1HE LYS 30 2HE LYS 30 2.854 -10.136 -1.538 221 2HE LYS 30 3HE LYS 30 3.097 -11.715 -0.770 222 1HZ LYS 30 1HZ LYS 30 1.375 -11.186 -2.713 223 2HZ LYS 30 2HZ LYS 30 0.939 -12.340 -1.555 224 3HZ LYS 30 3HZ LYS 30 0.427 -10.752 -1.555 225 H TYR 31 H TYR 31 2.905 -7.534 1.573 226 HA TYR 31 HA TYR 31 0.550 -5.995 0.590 227 1HB TYR 31 2HB TYR 31 2.108 -4.174 0.193 228 2HB TYR 31 3HB TYR 31 2.094 -4.632 1.892 229 HD1 TYR 31 HD1 TYR 31 4.017 -6.127 2.792 230 HD2 TYR 31 HD2 TYR 31 4.159 -4.160 -1.036 231 HE1 TYR 31 HE1 TYR 31 6.417 -6.630 2.640 232 HE2 TYR 31 HE2 TYR 31 6.598 -4.640 -1.167 233 HH TYR 31 HH TYR 31 8.435 -5.248 0.111 234 H ASP 32 H ASP 32 0.407 -5.714 -1.657 235 HA ASP 32 HA ASP 32 2.274 -7.172 -3.455 236 1HB ASP 32 2HB ASP 32 -0.756 -7.173 -3.243 237 2HB ASP 32 3HB ASP 32 0.052 -7.613 -4.736 238 H ILE 33 H ILE 33 2.511 -6.074 -5.467 239 HA ILE 33 HA ILE 33 1.373 -3.320 -5.621 240 HB ILE 33 HB ILE 33 4.220 -3.958 -6.370 241 1HG1 ILE 33 2HG1 ILE 33 4.496 -2.398 -4.178 242 2HG1 ILE 33 3HG1 ILE 33 3.126 -3.345 -3.632 243 1HG2 ILE 33 1HG2 ILE 33 3.067 -2.014 -7.371 244 2HG2 ILE 33 2HG2 ILE 33 2.766 -1.356 -5.752 245 3HG2 ILE 33 3HG2 ILE 33 4.431 -1.537 -6.349 246 1HD1 ILE 33 1HD1 ILE 33 5.768 -4.462 -4.728 247 2HD1 ILE 33 2HD1 ILE 33 5.334 -4.352 -3.023 248 3HD1 ILE 33 3HD1 ILE 33 4.432 -5.444 -4.086 249 H ASP 34 H ASP 34 0.570 -2.908 -7.654 250 HA ASP 34 HA ASP 34 1.640 -4.493 -9.963 251 1HB ASP 34 2HB ASP 34 -0.770 -4.890 -9.737 252 2HB ASP 34 3HB ASP 34 -1.062 -3.136 -9.798 253 H LEU 35 H LEU 35 2.890 -3.349 -11.242 254 HA LEU 35 HA LEU 35 3.296 -0.500 -10.841 255 1HB LEU 35 2HB LEU 35 4.603 -2.616 -12.536 256 2HB LEU 35 3HB LEU 35 4.883 -0.914 -12.883 257 HG LEU 35 HG LEU 35 6.630 -1.958 -11.517 258 1HD1 LEU 35 1HD1 LEU 35 5.242 0.315 -10.037 259 2HD1 LEU 35 2HD1 LEU 35 6.945 -0.144 -9.940 260 3HD1 LEU 35 3HD1 LEU 35 6.287 0.490 -11.456 261 1HD2 LEU 35 1HD2 LEU 35 5.231 -3.470 -10.147 262 2HD2 LEU 35 2HD2 LEU 35 6.323 -2.471 -9.172 263 3HD2 LEU 35 3HD2 LEU 35 4.603 -2.068 -9.255 264 HA PRO 36 HA PRO 36 1.948 -0.067 -15.380 265 1HB PRO 36 2HB PRO 36 0.032 -1.856 -16.389 266 2HB PRO 36 3HB PRO 36 1.789 -1.878 -16.707 267 1HG PRO 36 2HG PRO 36 0.248 -3.461 -14.654 268 2HG PRO 36 3HG PRO 36 1.547 -4.032 -15.735 269 1HD PRO 36 2HD PRO 36 2.046 -3.455 -13.187 270 2HD PRO 36 3HD PRO 36 3.215 -2.936 -14.432 271 H ASN 37 H ASN 37 -0.523 -1.483 -13.167 272 HA ASN 37 HA ASN 37 -2.492 0.574 -13.941 273 1HB ASN 37 2HB ASN 37 -2.667 -1.618 -11.843 274 2HB ASN 37 3HB ASN 37 -3.972 -0.580 -12.406 275 1HD2 ASN 37 1HD2 ASN 37 -1.756 -3.173 -13.377 276 2HD2 ASN 37 2HD2 ASN 37 -2.754 -3.766 -14.712 277 H LYS 38 H LYS 38 0.181 0.516 -11.809 278 HA LYS 38 HA LYS 38 0.752 1.512 -9.948 279 1HB LYS 38 2HB LYS 38 -1.105 3.772 -10.790 280 2HB LYS 38 3HB LYS 38 0.208 3.784 -9.603 281 1HG LYS 38 2HG LYS 38 1.332 4.670 -11.407 282 2HG LYS 38 3HG LYS 38 1.709 2.952 -11.583 283 1HD LYS 38 2HD LYS 38 -0.346 2.855 -13.162 284 2HD LYS 38 3HD LYS 38 -0.358 4.616 -13.097 285 1HE LYS 38 2HE LYS 38 1.885 4.695 -14.096 286 2HE LYS 38 3HE LYS 38 2.075 2.941 -13.904 287 1HZ LYS 38 1HZ LYS 38 0.094 4.199 -15.673 288 2HZ LYS 38 2HZ LYS 38 1.497 3.469 -16.145 289 3HZ LYS 38 3HZ LYS 38 0.310 2.583 -15.427 290 H LYS 39 H LYS 39 -0.486 -0.402 -9.139 291 HA LYS 39 HA LYS 39 -2.656 0.488 -7.295 292 1HB LYS 39 2HB LYS 39 -3.040 -1.270 -9.377 293 2HB LYS 39 3HB LYS 39 -2.438 -2.383 -8.146 294 1HG LYS 39 2HG LYS 39 -4.724 -2.466 -7.828 295 2HG LYS 39 3HG LYS 39 -4.221 -1.318 -6.582 296 1HD LYS 39 2HD LYS 39 -4.718 0.559 -8.285 297 2HD LYS 39 3HD LYS 39 -5.406 -0.667 -9.344 298 1HE LYS 39 2HE LYS 39 -6.324 0.027 -6.515 299 2HE LYS 39 3HE LYS 39 -7.143 0.516 -8.013 300 1HZ LYS 39 1HZ LYS 39 -6.796 -2.234 -6.994 301 2HZ LYS 39 2HZ LYS 39 -8.187 -1.404 -7.014 302 3HZ LYS 39 3HZ LYS 39 -7.497 -1.879 -8.436 303 H VAL 40 H VAL 40 -2.482 -0.275 -5.115 304 HA VAL 40 HA VAL 40 -0.409 -2.292 -4.555 305 HB VAL 40 HB VAL 40 -1.193 0.298 -3.199 306 1HG1 VAL 40 1HG1 VAL 40 -0.298 -0.540 -1.052 307 2HG1 VAL 40 2HG1 VAL 40 -1.843 -1.256 -1.547 308 3HG1 VAL 40 3HG1 VAL 40 -0.335 -2.196 -1.715 309 1HG2 VAL 40 1HG2 VAL 40 1.444 -1.206 -3.331 310 2HG2 VAL 40 2HG2 VAL 40 0.897 -0.063 -4.571 311 3HG2 VAL 40 3HG2 VAL 40 1.164 0.512 -2.912 312 H CYS 41 H CYS 41 -1.264 -4.001 -3.415 313 HA CYS 41 HA CYS 41 -3.886 -3.592 -2.186 314 1HB CYS 41 2HB CYS 41 -5.059 -5.296 -3.134 315 2HB CYS 41 3HB CYS 41 -4.151 -4.748 -4.549 316 HG CYS 41 HG CYS 41 -4.308 -7.269 -4.638 317 H ILE 42 H ILE 42 -4.290 -5.218 -0.497 318 HA ILE 42 HA ILE 42 -1.733 -6.250 0.651 319 HB ILE 42 HB ILE 42 -3.810 -4.532 2.089 320 1HG1 ILE 42 2HG1 ILE 42 -1.010 -3.810 1.092 321 2HG1 ILE 42 3HG1 ILE 42 -2.541 -3.124 0.527 322 1HG2 ILE 42 1HG2 ILE 42 -2.175 -4.611 3.960 323 2HG2 ILE 42 2HG2 ILE 42 -2.650 -6.236 3.514 324 3HG2 ILE 42 3HG2 ILE 42 -1.095 -5.583 2.949 325 1HD1 ILE 42 1HD1 ILE 42 -1.561 -1.526 1.967 326 2HD1 ILE 42 2HD1 ILE 42 -2.948 -2.218 2.829 327 3HD1 ILE 42 3HD1 ILE 42 -1.296 -2.710 3.255 328 H GLU 43 H GLU 43 -2.022 -8.093 1.901 329 HA GLU 43 HA GLU 43 -4.787 -9.164 2.246 330 1HB GLU 43 2HB GLU 43 -3.525 -10.009 0.137 331 2HB GLU 43 3HB GLU 43 -2.489 -10.890 1.262 332 1HG GLU 43 2HG GLU 43 -5.530 -11.127 1.064 333 2HG GLU 43 3HG GLU 43 -4.368 -12.239 0.329 334 H SER 44 H SER 44 -4.659 -8.610 4.482 335 HA SER 44 HA SER 44 -3.052 -10.386 6.111 336 1HB SER 44 2HB SER 44 -2.437 -7.400 6.117 337 2HB SER 44 3HB SER 44 -1.937 -8.516 7.403 338 HG SER 44 HG SER 44 -1.273 -9.459 4.948 339 H GLU 45 H GLU 45 -3.877 -10.598 8.177 340 HA GLU 45 HA GLU 45 -6.337 -9.236 8.920 341 1HB GLU 45 2HB GLU 45 -4.460 -11.046 10.505 342 2HB GLU 45 3HB GLU 45 -6.069 -10.514 11.006 343 1HG GLU 45 2HG GLU 45 -7.058 -11.633 9.012 344 2HG GLU 45 3HG GLU 45 -5.454 -12.238 8.555 345 H HIS 46 H HIS 46 -5.149 -7.112 8.436 346 HA HIS 46 HA HIS 46 -4.261 -5.945 11.042 347 1HB HIS 46 2HB HIS 46 -3.228 -5.380 8.238 348 2HB HIS 46 3HB HIS 46 -3.107 -4.195 9.539 349 HD1 HIS 46 1HD HIS 46 -1.929 -5.695 11.915 350 HD2 HIS 46 2HD HIS 46 -0.776 -6.118 7.902 351 HE1 HIS 46 1HE HIS 46 0.549 -6.306 11.922 352 H SER 47 H SER 47 -5.096 -3.783 11.337 353 HA SER 47 HA SER 47 -7.730 -3.391 10.198 354 1HB SER 47 2HB SER 47 -7.232 -2.591 12.457 355 2HB SER 47 3HB SER 47 -5.981 -1.508 11.805 356 HG SER 47 HG SER 47 -7.951 -0.398 12.085 357 H MET 48 H MET 48 -8.233 -2.386 8.372 358 HA MET 48 HA MET 48 -6.470 -1.521 6.373 359 1HB MET 48 2HB MET 48 -9.290 -0.476 6.904 360 2HB MET 48 3HB MET 48 -8.382 -0.398 5.381 361 1HG MET 48 2HG MET 48 -8.223 -2.965 5.563 362 2HG MET 48 3HG MET 48 -9.505 -2.839 6.773 363 1HE MET 48 1HE MET 48 -11.231 -0.377 5.508 364 2HE MET 48 2HE MET 48 -12.438 -1.334 4.625 365 3HE MET 48 3HE MET 48 -11.913 -1.853 6.244 366 H ASP 49 H ASP 49 -8.095 0.337 8.946 367 HA ASP 49 HA ASP 49 -7.238 2.908 8.164 368 1HB ASP 49 2HB ASP 49 -8.969 2.610 9.863 369 2HB ASP 49 3HB ASP 49 -7.803 1.842 10.962 370 H THR 50 H THR 50 -5.767 0.772 10.532 371 HA THR 50 HA THR 50 -3.481 2.266 11.096 372 HB THR 50 HB THR 50 -3.607 -0.778 10.960 373 HG1 THR 50 1HG THR 50 -4.144 -0.267 13.295 374 1HG2 THR 50 1HG2 THR 50 -1.973 -0.657 12.812 375 2HG2 THR 50 2HG2 THR 50 -1.338 0.133 11.363 376 3HG2 THR 50 3HG2 THR 50 -1.962 1.119 12.701 377 H LEU 51 H LEU 51 -3.873 -0.247 8.517 378 HA LEU 51 HA LEU 51 -1.232 -0.001 7.461 379 1HB LEU 51 2HB LEU 51 -3.834 -0.632 6.003 380 2HB LEU 51 3HB LEU 51 -2.210 -0.787 5.305 381 HG LEU 51 HG LEU 51 -3.058 -2.217 7.864 382 1HD1 LEU 51 1HD1 LEU 51 -3.428 -4.225 6.303 383 2HD1 LEU 51 2HD1 LEU 51 -4.653 -2.949 6.276 384 3HD1 LEU 51 3HD1 LEU 51 -3.454 -3.048 4.977 385 1HD2 LEU 51 1HD2 LEU 51 -0.631 -2.155 7.467 386 2HD2 LEU 51 2HD2 LEU 51 -1.227 -3.791 7.171 387 3HD2 LEU 51 3HD2 LEU 51 -0.864 -2.718 5.800 388 H LEU 52 H LEU 52 -4.279 1.576 6.368 389 HA LEU 52 HA LEU 52 -3.348 3.134 4.314 390 1HB LEU 52 2HB LEU 52 -5.614 2.554 5.062 391 2HB LEU 52 3HB LEU 52 -5.500 3.687 6.398 392 HG LEU 52 HG LEU 52 -5.340 4.452 3.442 393 1HD1 LEU 52 1HD1 LEU 52 -7.747 5.041 3.812 394 2HD1 LEU 52 2HD1 LEU 52 -7.430 3.307 4.078 395 3HD1 LEU 52 3HD1 LEU 52 -7.617 4.382 5.468 396 1HD2 LEU 52 1HD2 LEU 52 -5.665 6.020 6.043 397 2HD2 LEU 52 2HD2 LEU 52 -4.368 6.195 4.840 398 3HD2 LEU 52 3HD2 LEU 52 -6.014 6.707 4.436 399 H ALA 53 H ALA 53 -3.816 4.162 7.732 400 HA ALA 53 HA ALA 53 -2.663 6.704 7.480 401 1HB ALA 53 1HB ALA 53 -2.880 4.919 9.948 402 2HB ALA 53 2HB ALA 53 -2.636 6.678 9.960 403 3HB ALA 53 3HB ALA 53 -4.153 5.996 9.337 404 H THR 54 H THR 54 -1.103 3.582 8.205 405 HA THR 54 HA THR 54 1.488 4.721 8.750 406 HB THR 54 HB THR 54 0.681 1.966 7.732 407 HG1 THR 54 1HG THR 54 -0.097 2.379 9.738 408 1HG2 THR 54 1HG2 THR 54 2.949 2.344 7.102 409 2HG2 THR 54 2HG2 THR 54 3.350 3.065 8.686 410 3HG2 THR 54 3HG2 THR 54 2.960 1.342 8.541 411 H LEU 55 H LEU 55 0.205 3.132 5.788 412 HA LEU 55 HA LEU 55 2.524 3.617 4.301 413 1HB LEU 55 2HB LEU 55 1.475 2.688 2.496 414 2HB LEU 55 3HB LEU 55 1.073 1.826 3.947 415 HG LEU 55 HG LEU 55 -1.152 3.006 3.924 416 1HD1 LEU 55 1HD1 LEU 55 -1.708 3.525 1.398 417 2HD1 LEU 55 2HD1 LEU 55 -0.907 4.751 2.393 418 3HD1 LEU 55 3HD1 LEU 55 0.069 3.754 1.298 419 1HD2 LEU 55 1HD2 LEU 55 -0.371 1.130 1.649 420 2HD2 LEU 55 2HD2 LEU 55 -0.744 0.625 3.316 421 3HD2 LEU 55 3HD2 LEU 55 -2.013 1.332 2.294 422 H LYS 56 H LYS 56 -0.378 5.482 4.543 423 HA LYS 56 HA LYS 56 -0.291 7.485 2.807 424 1HB LYS 56 2HB LYS 56 -1.607 7.214 5.094 425 2HB LYS 56 3HB LYS 56 -0.356 8.270 5.745 426 1HG LYS 56 2HG LYS 56 -1.013 9.908 3.893 427 2HG LYS 56 3HG LYS 56 -2.283 8.735 3.447 428 1HD LYS 56 2HD LYS 56 -3.179 8.856 5.778 429 2HD LYS 56 3HD LYS 56 -1.981 10.113 6.152 430 1HE LYS 56 2HE LYS 56 -2.975 11.591 4.417 431 2HE LYS 56 3HE LYS 56 -4.105 10.312 3.943 432 1HZ LYS 56 1HZ LYS 56 -5.146 11.910 5.363 433 2HZ LYS 56 2HZ LYS 56 -5.103 10.452 6.117 434 3HZ LYS 56 3HZ LYS 56 -4.063 11.646 6.570 435 H LYS 57 H LYS 57 2.091 7.073 5.395 436 HA LYS 57 HA LYS 57 3.240 9.669 5.344 437 1HB LYS 57 2HB LYS 57 4.322 6.986 6.238 438 2HB LYS 57 3HB LYS 57 5.096 8.550 6.573 439 1HG LYS 57 2HG LYS 57 2.968 9.279 7.705 440 2HG LYS 57 3HG LYS 57 2.314 7.648 7.434 441 1HD LYS 57 2HD LYS 57 4.432 6.784 8.657 442 2HD LYS 57 3HD LYS 57 4.646 8.445 9.215 443 1HE LYS 57 2HE LYS 57 2.371 6.490 9.773 444 2HE LYS 57 3HE LYS 57 3.456 7.246 10.941 445 1HZ LYS 57 1HZ LYS 57 1.318 8.542 9.381 446 2HZ LYS 57 2HZ LYS 57 1.314 8.251 10.994 447 3HZ LYS 57 3HZ LYS 57 2.361 9.362 10.375 448 H THR 58 H THR 58 3.504 7.212 2.891 449 HA THR 58 HA THR 58 6.032 7.925 1.775 450 HB THR 58 HB THR 58 4.831 7.419 -0.427 451 HG1 THR 58 1HG THR 58 2.701 7.990 0.434 452 1HG2 THR 58 1HG2 THR 58 4.595 5.424 1.838 453 2HG2 THR 58 2HG2 THR 58 4.578 5.027 0.104 454 3HG2 THR 58 3HG2 THR 58 6.043 5.713 0.853 455 H GLY 59 H GLY 59 3.021 9.754 2.065 456 1HA GLY 59 2HA GLY 59 2.560 11.912 1.518 457 2HA GLY 59 3HA GLY 59 4.289 12.158 1.170 458 H LYS 60 H LYS 60 1.978 9.869 -0.288 459 HA LYS 60 HA LYS 60 2.061 11.218 -2.922 460 1HB LYS 60 2HB LYS 60 2.553 8.289 -2.194 461 2HB LYS 60 3HB LYS 60 2.222 8.807 -3.832 462 1HG LYS 60 2HG LYS 60 4.606 9.677 -2.101 463 2HG LYS 60 3HG LYS 60 4.610 8.468 -3.364 464 1HD LYS 60 2HD LYS 60 4.320 11.485 -3.622 465 2HD LYS 60 3HD LYS 60 5.560 10.433 -4.318 466 1HE LYS 60 2HE LYS 60 3.706 9.362 -5.731 467 2HE LYS 60 3HE LYS 60 2.617 10.625 -5.140 468 1HZ LYS 60 1HZ LYS 60 3.249 11.443 -7.029 469 2HZ LYS 60 2HZ LYS 60 4.425 12.169 -6.129 470 3HZ LYS 60 3HZ LYS 60 4.732 10.813 -7.077 471 H THR 61 H THR 61 0.272 10.363 -4.317 472 HA THR 61 HA THR 61 -2.199 10.364 -3.031 473 HB THR 61 HB THR 61 -1.715 9.411 -5.832 474 HG1 THR 61 1HG THR 61 -0.948 11.377 -6.458 475 1HG2 THR 61 1HG2 THR 61 -4.034 9.934 -5.069 476 2HG2 THR 61 2HG2 THR 61 -3.516 11.594 -4.688 477 3HG2 THR 61 3HG2 THR 61 -3.509 11.023 -6.371 478 H VAL 62 H VAL 62 -1.163 8.290 -1.734 479 HA VAL 62 HA VAL 62 -2.081 5.726 -2.882 480 HB VAL 62 HB VAL 62 -1.656 5.037 -0.407 481 1HG1 VAL 62 1HG1 VAL 62 0.682 4.532 -1.028 482 2HG1 VAL 62 2HG1 VAL 62 -0.469 4.236 -2.350 483 3HG1 VAL 62 3HG1 VAL 62 0.552 5.700 -2.368 484 1HG2 VAL 62 1HG2 VAL 62 0.261 7.390 -0.544 485 2HG2 VAL 62 2HG2 VAL 62 -1.237 7.389 0.428 486 3HG2 VAL 62 3HG2 VAL 62 0.067 6.227 0.762 487 H SER 63 H SER 63 -4.135 6.105 -3.343 488 HA SER 63 HA SER 63 -6.072 6.936 -1.241 489 1HB SER 63 2HB SER 63 -6.441 6.131 -4.153 490 2HB SER 63 3HB SER 63 -7.717 6.749 -3.078 491 HG SER 63 HG SER 63 -6.708 8.389 -4.408 492 H TYR 64 H TYR 64 -7.637 5.463 -0.425 493 HA TYR 64 HA TYR 64 -7.043 2.550 -0.695 494 1HB TYR 64 2HB TYR 64 -6.896 3.262 1.573 495 2HB TYR 64 3HB TYR 64 -8.311 4.296 1.421 496 HD1 TYR 64 HD1 TYR 64 -7.491 0.642 0.892 497 HD2 TYR 64 HD2 TYR 64 -10.314 3.563 2.342 498 HE1 TYR 64 HE1 TYR 64 -9.174 -1.127 1.201 499 HE2 TYR 64 HE2 TYR 64 -12.001 1.794 2.621 500 HH TYR 64 HH TYR 64 -12.537 -0.397 2.187 501 H LEU 65 H LEU 65 -8.520 1.302 -1.829 502 HA LEU 65 HA LEU 65 -11.332 2.039 -1.902 503 1HB LEU 65 2HB LEU 65 -11.316 1.950 -4.452 504 2HB LEU 65 3HB LEU 65 -10.981 3.437 -3.596 505 HG LEU 65 HG LEU 65 -9.591 3.073 -5.553 506 1HD1 LEU 65 1HD1 LEU 65 -8.933 4.489 -3.557 507 2HD1 LEU 65 2HD1 LEU 65 -7.702 3.220 -3.330 508 3HD1 LEU 65 3HD1 LEU 65 -7.756 4.141 -4.831 509 1HD2 LEU 65 1HD2 LEU 65 -8.198 0.840 -4.098 510 2HD2 LEU 65 2HD2 LEU 65 -9.183 0.711 -5.580 511 3HD2 LEU 65 3HD2 LEU 65 -7.674 1.615 -5.596 512 H GLY 66 H GLY 66 -11.200 -0.119 -0.745 513 1HA GLY 66 2HA GLY 66 -12.899 -1.740 -1.844 514 2HA GLY 66 3HA GLY 66 -11.490 -2.338 -2.730 515 H LEU 67 H LEU 67 -13.327 -3.419 -0.398 516 HA LEU 67 HA LEU 67 -11.184 -4.536 1.300 517 1HB LEU 67 2HB LEU 67 -12.367 -3.110 2.774 518 2HB LEU 67 3HB LEU 67 -13.877 -3.282 1.882 519 HG LEU 67 HG LEU 67 -14.158 -5.551 2.654 520 1HD1 LEU 67 1HD1 LEU 67 -12.801 -6.399 4.577 521 2HD1 LEU 67 2HD1 LEU 67 -11.767 -6.179 3.159 522 3HD1 LEU 67 3HD1 LEU 67 -11.742 -4.983 4.464 523 1HD2 LEU 67 1HD2 LEU 67 -13.774 -3.527 4.893 524 2HD2 LEU 67 2HD2 LEU 67 -15.203 -3.680 3.848 525 3HD2 LEU 67 3HD2 LEU 67 -14.783 -4.986 4.969 526 H GLU 68 H GLU 68 -11.190 -6.795 0.984 527 HA GLU 68 HA GLU 68 -13.510 -8.112 -0.293 528 1HB GLU 68 2HB GLU 68 -10.539 -7.874 -0.802 529 2HB GLU 68 3HB GLU 68 -11.357 -9.358 -1.202 530 1HG GLU 68 2HG GLU 68 -12.690 -8.281 -2.897 531 2HG GLU 68 3HG GLU 68 -12.456 -6.683 -2.170 Start of MODEL 14 1 1H MET 1 H1 MET 1 -11.937 -9.222 6.918 2 2H MET 1 H2 MET 1 -13.000 -10.166 6.062 3 3H MET 1 H3 MET 1 -11.421 -10.650 6.261 4 HA MET 1 HA MET 1 -11.740 -9.846 4.094 5 1HB MET 1 2HB MET 1 -12.797 -7.378 5.539 6 2HB MET 1 3HB MET 1 -12.334 -7.390 3.832 7 1HG MET 1 2HG MET 1 -14.692 -7.724 3.893 8 2HG MET 1 3HG MET 1 -13.955 -9.259 3.447 9 1HE MET 1 1HE MET 1 -16.808 -9.562 4.046 10 2HE MET 1 2HE MET 1 -15.711 -10.963 3.956 11 3HE MET 1 3HE MET 1 -16.866 -10.820 5.303 12 HA PRO 2 HA PRO 2 -7.691 -8.448 5.789 13 1HB PRO 2 2HB PRO 2 -6.049 -10.286 4.727 14 2HB PRO 2 3HB PRO 2 -7.209 -10.743 6.004 15 1HG PRO 2 2HG PRO 2 -7.535 -11.048 3.001 16 2HG PRO 2 3HG PRO 2 -7.764 -12.304 4.247 17 1HD PRO 2 2HD PRO 2 -9.830 -10.802 3.214 18 2HD PRO 2 3HD PRO 2 -9.830 -11.392 4.902 19 H LYS 3 H LYS 3 -8.946 -8.528 2.508 20 HA LYS 3 HA LYS 3 -6.412 -7.569 1.397 21 1HB LYS 3 2HB LYS 3 -7.754 -9.420 0.318 22 2HB LYS 3 3HB LYS 3 -8.900 -8.162 -0.145 23 1HG LYS 3 2HG LYS 3 -6.852 -6.922 -1.196 24 2HG LYS 3 3HG LYS 3 -5.934 -8.385 -0.832 25 1HD LYS 3 2HD LYS 3 -6.550 -8.726 -3.066 26 2HD LYS 3 3HD LYS 3 -7.774 -9.646 -2.167 27 1HE LYS 3 2HE LYS 3 -9.218 -7.485 -2.296 28 2HE LYS 3 3HE LYS 3 -8.054 -6.883 -3.475 29 1HZ LYS 3 1HZ LYS 3 -8.717 -8.629 -4.956 30 2HZ LYS 3 2HZ LYS 3 -9.541 -9.423 -3.735 31 3HZ LYS 3 3HZ LYS 3 -10.132 -8.069 -4.251 32 H HIS 4 H HIS 4 -6.068 -5.484 1.127 33 HA HIS 4 HA HIS 4 -8.301 -3.519 1.063 34 1HB HIS 4 2HB HIS 4 -5.565 -3.166 2.332 35 2HB HIS 4 3HB HIS 4 -6.914 -2.033 2.322 36 HD1 HIS 4 1HD HIS 4 -5.733 -5.226 4.111 37 HD2 HIS 4 2HD HIS 4 -9.169 -2.883 3.648 38 HE1 HIS 4 1HE HIS 4 -7.299 -5.886 5.994 39 H GLU 5 H GLU 5 -8.403 -2.771 -1.015 40 HA GLU 5 HA GLU 5 -5.991 -2.701 -2.743 41 1HB GLU 5 2HB GLU 5 -8.989 -2.550 -3.105 42 2HB GLU 5 3HB GLU 5 -7.926 -1.927 -4.363 43 1HG GLU 5 2HG GLU 5 -7.294 -4.653 -3.317 44 2HG GLU 5 3HG GLU 5 -8.733 -4.442 -4.333 45 H PHE 6 H PHE 6 -5.142 -0.835 -3.552 46 HA PHE 6 HA PHE 6 -6.400 1.744 -2.858 47 1HB PHE 6 2HB PHE 6 -3.453 1.005 -2.472 48 2HB PHE 6 3HB PHE 6 -4.143 2.566 -2.102 49 HD1 PHE 6 1HD PHE 6 -3.936 -1.008 -1.066 50 HD2 PHE 6 2HD PHE 6 -5.171 2.961 0.086 51 HE1 PHE 6 1HE PHE 6 -4.134 -1.746 1.268 52 HE2 PHE 6 2HE PHE 6 -5.610 2.123 2.383 53 HZ PHE 6 HZ PHE 6 -5.021 -0.198 3.005 54 H SER 7 H SER 7 -6.184 3.241 -4.470 55 HA SER 7 HA SER 7 -4.683 2.446 -6.937 56 1HB SER 7 2HB SER 7 -7.143 3.083 -7.176 57 2HB SER 7 3HB SER 7 -6.659 4.734 -6.699 58 HG SER 7 HG SER 7 -6.630 4.432 -8.971 59 H VAL 8 H VAL 8 -2.910 3.686 -7.537 60 HA VAL 8 HA VAL 8 -2.055 5.866 -5.733 61 HB VAL 8 HB VAL 8 -0.370 3.539 -6.816 62 1HG1 VAL 8 1HG1 VAL 8 1.007 4.183 -4.757 63 2HG1 VAL 8 2HG1 VAL 8 0.938 5.429 -6.000 64 3HG1 VAL 8 3HG1 VAL 8 -0.081 5.571 -4.554 65 1HG2 VAL 8 1HG2 VAL 8 -0.574 2.636 -4.405 66 2HG2 VAL 8 2HG2 VAL 8 -2.003 3.659 -4.253 67 3HG2 VAL 8 3HG2 VAL 8 -1.952 2.368 -5.471 68 H ASP 9 H ASP 9 -0.166 7.071 -6.789 69 HA ASP 9 HA ASP 9 0.206 6.363 -9.642 70 1HB ASP 9 2HB ASP 9 -0.539 8.676 -9.586 71 2HB ASP 9 3HB ASP 9 0.726 9.088 -8.412 72 H MET 10 H MET 10 1.573 4.684 -8.997 73 HA MET 10 HA MET 10 4.076 5.349 -7.572 74 1HB MET 10 2HB MET 10 3.050 2.791 -8.866 75 2HB MET 10 3HB MET 10 4.667 2.972 -8.180 76 1HG MET 10 2HG MET 10 3.659 3.625 -5.997 77 2HG MET 10 3HG MET 10 2.056 3.339 -6.678 78 1HE MET 10 1HE MET 10 2.305 0.668 -8.283 79 2HE MET 10 2HE MET 10 1.831 -0.475 -7.018 80 3HE MET 10 3HE MET 10 1.006 1.089 -7.141 81 H THR 11 H THR 11 4.693 7.089 -8.943 82 HA THR 11 HA THR 11 4.550 6.959 -11.711 83 HB THR 11 HB THR 11 6.512 8.804 -10.378 84 HG1 THR 11 1HG THR 11 3.782 9.189 -9.833 85 1HG2 THR 11 1HG2 THR 11 5.247 10.517 -11.623 86 2HG2 THR 11 2HG2 THR 11 5.771 9.205 -12.702 87 3HG2 THR 11 3HG2 THR 11 4.082 9.290 -12.157 88 H CYS 12 H CYS 12 7.056 5.768 -9.565 89 HA CYS 12 HA CYS 12 8.775 5.035 -11.861 90 1HB CYS 12 2HB CYS 12 9.775 7.151 -11.079 91 2HB CYS 12 3HB CYS 12 9.696 6.593 -9.391 92 HG CYS 12 HG CYS 12 12.158 6.514 -10.174 93 H GLY 13 H GLY 13 10.033 3.121 -11.278 94 1HA GLY 13 2HA GLY 13 8.941 1.168 -9.662 95 2HA GLY 13 3HA GLY 13 10.668 1.292 -10.044 96 H GLY 14 H GLY 14 11.274 3.723 -8.637 97 1HA GLY 14 2HA GLY 14 11.741 2.701 -6.069 98 2HA GLY 14 3HA GLY 14 11.900 4.416 -6.520 99 H CYS 15 H CYS 15 8.842 4.234 -7.272 100 HA CYS 15 HA CYS 15 7.748 5.140 -4.768 101 1HB CYS 15 2HB CYS 15 6.344 4.234 -7.273 102 2HB CYS 15 3HB CYS 15 5.585 4.950 -5.836 103 HG CYS 15 HG CYS 15 8.075 6.292 -7.490 104 H ALA 16 H ALA 16 7.908 2.008 -6.521 105 HA ALA 16 HA ALA 16 6.168 0.581 -4.719 106 1HB ALA 16 1HB ALA 16 8.359 -0.498 -6.558 107 2HB ALA 16 2HB ALA 16 7.116 -1.438 -5.747 108 3HB ALA 16 3HB ALA 16 6.650 -0.266 -6.999 109 H GLU 17 H GLU 17 9.723 1.141 -4.890 110 HA GLU 17 HA GLU 17 10.350 -0.352 -2.539 111 1HB GLU 17 2HB GLU 17 11.689 2.123 -3.721 112 2HB GLU 17 3HB GLU 17 12.147 1.394 -2.200 113 1HG GLU 17 2HG GLU 17 12.292 -0.858 -3.565 114 2HG GLU 17 3HG GLU 17 12.399 0.224 -4.963 115 H ALA 18 H ALA 18 9.229 3.060 -2.886 116 HA ALA 18 HA ALA 18 9.464 3.705 -0.136 117 1HB ALA 18 1HB ALA 18 9.022 5.369 -1.927 118 2HB ALA 18 2HB ALA 18 7.354 4.768 -2.061 119 3HB ALA 18 3HB ALA 18 7.903 5.515 -0.554 120 H VAL 19 H VAL 19 6.624 2.465 -1.930 121 HA VAL 19 HA VAL 19 4.889 2.207 0.292 122 HB VAL 19 HB VAL 19 5.009 0.691 -2.343 123 1HG1 VAL 19 1HG1 VAL 19 2.649 0.099 -1.878 124 2HG1 VAL 19 2HG1 VAL 19 3.720 -0.642 -0.706 125 3HG1 VAL 19 3HG1 VAL 19 2.785 0.814 -0.262 126 1HG2 VAL 19 1HG2 VAL 19 3.213 2.980 -1.402 127 2HG2 VAL 19 2HG2 VAL 19 4.602 3.187 -2.478 128 3HG2 VAL 19 3HG2 VAL 19 3.220 2.228 -3.010 129 H SER 20 H SER 20 7.088 -0.198 -1.213 130 HA SER 20 HA SER 20 6.467 -2.338 0.535 131 1HB SER 20 2HB SER 20 7.756 -2.629 -1.586 132 2HB SER 20 3HB SER 20 9.029 -1.555 -0.990 133 HG SER 20 HG SER 20 9.678 -3.682 -0.813 134 H ARG 21 H ARG 21 9.059 0.123 0.853 135 HA ARG 21 HA ARG 21 10.051 -0.906 3.289 136 1HB ARG 21 2HB ARG 21 10.200 1.842 2.006 137 2HB ARG 21 3HB ARG 21 11.101 1.386 3.464 138 1HG ARG 21 2HG ARG 21 12.238 -0.413 2.308 139 2HG ARG 21 3HG ARG 21 11.273 -0.216 0.861 140 1HD ARG 21 2HD ARG 21 12.173 2.022 0.468 141 2HD ARG 21 3HD ARG 21 13.206 1.908 1.887 142 HE ARG 21 HE ARG 21 13.632 0.709 -0.776 143 1HH1 ARG 21 2HH2 ARG 21 14.431 0.248 2.623 144 2HH1 ARG 21 1HH2 ARG 21 15.937 -0.565 2.288 145 1HH2 ARG 21 2HH1 ARG 21 15.425 -0.275 -1.239 146 2HH2 ARG 21 1HH1 ARG 21 16.559 -0.912 -0.049 147 H VAL 22 H VAL 22 7.598 1.807 2.765 148 HA VAL 22 HA VAL 22 7.261 2.232 5.498 149 HB VAL 22 HB VAL 22 6.512 3.617 3.409 150 1HG1 VAL 22 1HG1 VAL 22 4.109 3.478 2.919 151 2HG1 VAL 22 2HG1 VAL 22 4.896 1.963 2.537 152 3HG1 VAL 22 3HG1 VAL 22 3.946 2.110 4.036 153 1HG2 VAL 22 1HG2 VAL 22 4.796 4.756 4.759 154 2HG2 VAL 22 2HG2 VAL 22 4.828 3.400 5.909 155 3HG2 VAL 22 3HG2 VAL 22 6.297 4.393 5.663 156 H LEU 23 H LEU 23 5.437 -0.118 3.329 157 HA LEU 23 HA LEU 23 3.860 -0.987 5.566 158 1HB LEU 23 2HB LEU 23 4.344 -2.063 2.792 159 2HB LEU 23 3HB LEU 23 3.520 -3.000 4.014 160 HG LEU 23 HG LEU 23 1.794 -2.154 2.942 161 1HD1 LEU 23 1HD1 LEU 23 1.549 -1.650 5.393 162 2HD1 LEU 23 2HD1 LEU 23 2.012 0.036 5.031 163 3HD1 LEU 23 3HD1 LEU 23 0.551 -0.648 4.327 164 1HD2 LEU 23 1HD2 LEU 23 2.919 -0.696 1.475 165 2HD2 LEU 23 2HD2 LEU 23 1.458 0.097 2.111 166 3HD2 LEU 23 3HD2 LEU 23 3.057 0.553 2.731 167 H ASN 24 H ASN 24 6.896 -2.312 4.206 168 HA ASN 24 HA ASN 24 7.171 -4.547 5.891 169 1HB ASN 24 2HB ASN 24 8.755 -4.276 4.162 170 2HB ASN 24 3HB ASN 24 9.089 -2.603 4.599 171 1HD2 ASN 24 1HD2 ASN 24 10.297 -2.082 6.409 172 2HD2 ASN 24 2HD2 ASN 24 11.470 -3.231 7.075 173 H LYS 25 H LYS 25 7.972 -1.120 6.488 174 HA LYS 25 HA LYS 25 9.080 -1.355 9.047 175 1HB LYS 25 2HB LYS 25 7.691 0.796 7.462 176 2HB LYS 25 3HB LYS 25 7.781 1.054 9.190 177 1HG LYS 25 2HG LYS 25 10.200 0.349 7.469 178 2HG LYS 25 3HG LYS 25 9.669 2.011 7.754 179 1HD LYS 25 2HD LYS 25 9.927 1.733 10.191 180 2HD LYS 25 3HD LYS 25 10.460 0.059 9.974 181 1HE LYS 25 2HE LYS 25 12.398 0.858 8.606 182 2HE LYS 25 3HE LYS 25 11.891 2.532 8.888 183 1HZ LYS 25 1HZ LYS 25 13.612 1.854 10.401 184 2HZ LYS 25 2HZ LYS 25 12.237 2.165 11.244 185 3HZ LYS 25 3HZ LYS 25 12.705 0.611 10.974 186 H LEU 26 H LEU 26 5.693 -1.488 8.125 187 HA LEU 26 HA LEU 26 4.554 -1.122 10.694 188 1HB LEU 26 2HB LEU 26 3.531 -1.248 8.337 189 2HB LEU 26 3HB LEU 26 3.450 -2.964 8.495 190 HG LEU 26 HG LEU 26 1.425 -1.472 8.949 191 1HD1 LEU 26 1HD1 LEU 26 0.395 -2.970 10.474 192 2HD1 LEU 26 2HD1 LEU 26 1.348 -3.854 9.269 193 3HD1 LEU 26 3HD1 LEU 26 1.970 -3.672 10.933 194 1HD2 LEU 26 1HD2 LEU 26 2.523 -1.373 11.789 195 2HD2 LEU 26 2HD2 LEU 26 2.556 0.013 10.674 196 3HD2 LEU 26 3HD2 LEU 26 1.007 -0.686 11.182 197 H GLY 27 H GLY 27 5.849 -3.958 9.012 198 1HA GLY 27 2HA GLY 27 6.827 -5.300 11.133 199 2HA GLY 27 3HA GLY 27 5.111 -5.745 11.232 200 H GLY 28 H GLY 28 4.204 -7.151 9.700 201 1HA GLY 28 2HA GLY 28 6.052 -8.501 7.762 202 2HA GLY 28 3HA GLY 28 5.195 -9.419 9.010 203 H VAL 29 H VAL 29 3.740 -6.632 7.575 204 HA VAL 29 HA VAL 29 1.414 -7.877 6.559 205 HB VAL 29 HB VAL 29 1.503 -5.528 7.161 206 1HG1 VAL 29 1HG1 VAL 29 3.827 -4.960 6.719 207 2HG1 VAL 29 2HG1 VAL 29 3.577 -5.191 4.989 208 3HG1 VAL 29 3HG1 VAL 29 2.745 -3.874 5.854 209 1HG2 VAL 29 1HG2 VAL 29 1.230 -5.600 4.131 210 2HG2 VAL 29 2HG2 VAL 29 -0.034 -6.157 5.253 211 3HG2 VAL 29 3HG2 VAL 29 0.482 -4.461 5.259 212 H LYS 30 H LYS 30 0.848 -8.549 4.467 213 HA LYS 30 HA LYS 30 3.019 -8.646 2.445 214 1HB LYS 30 2HB LYS 30 1.553 -10.718 2.993 215 2HB LYS 30 3HB LYS 30 0.364 -9.919 1.958 216 1HG LYS 30 2HG LYS 30 3.144 -10.902 1.287 217 2HG LYS 30 3HG LYS 30 1.608 -11.383 0.555 218 1HD LYS 30 2HD LYS 30 1.453 -9.065 -0.512 219 2HD LYS 30 3HD LYS 30 3.004 -8.677 0.256 220 1HE LYS 30 2HE LYS 30 3.668 -9.093 -1.817 221 2HE LYS 30 3HE LYS 30 4.087 -10.547 -0.915 222 1HZ LYS 30 1HZ LYS 30 1.877 -10.166 -2.880 223 2HZ LYS 30 2HZ LYS 30 3.117 -11.161 -3.005 224 3HZ LYS 30 3HZ LYS 30 1.943 -11.489 -1.895 225 H TYR 31 H TYR 31 3.077 -6.697 1.690 226 HA TYR 31 HA TYR 31 0.758 -5.271 0.483 227 1HB TYR 31 2HB TYR 31 2.589 -3.718 -0.313 228 2HB TYR 31 3HB TYR 31 2.290 -3.762 1.417 229 HD1 TYR 31 HD1 TYR 31 4.747 -4.679 -1.221 230 HD2 TYR 31 HD2 TYR 31 3.834 -4.905 2.945 231 HE1 TYR 31 HE1 TYR 31 7.125 -5.128 -0.732 232 HE2 TYR 31 HE2 TYR 31 6.243 -5.257 3.478 233 HH TYR 31 HH TYR 31 8.692 -4.707 1.048 234 H ASP 32 H ASP 32 0.110 -6.014 -1.566 235 HA ASP 32 HA ASP 32 2.322 -6.939 -3.334 236 1HB ASP 32 2HB ASP 32 0.099 -8.398 -2.906 237 2HB ASP 32 3HB ASP 32 -0.504 -7.336 -4.191 238 H ILE 33 H ILE 33 1.994 -6.177 -5.605 239 HA ILE 33 HA ILE 33 1.426 -3.237 -5.554 240 HB ILE 33 HB ILE 33 4.244 -4.376 -5.727 241 1HG1 ILE 33 2HG1 ILE 33 2.846 -2.734 -3.562 242 2HG1 ILE 33 3HG1 ILE 33 3.506 -4.371 -3.400 243 1HG2 ILE 33 1HG2 ILE 33 4.989 -2.119 -6.012 244 2HG2 ILE 33 2HG2 ILE 33 3.707 -2.306 -7.187 245 3HG2 ILE 33 3HG2 ILE 33 3.378 -1.472 -5.653 246 1HD1 ILE 33 1HD1 ILE 33 5.780 -3.535 -3.702 247 2HD1 ILE 33 2HD1 ILE 33 5.164 -1.861 -3.808 248 3HD1 ILE 33 3HD1 ILE 33 4.954 -2.779 -2.325 249 H ASP 34 H ASP 34 0.246 -3.170 -7.383 250 HA ASP 34 HA ASP 34 1.286 -4.378 -9.892 251 1HB ASP 34 2HB ASP 34 -1.128 -4.561 -9.385 252 2HB ASP 34 3HB ASP 34 -1.219 -2.789 -9.348 253 H LEU 35 H LEU 35 3.059 -3.194 -10.391 254 HA LEU 35 HA LEU 35 3.216 -0.345 -10.061 255 1HB LEU 35 2HB LEU 35 5.157 -1.823 -9.869 256 2HB LEU 35 3HB LEU 35 5.032 -2.228 -11.583 257 HG LEU 35 HG LEU 35 5.501 0.140 -12.180 258 1HD1 LEU 35 1HD1 LEU 35 5.806 0.538 -9.164 259 2HD1 LEU 35 2HD1 LEU 35 6.391 1.673 -10.389 260 3HD1 LEU 35 3HD1 LEU 35 4.659 1.371 -10.240 261 1HD2 LEU 35 1HD2 LEU 35 7.860 0.128 -11.552 262 2HD2 LEU 35 2HD2 LEU 35 7.543 -1.020 -10.234 263 3HD2 LEU 35 3HD2 LEU 35 7.340 -1.523 -11.929 264 HA PRO 36 HA PRO 36 2.690 -0.168 -14.850 265 1HB PRO 36 2HB PRO 36 0.897 -2.010 -15.968 266 2HB PRO 36 3HB PRO 36 2.673 -2.064 -16.081 267 1HG PRO 36 2HG PRO 36 0.882 -3.535 -14.176 268 2HG PRO 36 3HG PRO 36 2.325 -4.145 -15.025 269 1HD PRO 36 2HD PRO 36 2.424 -3.436 -12.461 270 2HD PRO 36 3HD PRO 36 3.789 -3.025 -13.529 271 H ASN 37 H ASN 37 -0.083 -1.544 -12.948 272 HA ASN 37 HA ASN 37 -1.860 0.548 -14.065 273 1HB ASN 37 2HB ASN 37 -2.453 -1.679 -12.106 274 2HB ASN 37 3HB ASN 37 -3.617 -0.564 -12.785 275 1HD2 ASN 37 1HD2 ASN 37 -2.090 -3.583 -13.299 276 2HD2 ASN 37 2HD2 ASN 37 -2.486 -3.767 -15.010 277 H LYS 38 H LYS 38 0.188 0.184 -11.245 278 HA LYS 38 HA LYS 38 0.614 1.523 -9.557 279 1HB LYS 38 2HB LYS 38 -1.169 3.644 -10.824 280 2HB LYS 38 3HB LYS 38 -0.158 3.790 -9.410 281 1HG LYS 38 2HG LYS 38 1.069 4.821 -11.135 282 2HG LYS 38 3HG LYS 38 1.881 3.302 -10.743 283 1HD LYS 38 2HD LYS 38 1.945 3.690 -13.083 284 2HD LYS 38 3HD LYS 38 0.955 2.277 -12.752 285 1HE LYS 38 2HE LYS 38 -1.116 3.672 -13.043 286 2HE LYS 38 3HE LYS 38 -0.097 5.076 -13.397 287 1HZ LYS 38 1HZ LYS 38 -0.942 3.880 -15.363 288 2HZ LYS 38 2HZ LYS 38 0.708 3.931 -15.323 289 3HZ LYS 38 3HZ LYS 38 -0.072 2.546 -14.917 290 H LYS 39 H LYS 39 -0.886 -0.486 -9.035 291 HA LYS 39 HA LYS 39 -2.950 0.580 -7.147 292 1HB LYS 39 2HB LYS 39 -2.981 -2.208 -8.340 293 2HB LYS 39 3HB LYS 39 -4.091 -1.519 -7.158 294 1HG LYS 39 2HG LYS 39 -5.096 -0.063 -8.736 295 2HG LYS 39 3HG LYS 39 -3.780 -0.270 -9.887 296 1HD LYS 39 2HD LYS 39 -5.621 -1.496 -10.724 297 2HD LYS 39 3HD LYS 39 -4.381 -2.647 -10.252 298 1HE LYS 39 2HE LYS 39 -6.904 -1.974 -8.620 299 2HE LYS 39 3HE LYS 39 -6.735 -3.333 -9.736 300 1HZ LYS 39 1HZ LYS 39 -5.500 -3.018 -7.104 301 2HZ LYS 39 2HZ LYS 39 -6.355 -4.211 -7.635 302 3HZ LYS 39 3HZ LYS 39 -4.821 -4.046 -8.219 303 H VAL 40 H VAL 40 -2.577 -0.018 -4.982 304 HA VAL 40 HA VAL 40 -0.356 -1.903 -4.421 305 HB VAL 40 HB VAL 40 -1.332 0.680 -3.181 306 1HG1 VAL 40 1HG1 VAL 40 -0.068 0.103 -1.133 307 2HG1 VAL 40 2HG1 VAL 40 -1.554 -0.823 -1.412 308 3HG1 VAL 40 3HG1 VAL 40 0.034 -1.584 -1.723 309 1HG2 VAL 40 1HG2 VAL 40 1.057 1.169 -3.115 310 2HG2 VAL 40 2HG2 VAL 40 1.439 -0.477 -3.697 311 3HG2 VAL 40 3HG2 VAL 40 0.597 0.668 -4.748 312 H CYS 41 H CYS 41 -1.053 -3.641 -3.297 313 HA CYS 41 HA CYS 41 -3.977 -3.872 -2.684 314 1HB CYS 41 2HB CYS 41 -2.455 -5.949 -4.301 315 2HB CYS 41 3HB CYS 41 -4.209 -5.753 -4.048 316 HG CYS 41 HG CYS 41 -4.368 -3.479 -5.288 317 H ILE 42 H ILE 42 -3.623 -3.993 -0.465 318 HA ILE 42 HA ILE 42 -1.401 -5.702 0.514 319 HB ILE 42 HB ILE 42 -3.346 -3.963 2.059 320 1HG1 ILE 42 2HG1 ILE 42 -0.489 -3.424 1.099 321 2HG1 ILE 42 3HG1 ILE 42 -1.944 -2.602 0.535 322 1HG2 ILE 42 1HG2 ILE 42 -1.714 -4.269 3.914 323 2HG2 ILE 42 2HG2 ILE 42 -2.357 -5.814 3.394 324 3HG2 ILE 42 3HG2 ILE 42 -0.739 -5.310 2.864 325 1HD1 ILE 42 1HD1 ILE 42 -0.703 -2.393 3.286 326 2HD1 ILE 42 2HD1 ILE 42 -0.837 -1.146 2.041 327 3HD1 ILE 42 3HD1 ILE 42 -2.298 -1.724 2.863 328 H GLU 43 H GLU 43 -1.773 -7.631 1.586 329 HA GLU 43 HA GLU 43 -4.579 -8.590 1.914 330 1HB GLU 43 2HB GLU 43 -3.459 -9.299 -0.307 331 2HB GLU 43 3HB GLU 43 -2.405 -10.319 0.680 332 1HG GLU 43 2HG GLU 43 -5.465 -10.433 0.696 333 2HG GLU 43 3HG GLU 43 -4.425 -11.469 -0.290 334 H SER 44 H SER 44 -4.420 -8.295 4.160 335 HA SER 44 HA SER 44 -2.842 -10.259 5.587 336 1HB SER 44 2HB SER 44 -2.173 -7.298 5.909 337 2HB SER 44 3HB SER 44 -1.658 -8.566 7.035 338 HG SER 44 HG SER 44 -1.056 -9.301 4.533 339 H GLU 45 H GLU 45 -3.530 -10.512 7.741 340 HA GLU 45 HA GLU 45 -6.085 -9.381 8.473 341 1HB GLU 45 2HB GLU 45 -5.509 -10.588 10.699 342 2HB GLU 45 3HB GLU 45 -6.035 -11.470 9.265 343 1HG GLU 45 2HG GLU 45 -3.862 -12.148 8.701 344 2HG GLU 45 3HG GLU 45 -3.123 -11.019 9.877 345 H HIS 46 H HIS 46 -5.136 -7.154 8.095 346 HA HIS 46 HA HIS 46 -4.300 -5.995 10.713 347 1HB HIS 46 2HB HIS 46 -3.279 -5.277 7.934 348 2HB HIS 46 3HB HIS 46 -3.041 -4.275 9.369 349 HD1 HIS 46 1HD HIS 46 -2.150 -6.612 11.405 350 HD2 HIS 46 2HD HIS 46 -0.754 -5.846 7.520 351 HE1 HIS 46 1HE HIS 46 0.300 -7.334 11.348 352 H SER 47 H SER 47 -5.291 -3.999 11.133 353 HA SER 47 HA SER 47 -7.868 -3.650 9.927 354 1HB SER 47 2HB SER 47 -7.388 -3.010 12.263 355 2HB SER 47 3HB SER 47 -6.291 -1.739 11.687 356 HG SER 47 HG SER 47 -8.363 -0.899 12.075 357 H MET 48 H MET 48 -8.413 -2.569 8.141 358 HA MET 48 HA MET 48 -6.959 -1.433 6.184 359 1HB MET 48 2HB MET 48 -9.422 -1.954 6.326 360 2HB MET 48 3HB MET 48 -9.649 -0.485 7.286 361 1HG MET 48 2HG MET 48 -8.865 0.867 5.386 362 2HG MET 48 3HG MET 48 -8.478 -0.616 4.498 363 1HE MET 48 1HE MET 48 -11.330 1.680 5.900 364 2HE MET 48 2HE MET 48 -12.793 0.809 5.381 365 3HE MET 48 3HE MET 48 -11.775 0.130 6.667 366 H ASP 49 H ASP 49 -8.333 0.256 9.013 367 HA ASP 49 HA ASP 49 -7.526 2.906 8.660 368 1HB ASP 49 2HB ASP 49 -8.849 2.540 10.562 369 2HB ASP 49 3HB ASP 49 -7.941 1.104 11.051 370 H THR 50 H THR 50 -5.833 0.438 10.428 371 HA THR 50 HA THR 50 -3.611 2.004 11.039 372 HB THR 50 HB THR 50 -3.807 -1.027 11.026 373 HG1 THR 50 1HG THR 50 -5.185 0.935 12.443 374 1HG2 THR 50 1HG2 THR 50 -2.291 0.896 12.851 375 2HG2 THR 50 2HG2 THR 50 -2.384 -0.867 13.039 376 3HG2 THR 50 3HG2 THR 50 -1.557 -0.174 11.634 377 H LEU 51 H LEU 51 -4.090 -0.394 8.416 378 HA LEU 51 HA LEU 51 -1.455 -0.174 7.267 379 1HB LEU 51 2HB LEU 51 -4.137 -0.516 5.859 380 2HB LEU 51 3HB LEU 51 -2.538 -0.686 5.111 381 HG LEU 51 HG LEU 51 -3.552 -2.371 7.469 382 1HD1 LEU 51 1HD1 LEU 51 -4.968 -2.771 5.555 383 2HD1 LEU 51 2HD1 LEU 51 -3.569 -2.979 4.491 384 3HD1 LEU 51 3HD1 LEU 51 -3.898 -4.163 5.777 385 1HD2 LEU 51 1HD2 LEU 51 -1.684 -3.904 6.684 386 2HD2 LEU 51 2HD2 LEU 51 -1.111 -2.577 5.660 387 3HD2 LEU 51 3HD2 LEU 51 -1.138 -2.399 7.428 388 H LEU 52 H LEU 52 -4.483 1.653 6.607 389 HA LEU 52 HA LEU 52 -3.462 3.521 4.827 390 1HB LEU 52 2HB LEU 52 -5.838 3.168 6.345 391 2HB LEU 52 3HB LEU 52 -5.359 4.817 6.626 392 HG LEU 52 HG LEU 52 -5.348 3.710 3.805 393 1HD1 LEU 52 1HD1 LEU 52 -7.747 4.305 3.591 394 2HD1 LEU 52 2HD1 LEU 52 -7.447 2.922 4.659 395 3HD1 LEU 52 3HD1 LEU 52 -7.827 4.518 5.354 396 1HD2 LEU 52 1HD2 LEU 52 -4.491 5.993 4.236 397 2HD2 LEU 52 2HD2 LEU 52 -5.927 5.984 3.197 398 3HD2 LEU 52 3HD2 LEU 52 -6.083 6.447 4.904 399 H ALA 53 H ALA 53 -3.545 3.830 8.393 400 HA ALA 53 HA ALA 53 -2.246 6.350 8.548 401 1HB ALA 53 1HB ALA 53 -1.949 5.789 10.929 402 2HB ALA 53 2HB ALA 53 -3.577 5.317 10.396 403 3HB ALA 53 3HB ALA 53 -2.313 4.085 10.592 404 H THR 54 H THR 54 -0.875 3.047 8.577 405 HA THR 54 HA THR 54 1.831 3.877 8.902 406 HB THR 54 HB THR 54 0.698 1.533 7.296 407 HG1 THR 54 1HG THR 54 0.013 1.468 9.409 408 1HG2 THR 54 1HG2 THR 54 3.448 1.824 8.537 409 2HG2 THR 54 2HG2 THR 54 2.795 0.517 7.521 410 3HG2 THR 54 3HG2 THR 54 3.103 2.079 6.807 411 H LEU 55 H LEU 55 0.050 3.086 5.890 412 HA LEU 55 HA LEU 55 2.290 3.689 4.303 413 1HB LEU 55 2HB LEU 55 1.001 3.053 2.458 414 2HB LEU 55 3HB LEU 55 0.685 2.011 3.806 415 HG LEU 55 HG LEU 55 -1.412 3.311 4.229 416 1HD1 LEU 55 1HD1 LEU 55 -2.010 4.214 1.683 417 2HD1 LEU 55 2HD1 LEU 55 -1.543 5.236 3.045 418 3HD1 LEU 55 3HD1 LEU 55 -0.294 4.667 1.913 419 1HD2 LEU 55 1HD2 LEU 55 -1.078 1.795 1.606 420 2HD2 LEU 55 2HD2 LEU 55 -1.337 1.063 3.209 421 3HD2 LEU 55 3HD2 LEU 55 -2.615 2.041 2.469 422 H LYS 56 H LYS 56 -0.498 5.576 5.060 423 HA LYS 56 HA LYS 56 -0.552 7.820 3.626 424 1HB LYS 56 2HB LYS 56 -0.623 7.335 6.583 425 2HB LYS 56 3HB LYS 56 -0.351 9.001 6.140 426 1HG LYS 56 2HG LYS 56 -2.401 8.982 4.716 427 2HG LYS 56 3HG LYS 56 -2.744 7.355 5.308 428 1HD LYS 56 2HD LYS 56 -2.359 8.506 7.713 429 2HD LYS 56 3HD LYS 56 -2.575 9.996 6.812 430 1HE LYS 56 2HE LYS 56 -4.713 9.493 7.720 431 2HE LYS 56 3HE LYS 56 -4.825 9.094 6.000 432 1HZ LYS 56 1HZ LYS 56 -4.412 7.180 8.221 433 2HZ LYS 56 2HZ LYS 56 -5.793 7.384 7.364 434 3HZ LYS 56 3HZ LYS 56 -4.453 6.776 6.628 435 H LYS 57 H LYS 57 2.088 7.086 5.877 436 HA LYS 57 HA LYS 57 3.360 9.599 5.868 437 1HB LYS 57 2HB LYS 57 4.380 6.802 6.429 438 2HB LYS 57 3HB LYS 57 5.297 8.287 6.785 439 1HG LYS 57 2HG LYS 57 3.355 9.051 8.198 440 2HG LYS 57 3HG LYS 57 2.565 7.504 7.907 441 1HD LYS 57 2HD LYS 57 5.338 7.710 9.153 442 2HD LYS 57 3HD LYS 57 3.843 7.816 10.104 443 1HE LYS 57 2HE LYS 57 3.086 5.642 9.217 444 2HE LYS 57 3HE LYS 57 4.601 5.448 8.318 445 1HZ LYS 57 1HZ LYS 57 5.751 5.463 10.442 446 2HZ LYS 57 2HZ LYS 57 4.322 5.624 11.249 447 3HZ LYS 57 3HZ LYS 57 4.628 4.262 10.385 448 H THR 58 H THR 58 3.334 7.298 3.206 449 HA THR 58 HA THR 58 5.840 8.119 2.035 450 HB THR 58 HB THR 58 4.718 7.398 -0.109 451 HG1 THR 58 1HG THR 58 2.536 7.900 0.598 452 1HG2 THR 58 1HG2 THR 58 4.531 5.546 2.281 453 2HG2 THR 58 2HG2 THR 58 4.540 5.021 0.581 454 3HG2 THR 58 3HG2 THR 58 5.972 5.819 1.281 455 H GLY 59 H GLY 59 2.701 9.680 2.361 456 1HA GLY 59 2HA GLY 59 1.891 11.661 1.629 457 2HA GLY 59 3HA GLY 59 3.585 12.187 1.485 458 H LYS 60 H LYS 60 1.352 9.925 -0.226 459 HA LYS 60 HA LYS 60 1.805 11.255 -2.816 460 1HB LYS 60 2HB LYS 60 1.974 8.243 -2.295 461 2HB LYS 60 3HB LYS 60 2.097 9.013 -3.876 462 1HG LYS 60 2HG LYS 60 4.056 9.400 -1.567 463 2HG LYS 60 3HG LYS 60 4.271 8.260 -2.864 464 1HD LYS 60 2HD LYS 60 4.558 9.903 -4.525 465 2HD LYS 60 3HD LYS 60 3.877 11.196 -3.547 466 1HE LYS 60 2HE LYS 60 6.535 9.809 -2.961 467 2HE LYS 60 3HE LYS 60 6.315 11.365 -3.769 468 1HZ LYS 60 1HZ LYS 60 5.053 12.005 -1.663 469 2HZ LYS 60 2HZ LYS 60 5.751 10.734 -0.949 470 3HZ LYS 60 3HZ LYS 60 6.707 11.918 -1.563 471 H THR 61 H THR 61 0.095 10.424 -4.405 472 HA THR 61 HA THR 61 -2.464 10.571 -3.284 473 HB THR 61 HB THR 61 -1.753 9.603 -6.057 474 HG1 THR 61 1HG THR 61 -1.399 12.271 -5.178 475 1HG2 THR 61 1HG2 THR 61 -3.676 11.757 -5.044 476 2HG2 THR 61 2HG2 THR 61 -3.476 11.248 -6.736 477 3HG2 THR 61 3HG2 THR 61 -4.144 10.116 -5.544 478 H VAL 62 H VAL 62 -1.412 8.341 -2.024 479 HA VAL 62 HA VAL 62 -2.399 5.887 -3.341 480 HB VAL 62 HB VAL 62 -0.380 5.639 -2.194 481 1HG1 VAL 62 1HG1 VAL 62 -1.604 6.650 0.394 482 2HG1 VAL 62 2HG1 VAL 62 0.021 5.977 0.150 483 3HG1 VAL 62 3HG1 VAL 62 -0.399 7.497 -0.597 484 1HG2 VAL 62 1HG2 VAL 62 -2.572 4.355 -0.524 485 2HG2 VAL 62 2HG2 VAL 62 -1.926 3.746 -2.050 486 3HG2 VAL 62 3HG2 VAL 62 -0.879 3.832 -0.631 487 H SER 63 H SER 63 -4.538 6.336 -3.662 488 HA SER 63 HA SER 63 -6.314 7.040 -1.402 489 1HB SER 63 2HB SER 63 -6.850 6.397 -4.331 490 2HB SER 63 3HB SER 63 -8.055 6.992 -3.167 491 HG SER 63 HG SER 63 -7.018 8.656 -4.486 492 H TYR 64 H TYR 64 -8.028 5.591 -0.724 493 HA TYR 64 HA TYR 64 -7.339 2.696 -0.910 494 1HB TYR 64 2HB TYR 64 -7.243 3.471 1.327 495 2HB TYR 64 3HB TYR 64 -8.660 4.490 1.127 496 HD1 TYR 64 HD1 TYR 64 -10.715 3.790 1.919 497 HD2 TYR 64 HD2 TYR 64 -7.771 0.828 0.841 498 HE1 TYR 64 HE1 TYR 64 -12.471 2.078 1.832 499 HE2 TYR 64 HE2 TYR 64 -9.526 -0.892 0.795 500 HH TYR 64 HH TYR 64 -12.979 -0.071 1.190 501 H LEU 65 H LEU 65 -8.712 1.309 -1.986 502 HA LEU 65 HA LEU 65 -11.559 1.818 -2.120 503 1HB LEU 65 2HB LEU 65 -11.519 1.629 -4.664 504 2HB LEU 65 3HB LEU 65 -11.295 3.169 -3.873 505 HG LEU 65 HG LEU 65 -9.874 2.794 -5.810 506 1HD1 LEU 65 1HD1 LEU 65 -9.357 4.379 -3.889 507 2HD1 LEU 65 2HD1 LEU 65 -8.024 3.241 -3.579 508 3HD1 LEU 65 3HD1 LEU 65 -8.142 4.065 -5.129 509 1HD2 LEU 65 1HD2 LEU 65 -9.265 0.482 -5.702 510 2HD2 LEU 65 2HD2 LEU 65 -7.829 1.483 -5.763 511 3HD2 LEU 65 3HD2 LEU 65 -8.313 0.771 -4.223 512 H GLY 66 H GLY 66 -11.288 -0.319 -0.886 513 1HA GLY 66 2HA GLY 66 -12.818 -2.105 -1.983 514 2HA GLY 66 3HA GLY 66 -11.331 -2.614 -2.790 515 H LEU 67 H LEU 67 -13.227 -3.194 -0.051 516 HA LEU 67 HA LEU 67 -10.991 -4.177 1.613 517 1HB LEU 67 2HB LEU 67 -12.104 -2.423 2.774 518 2HB LEU 67 3HB LEU 67 -13.678 -2.855 2.094 519 HG LEU 67 HG LEU 67 -13.702 -4.915 3.360 520 1HD1 LEU 67 1HD1 LEU 67 -11.228 -5.199 3.779 521 2HD1 LEU 67 2HD1 LEU 67 -11.250 -3.718 4.761 522 3HD1 LEU 67 3HD1 LEU 67 -12.113 -5.157 5.315 523 1HD2 LEU 67 1HD2 LEU 67 -14.211 -3.854 5.551 524 2HD2 LEU 67 2HD2 LEU 67 -13.370 -2.380 5.021 525 3HD2 LEU 67 3HD2 LEU 67 -14.850 -2.912 4.191 526 H GLU 68 H GLU 68 -10.978 -6.463 1.465 527 HA GLU 68 HA GLU 68 -13.460 -7.934 0.793 528 1HB GLU 68 2HB GLU 68 -12.406 -7.058 -1.326 529 2HB GLU 68 3HB GLU 68 -10.914 -7.855 -0.844 530 1HG GLU 68 2HG GLU 68 -12.197 -10.063 -0.955 531 2HG GLU 68 3HG GLU 68 -13.512 -9.150 -1.725 Start of MODEL 15 1 1H MET 1 H1 MET 1 -11.092 -11.118 1.542 2 2H MET 1 H2 MET 1 -12.502 -11.780 1.990 3 3H MET 1 H3 MET 1 -11.895 -10.397 2.709 4 HA MET 1 HA MET 1 -11.490 -12.582 4.004 5 1HB MET 1 2HB MET 1 -10.137 -13.105 1.698 6 2HB MET 1 3HB MET 1 -8.846 -12.300 2.549 7 1HG MET 1 2HG MET 1 -9.366 -14.041 4.462 8 2HG MET 1 3HG MET 1 -10.485 -14.771 3.317 9 1HE MET 1 1HE MET 1 -8.193 -16.347 4.821 10 2HE MET 1 2HE MET 1 -9.330 -17.090 3.667 11 3HE MET 1 3HE MET 1 -7.579 -17.356 3.490 12 HA PRO 2 HA PRO 2 -9.421 -8.699 5.558 13 1HB PRO 2 2HB PRO 2 -7.086 -8.992 6.782 14 2HB PRO 2 3HB PRO 2 -8.484 -9.962 7.312 15 1HG PRO 2 2HG PRO 2 -6.258 -10.834 5.439 16 2HG PRO 2 3HG PRO 2 -6.853 -11.682 6.892 17 1HD PRO 2 2HD PRO 2 -7.716 -12.252 4.366 18 2HD PRO 2 3HD PRO 2 -8.779 -12.400 5.805 19 H LYS 3 H LYS 3 -9.356 -8.414 2.874 20 HA LYS 3 HA LYS 3 -6.651 -7.375 2.310 21 1HB LYS 3 2HB LYS 3 -6.662 -9.403 1.237 22 2HB LYS 3 3HB LYS 3 -8.340 -9.313 0.793 23 1HG LYS 3 2HG LYS 3 -6.532 -7.258 -0.438 24 2HG LYS 3 3HG LYS 3 -6.235 -8.911 -0.921 25 1HD LYS 3 2HD LYS 3 -9.084 -7.875 -0.984 26 2HD LYS 3 3HD LYS 3 -7.954 -7.386 -2.248 27 1HE LYS 3 2HE LYS 3 -9.262 -9.400 -2.888 28 2HE LYS 3 3HE LYS 3 -7.509 -9.664 -2.909 29 1HZ LYS 3 1HZ LYS 3 -8.724 -11.488 -1.866 30 2HZ LYS 3 2HZ LYS 3 -7.676 -10.803 -0.820 31 3HZ LYS 3 3HZ LYS 3 -9.292 -10.471 -0.703 32 H HIS 4 H HIS 4 -6.443 -5.582 1.162 33 HA HIS 4 HA HIS 4 -8.896 -3.924 0.825 34 1HB HIS 4 2HB HIS 4 -6.343 -3.149 2.262 35 2HB HIS 4 3HB HIS 4 -7.850 -2.225 2.188 36 HD1 HIS 4 1HD HIS 4 -6.019 -4.740 4.246 37 HD2 HIS 4 2HD HIS 4 -10.029 -3.769 3.425 38 HE1 HIS 4 1HE HIS 4 -7.423 -5.913 6.016 39 H GLU 5 H GLU 5 -8.822 -2.832 -1.127 40 HA GLU 5 HA GLU 5 -6.284 -2.881 -2.706 41 1HB GLU 5 2HB GLU 5 -9.218 -2.522 -3.451 42 2HB GLU 5 3HB GLU 5 -7.887 -2.205 -4.548 43 1HG GLU 5 2HG GLU 5 -7.216 -4.709 -3.699 44 2HG GLU 5 3HG GLU 5 -8.983 -4.795 -3.627 45 H PHE 6 H PHE 6 -5.296 -0.989 -3.376 46 HA PHE 6 HA PHE 6 -6.665 1.576 -2.811 47 1HB PHE 6 2HB PHE 6 -3.720 0.962 -2.226 48 2HB PHE 6 3HB PHE 6 -4.544 2.459 -1.857 49 HD1 PHE 6 1HD PHE 6 -4.268 -1.152 -0.978 50 HD2 PHE 6 2HD PHE 6 -5.527 2.754 0.397 51 HE1 PHE 6 1HE PHE 6 -4.701 -2.061 1.252 52 HE2 PHE 6 2HE PHE 6 -6.152 1.763 2.554 53 HZ PHE 6 HZ PHE 6 -5.688 -0.620 3.035 54 H SER 7 H SER 7 -6.372 3.070 -4.393 55 HA SER 7 HA SER 7 -4.760 2.284 -6.785 56 1HB SER 7 2HB SER 7 -7.158 3.019 -7.138 57 2HB SER 7 3HB SER 7 -6.661 4.638 -6.568 58 HG SER 7 HG SER 7 -6.536 4.364 -8.868 59 H VAL 8 H VAL 8 -3.118 3.711 -7.522 60 HA VAL 8 HA VAL 8 -2.034 5.575 -5.459 61 HB VAL 8 HB VAL 8 -0.762 3.138 -6.794 62 1HG1 VAL 8 1HG1 VAL 8 0.905 4.739 -6.565 63 2HG1 VAL 8 2HG1 VAL 8 0.392 5.204 -4.913 64 3HG1 VAL 8 3HG1 VAL 8 1.116 3.605 -5.227 65 1HG2 VAL 8 1HG2 VAL 8 -1.545 3.638 -3.899 66 2HG2 VAL 8 2HG2 VAL 8 -2.244 2.411 -4.980 67 3HG2 VAL 8 3HG2 VAL 8 -0.570 2.279 -4.464 68 H ASP 9 H ASP 9 -0.855 7.333 -6.297 69 HA ASP 9 HA ASP 9 0.208 6.963 -9.076 70 1HB ASP 9 2HB ASP 9 -0.778 9.147 -8.959 71 2HB ASP 9 3HB ASP 9 0.119 9.512 -7.468 72 H MET 10 H MET 10 1.958 5.647 -8.774 73 HA MET 10 HA MET 10 4.243 6.896 -7.332 74 1HB MET 10 2HB MET 10 3.302 4.023 -7.623 75 2HB MET 10 3HB MET 10 4.985 4.386 -7.311 76 1HG MET 10 2HG MET 10 2.728 5.538 -5.614 77 2HG MET 10 3HG MET 10 3.404 3.948 -5.325 78 1HE MET 10 1HE MET 10 3.592 4.856 -2.795 79 2HE MET 10 2HE MET 10 4.504 6.311 -2.337 80 3HE MET 10 3HE MET 10 2.998 6.462 -3.275 81 H THR 11 H THR 11 5.215 7.926 -9.046 82 HA THR 11 HA THR 11 5.761 6.316 -11.511 83 HB THR 11 HB THR 11 5.286 9.321 -11.454 84 HG1 THR 11 1HG THR 11 3.287 8.492 -10.947 85 1HG2 THR 11 1HG2 THR 11 5.192 7.226 -13.687 86 2HG2 THR 11 2HG2 THR 11 4.833 8.954 -13.864 87 3HG2 THR 11 3HG2 THR 11 6.474 8.434 -13.481 88 H CYS 12 H CYS 12 7.626 6.113 -9.411 89 HA CYS 12 HA CYS 12 9.848 7.039 -11.046 90 1HB CYS 12 2HB CYS 12 9.515 8.998 -9.487 91 2HB CYS 12 3HB CYS 12 9.814 7.899 -8.123 92 HG CYS 12 HG CYS 12 11.686 8.677 -10.723 93 H GLY 13 H GLY 13 9.425 4.674 -11.208 94 1HA GLY 13 2HA GLY 13 9.888 2.470 -10.754 95 2HA GLY 13 3HA GLY 13 11.507 3.165 -10.679 96 H GLY 14 H GLY 14 12.364 3.707 -8.558 97 1HA GLY 14 2HA GLY 14 12.094 1.656 -6.621 98 2HA GLY 14 3HA GLY 14 12.985 3.184 -6.416 99 H CYS 15 H CYS 15 10.078 4.380 -7.125 100 HA CYS 15 HA CYS 15 8.660 4.830 -4.803 101 1HB CYS 15 2HB CYS 15 7.665 4.021 -7.533 102 2HB CYS 15 3HB CYS 15 6.659 4.306 -6.097 103 HG CYS 15 HG CYS 15 6.354 6.469 -7.081 104 H ALA 16 H ALA 16 8.836 1.751 -6.677 105 HA ALA 16 HA ALA 16 7.066 0.189 -5.156 106 1HB ALA 16 1HB ALA 16 8.097 -0.548 -7.274 107 2HB ALA 16 2HB ALA 16 9.688 -0.636 -6.485 108 3HB ALA 16 3HB ALA 16 8.383 -1.736 -5.986 109 H GLU 17 H GLU 17 10.526 0.958 -4.493 110 HA GLU 17 HA GLU 17 10.593 -0.638 -2.062 111 1HB GLU 17 2HB GLU 17 12.450 1.534 -3.137 112 2HB GLU 17 3HB GLU 17 12.546 0.843 -1.529 113 1HG GLU 17 2HG GLU 17 12.509 -1.490 -2.872 114 2HG GLU 17 3HG GLU 17 13.174 -0.454 -4.150 115 H ALA 18 H ALA 18 9.713 2.749 -2.881 116 HA ALA 18 HA ALA 18 9.693 3.695 -0.181 117 1HB ALA 18 1HB ALA 18 9.351 5.157 -2.200 118 2HB ALA 18 2HB ALA 18 7.686 4.530 -2.315 119 3HB ALA 18 3HB ALA 18 8.191 5.421 -0.881 120 H VAL 19 H VAL 19 7.112 2.168 -2.135 121 HA VAL 19 HA VAL 19 5.203 1.968 -0.038 122 HB VAL 19 HB VAL 19 5.535 0.102 -2.435 123 1HG1 VAL 19 1HG1 VAL 19 3.179 -0.417 -2.072 124 2HG1 VAL 19 2HG1 VAL 19 4.071 -0.804 -0.605 125 3HG1 VAL 19 3HG1 VAL 19 3.110 0.682 -0.674 126 1HG2 VAL 19 1HG2 VAL 19 5.227 2.489 -3.134 127 2HG2 VAL 19 2HG2 VAL 19 3.789 1.520 -3.473 128 3HG2 VAL 19 3HG2 VAL 19 3.814 2.599 -2.064 129 H SER 20 H SER 20 7.564 -0.478 -1.282 130 HA SER 20 HA SER 20 6.792 -2.449 0.546 131 1HB SER 20 2HB SER 20 8.252 -2.723 -1.543 132 2HB SER 20 3HB SER 20 9.621 -2.135 -0.583 133 HG SER 20 HG SER 20 9.343 -3.903 0.819 134 H ARG 21 H ARG 21 9.318 0.025 0.999 135 HA ARG 21 HA ARG 21 10.186 -0.970 3.523 136 1HB ARG 21 2HB ARG 21 10.380 1.783 2.245 137 2HB ARG 21 3HB ARG 21 11.177 1.320 3.759 138 1HG ARG 21 2HG ARG 21 12.415 -0.476 2.618 139 2HG ARG 21 3HG ARG 21 11.628 -0.112 1.091 140 1HD ARG 21 2HD ARG 21 12.573 2.220 1.201 141 2HD ARG 21 3HD ARG 21 13.479 1.715 2.652 142 HE ARG 21 HE ARG 21 13.905 0.001 0.266 143 1HH1 ARG 21 2HH2 ARG 21 14.966 3.008 1.786 144 2HH1 ARG 21 1HH2 ARG 21 16.506 3.016 0.976 145 1HH2 ARG 21 2HH1 ARG 21 15.755 0.051 -0.841 146 2HH2 ARG 21 1HH1 ARG 21 16.991 1.257 -0.614 147 H VAL 22 H VAL 22 7.777 1.761 2.745 148 HA VAL 22 HA VAL 22 7.287 2.229 5.443 149 HB VAL 22 HB VAL 22 6.752 3.646 3.359 150 1HG1 VAL 22 1HG1 VAL 22 4.435 3.522 2.553 151 2HG1 VAL 22 2HG1 VAL 22 5.255 1.995 2.253 152 3HG1 VAL 22 3HG1 VAL 22 4.141 2.149 3.629 153 1HG2 VAL 22 1HG2 VAL 22 6.236 4.357 5.592 154 2HG2 VAL 22 2HG2 VAL 22 4.873 4.756 4.501 155 3HG2 VAL 22 3HG2 VAL 22 4.742 3.368 5.601 156 H LEU 23 H LEU 23 5.582 -0.084 3.196 157 HA LEU 23 HA LEU 23 3.799 -1.002 5.246 158 1HB LEU 23 2HB LEU 23 4.705 -2.032 2.539 159 2HB LEU 23 3HB LEU 23 3.813 -3.074 3.612 160 HG LEU 23 HG LEU 23 2.327 -2.111 2.022 161 1HD1 LEU 23 1HD1 LEU 23 1.403 -2.701 4.222 162 2HD1 LEU 23 2HD1 LEU 23 1.761 -1.067 4.832 163 3HD1 LEU 23 3HD1 LEU 23 0.601 -1.280 3.529 164 1HD2 LEU 23 1HD2 LEU 23 2.792 0.536 3.352 165 2HD2 LEU 23 2HD2 LEU 23 3.513 0.067 1.787 166 3HD2 LEU 23 3HD2 LEU 23 1.748 0.202 1.957 167 H ASN 24 H ASN 24 6.991 -2.339 4.193 168 HA ASN 24 HA ASN 24 7.039 -4.556 5.907 169 1HB ASN 24 2HB ASN 24 8.746 -4.325 4.257 170 2HB ASN 24 3HB ASN 24 9.145 -2.691 4.789 171 1HD2 ASN 24 1HD2 ASN 24 10.257 -2.295 6.648 172 2HD2 ASN 24 2HD2 ASN 24 11.307 -3.525 7.378 173 H LYS 25 H LYS 25 7.934 -1.176 6.512 174 HA LYS 25 HA LYS 25 8.975 -1.328 9.083 175 1HB LYS 25 2HB LYS 25 7.551 0.763 7.425 176 2HB LYS 25 3HB LYS 25 7.651 1.069 9.151 177 1HG LYS 25 2HG LYS 25 10.083 0.335 7.467 178 2HG LYS 25 3HG LYS 25 9.527 2.001 7.681 179 1HD LYS 25 2HD LYS 25 9.761 1.830 10.125 180 2HD LYS 25 3HD LYS 25 10.299 0.149 9.991 181 1HE LYS 25 2HE LYS 25 12.258 0.891 8.623 182 2HE LYS 25 3HE LYS 25 11.744 2.576 8.823 183 1HZ LYS 25 1HZ LYS 25 12.523 0.747 11.005 184 2HZ LYS 25 2HZ LYS 25 13.438 1.966 10.395 185 3HZ LYS 25 3HZ LYS 25 12.047 2.311 11.199 186 H LEU 26 H LEU 26 5.593 -1.495 8.120 187 HA LEU 26 HA LEU 26 4.452 -1.037 10.683 188 1HB LEU 26 2HB LEU 26 3.411 -0.996 8.453 189 2HB LEU 26 3HB LEU 26 3.371 -2.728 8.346 190 HG LEU 26 HG LEU 26 1.301 -1.439 8.937 191 1HD1 LEU 26 1HD1 LEU 26 1.364 -3.828 9.116 192 2HD1 LEU 26 2HD1 LEU 26 1.911 -3.712 10.811 193 3HD1 LEU 26 3HD1 LEU 26 0.320 -3.066 10.331 194 1HD2 LEU 26 1HD2 LEU 26 0.852 -0.799 11.237 195 2HD2 LEU 26 2HD2 LEU 26 2.405 -1.437 11.789 196 3HD2 LEU 26 3HD2 LEU 26 2.355 0.008 10.757 197 H GLY 27 H GLY 27 5.733 -3.926 9.078 198 1HA GLY 27 2HA GLY 27 6.410 -5.267 11.392 199 2HA GLY 27 3HA GLY 27 4.712 -5.717 11.133 200 H GLY 28 H GLY 28 4.150 -7.081 9.412 201 1HA GLY 28 2HA GLY 28 6.250 -8.240 7.663 202 2HA GLY 28 3HA GLY 28 5.491 -9.306 8.864 203 H VAL 29 H VAL 29 4.084 -6.607 7.139 204 HA VAL 29 HA VAL 29 1.667 -7.952 6.472 205 HB VAL 29 HB VAL 29 1.695 -5.624 6.955 206 1HG1 VAL 29 1HG1 VAL 29 3.504 -5.119 4.572 207 2HG1 VAL 29 2HG1 VAL 29 2.740 -3.902 5.614 208 3HG1 VAL 29 3HG1 VAL 29 3.975 -4.957 6.271 209 1HG2 VAL 29 1HG2 VAL 29 1.186 -5.793 3.962 210 2HG2 VAL 29 2HG2 VAL 29 0.073 -6.420 5.192 211 3HG2 VAL 29 3HG2 VAL 29 0.438 -4.690 5.132 212 H LYS 30 H LYS 30 1.093 -9.106 4.679 213 HA LYS 30 HA LYS 30 2.861 -9.088 2.304 214 1HB LYS 30 2HB LYS 30 2.017 -11.263 2.639 215 2HB LYS 30 3HB LYS 30 0.376 -10.672 2.929 216 1HG LYS 30 2HG LYS 30 0.496 -11.703 0.735 217 2HG LYS 30 3HG LYS 30 0.138 -9.995 0.589 218 1HD LYS 30 2HD LYS 30 2.818 -9.824 0.285 219 2HD LYS 30 3HD LYS 30 2.667 -11.506 -0.173 220 1HE LYS 30 2HE LYS 30 1.084 -9.186 -1.423 221 2HE LYS 30 3HE LYS 30 2.668 -9.690 -2.006 222 1HZ LYS 30 1HZ LYS 30 0.205 -11.288 -2.092 223 2HZ LYS 30 2HZ LYS 30 1.045 -10.608 -3.337 224 3HZ LYS 30 3HZ LYS 30 1.708 -11.850 -2.512 225 H TYR 31 H TYR 31 2.646 -7.442 1.005 226 HA TYR 31 HA TYR 31 -0.010 -6.541 0.219 227 1HB TYR 31 2HB TYR 31 0.614 -4.239 0.137 228 2HB TYR 31 3HB TYR 31 0.994 -4.761 1.782 229 HD1 TYR 31 HD1 TYR 31 2.204 -3.104 -1.136 230 HD2 TYR 31 HD2 TYR 31 3.531 -5.566 2.151 231 HE1 TYR 31 HE1 TYR 31 4.540 -2.938 -1.926 232 HE2 TYR 31 HE2 TYR 31 5.827 -5.539 1.239 233 HH TYR 31 HH TYR 31 7.243 -4.652 -0.548 234 H ASP 32 H ASP 32 -0.099 -6.004 -1.982 235 HA ASP 32 HA ASP 32 2.261 -6.922 -3.537 236 1HB ASP 32 2HB ASP 32 -0.068 -8.359 -3.336 237 2HB ASP 32 3HB ASP 32 -0.467 -7.306 -4.697 238 H ILE 33 H ILE 33 2.145 -6.154 -5.794 239 HA ILE 33 HA ILE 33 1.430 -3.229 -5.778 240 HB ILE 33 HB ILE 33 4.191 -4.172 -6.546 241 1HG1 ILE 33 2HG1 ILE 33 4.562 -2.762 -4.264 242 2HG1 ILE 33 3HG1 ILE 33 3.095 -3.603 -3.821 243 1HG2 ILE 33 1HG2 ILE 33 4.741 -1.809 -6.335 244 2HG2 ILE 33 2HG2 ILE 33 3.384 -1.994 -7.462 245 3HG2 ILE 33 3HG2 ILE 33 3.091 -1.434 -5.802 246 1HD1 ILE 33 1HD1 ILE 33 5.728 -4.815 -4.803 247 2HD1 ILE 33 2HD1 ILE 33 5.028 -4.979 -3.189 248 3HD1 ILE 33 3HD1 ILE 33 4.256 -5.782 -4.561 249 H ASP 34 H ASP 34 -0.051 -3.408 -7.330 250 HA ASP 34 HA ASP 34 0.529 -4.790 -9.899 251 1HB ASP 34 2HB ASP 34 -1.748 -4.953 -8.981 252 2HB ASP 34 3HB ASP 34 -1.835 -3.179 -8.950 253 H LEU 35 H LEU 35 2.417 -3.529 -10.211 254 HA LEU 35 HA LEU 35 2.385 -0.724 -10.078 255 1HB LEU 35 2HB LEU 35 4.341 -2.193 -9.660 256 2HB LEU 35 3HB LEU 35 4.487 -2.475 -11.393 257 HG LEU 35 HG LEU 35 4.944 -0.063 -11.756 258 1HD1 LEU 35 1HD1 LEU 35 3.752 1.015 -9.909 259 2HD1 LEU 35 2HD1 LEU 35 4.735 0.133 -8.714 260 3HD1 LEU 35 3HD1 LEU 35 5.472 1.368 -9.750 261 1HD2 LEU 35 1HD2 LEU 35 6.811 -1.640 -11.331 262 2HD2 LEU 35 2HD2 LEU 35 7.178 -0.027 -10.693 263 3HD2 LEU 35 3HD2 LEU 35 6.689 -1.321 -9.587 264 HA PRO 36 HA PRO 36 2.309 -0.378 -14.817 265 1HB PRO 36 2HB PRO 36 1.651 -2.383 -16.500 266 2HB PRO 36 3HB PRO 36 3.254 -2.309 -15.723 267 1HG PRO 36 2HG PRO 36 0.843 -3.894 -14.793 268 2HG PRO 36 3HG PRO 36 2.499 -4.505 -15.076 269 1HD PRO 36 2HD PRO 36 1.575 -3.761 -12.632 270 2HD PRO 36 3HD PRO 36 3.288 -3.509 -13.087 271 H ASN 37 H ASN 37 0.308 -0.192 -12.879 272 HA ASN 37 HA ASN 37 -2.158 0.394 -14.312 273 1HB ASN 37 2HB ASN 37 -1.962 -1.735 -12.152 274 2HB ASN 37 3HB ASN 37 -3.485 -0.940 -12.499 275 1HD2 ASN 37 1HD2 ASN 37 -1.531 -3.594 -13.298 276 2HD2 ASN 37 2HD2 ASN 37 -2.011 -3.835 -14.979 277 H LYS 38 H LYS 38 -0.651 -0.221 -11.153 278 HA LYS 38 HA LYS 38 0.189 1.184 -9.619 279 1HB LYS 38 2HB LYS 38 -1.582 3.451 -10.568 280 2HB LYS 38 3HB LYS 38 -0.293 3.458 -9.358 281 1HG LYS 38 2HG LYS 38 1.430 3.197 -10.961 282 2HG LYS 38 3HG LYS 38 0.288 2.902 -12.290 283 1HD LYS 38 2HD LYS 38 -0.635 5.101 -12.175 284 2HD LYS 38 3HD LYS 38 0.083 5.398 -10.593 285 1HE LYS 38 2HE LYS 38 2.366 5.352 -11.622 286 2HE LYS 38 3HE LYS 38 1.611 5.228 -13.219 287 1HZ LYS 38 1HZ LYS 38 1.226 7.482 -11.296 288 2HZ LYS 38 2HZ LYS 38 2.239 7.481 -12.512 289 3HZ LYS 38 3HZ LYS 38 0.610 7.398 -12.831 290 H LYS 39 H LYS 39 -1.372 -0.740 -9.058 291 HA LYS 39 HA LYS 39 -3.191 0.434 -7.002 292 1HB LYS 39 2HB LYS 39 -3.383 -2.456 -7.785 293 2HB LYS 39 3HB LYS 39 -4.498 -1.445 -6.892 294 1HG LYS 39 2HG LYS 39 -5.113 -0.285 -9.025 295 2HG LYS 39 3HG LYS 39 -3.887 -1.251 -9.874 296 1HD LYS 39 2HD LYS 39 -5.896 -2.386 -10.317 297 2HD LYS 39 3HD LYS 39 -5.023 -3.348 -9.131 298 1HE LYS 39 2HE LYS 39 -6.517 -2.117 -7.329 299 2HE LYS 39 3HE LYS 39 -7.473 -1.567 -8.708 300 1HZ LYS 39 1HZ LYS 39 -7.759 -4.018 -9.202 301 2HZ LYS 39 2HZ LYS 39 -7.046 -4.319 -7.720 302 3HZ LYS 39 3HZ LYS 39 -8.392 -3.520 -7.746 303 H VAL 40 H VAL 40 -2.645 -0.125 -4.857 304 HA VAL 40 HA VAL 40 -0.503 -2.135 -4.437 305 HB VAL 40 HB VAL 40 -1.273 0.451 -3.077 306 1HG1 VAL 40 1HG1 VAL 40 -0.181 -1.975 -1.658 307 2HG1 VAL 40 2HG1 VAL 40 -0.087 -0.306 -1.027 308 3HG1 VAL 40 3HG1 VAL 40 -1.669 -1.039 -1.337 309 1HG2 VAL 40 1HG2 VAL 40 1.401 -0.943 -3.543 310 2HG2 VAL 40 2HG2 VAL 40 0.706 0.293 -4.607 311 3HG2 VAL 40 3HG2 VAL 40 1.163 0.719 -2.944 312 H CYS 41 H CYS 41 -1.343 -3.888 -3.349 313 HA CYS 41 HA CYS 41 -4.148 -3.687 -2.295 314 1HB CYS 41 2HB CYS 41 -3.176 -5.873 -4.176 315 2HB CYS 41 3HB CYS 41 -4.723 -5.823 -3.297 316 HG CYS 41 HG CYS 41 -5.576 -5.049 -5.501 317 H ILE 42 H ILE 42 -4.111 -4.199 -0.221 318 HA ILE 42 HA ILE 42 -1.750 -5.673 0.827 319 HB ILE 42 HB ILE 42 -3.768 -4.027 2.335 320 1HG1 ILE 42 2HG1 ILE 42 -0.933 -3.310 1.435 321 2HG1 ILE 42 3HG1 ILE 42 -2.394 -2.666 0.687 322 1HG2 ILE 42 1HG2 ILE 42 -1.967 -4.195 4.127 323 2HG2 ILE 42 2HG2 ILE 42 -2.686 -5.742 3.719 324 3HG2 ILE 42 3HG2 ILE 42 -1.096 -5.306 3.068 325 1HD1 ILE 42 1HD1 ILE 42 -3.015 -1.616 2.864 326 2HD1 ILE 42 2HD1 ILE 42 -1.453 -2.149 3.507 327 3HD1 ILE 42 3HD1 ILE 42 -1.509 -1.023 2.146 328 H GLU 43 H GLU 43 -2.026 -7.639 1.910 329 HA GLU 43 HA GLU 43 -4.786 -8.621 2.420 330 1HB GLU 43 2HB GLU 43 -4.126 -9.326 0.151 331 2HB GLU 43 3HB GLU 43 -2.681 -10.110 0.780 332 1HG GLU 43 2HG GLU 43 -3.862 -11.885 1.686 333 2HG GLU 43 3HG GLU 43 -5.336 -10.960 1.945 334 H SER 44 H SER 44 -4.361 -8.306 4.624 335 HA SER 44 HA SER 44 -2.754 -10.281 5.953 336 1HB SER 44 2HB SER 44 -1.829 -7.382 5.946 337 2HB SER 44 3HB SER 44 -1.342 -8.535 7.196 338 HG SER 44 HG SER 44 -0.993 -9.247 4.502 339 H GLU 45 H GLU 45 -3.247 -10.330 8.208 340 HA GLU 45 HA GLU 45 -5.761 -9.181 9.006 341 1HB GLU 45 2HB GLU 45 -3.609 -10.667 10.575 342 2HB GLU 45 3HB GLU 45 -5.248 -10.317 11.140 343 1HG GLU 45 2HG GLU 45 -6.203 -11.648 9.294 344 2HG GLU 45 3HG GLU 45 -4.580 -12.016 8.681 345 H HIS 46 H HIS 46 -4.942 -6.927 8.419 346 HA HIS 46 HA HIS 46 -4.024 -5.552 10.909 347 1HB HIS 46 2HB HIS 46 -3.227 -5.000 8.027 348 2HB HIS 46 3HB HIS 46 -2.833 -3.956 9.401 349 HD1 HIS 46 1HD HIS 46 -2.021 -6.642 11.267 350 HD2 HIS 46 2HD HIS 46 -0.650 -5.461 7.481 351 HE1 HIS 46 1HE HIS 46 0.404 -7.436 11.084 352 H SER 47 H SER 47 -5.105 -3.629 11.324 353 HA SER 47 HA SER 47 -7.724 -3.395 10.176 354 1HB SER 47 2HB SER 47 -7.251 -2.755 12.505 355 2HB SER 47 3HB SER 47 -6.231 -1.422 11.932 356 HG SER 47 HG SER 47 -8.345 -0.703 12.347 357 H MET 48 H MET 48 -8.554 -1.870 8.874 358 HA MET 48 HA MET 48 -7.064 -1.147 6.570 359 1HB MET 48 2HB MET 48 -9.703 0.139 7.384 360 2HB MET 48 3HB MET 48 -9.079 -0.189 5.760 361 1HG MET 48 2HG MET 48 -9.219 -2.680 6.366 362 2HG MET 48 3HG MET 48 -10.085 -2.183 7.826 363 1HE MET 48 1HE MET 48 -11.340 -4.347 6.320 364 2HE MET 48 2HE MET 48 -12.106 -3.505 7.684 365 3HE MET 48 3HE MET 48 -13.020 -3.781 6.194 366 H ASP 49 H ASP 49 -8.279 0.692 9.316 367 HA ASP 49 HA ASP 49 -7.328 3.306 8.965 368 1HB ASP 49 2HB ASP 49 -8.558 2.945 10.945 369 2HB ASP 49 3HB ASP 49 -7.716 1.437 11.323 370 H THR 50 H THR 50 -5.704 0.710 10.616 371 HA THR 50 HA THR 50 -3.348 2.081 11.051 372 HB THR 50 HB THR 50 -3.725 -0.931 10.974 373 HG1 THR 50 1HG THR 50 -4.853 1.071 12.542 374 1HG2 THR 50 1HG2 THR 50 -1.388 -0.234 11.389 375 2HG2 THR 50 2HG2 THR 50 -1.933 0.834 12.704 376 3HG2 THR 50 3HG2 THR 50 -2.121 -0.928 12.846 377 H LEU 51 H LEU 51 -4.122 -0.204 8.385 378 HA LEU 51 HA LEU 51 -1.529 -0.084 7.129 379 1HB LEU 51 2HB LEU 51 -4.272 -0.355 5.835 380 2HB LEU 51 3HB LEU 51 -2.700 -0.594 5.038 381 HG LEU 51 HG LEU 51 -3.681 -2.174 7.479 382 1HD1 LEU 51 1HD1 LEU 51 -3.850 -2.929 4.551 383 2HD1 LEU 51 2HD1 LEU 51 -4.162 -4.025 5.915 384 3HD1 LEU 51 3HD1 LEU 51 -5.192 -2.610 5.658 385 1HD2 LEU 51 1HD2 LEU 51 -1.882 -3.799 6.592 386 2HD2 LEU 51 2HD2 LEU 51 -1.246 -2.417 5.696 387 3HD2 LEU 51 3HD2 LEU 51 -1.339 -2.359 7.462 388 H LEU 52 H LEU 52 -4.508 1.897 6.659 389 HA LEU 52 HA LEU 52 -3.399 3.655 4.763 390 1HB LEU 52 2HB LEU 52 -5.683 3.725 6.640 391 2HB LEU 52 3HB LEU 52 -5.129 5.311 6.118 392 HG LEU 52 HG LEU 52 -5.705 3.004 4.243 393 1HD1 LEU 52 1HD1 LEU 52 -7.940 4.015 3.855 394 2HD1 LEU 52 2HD1 LEU 52 -7.742 3.451 5.522 395 3HD1 LEU 52 3HD1 LEU 52 -7.625 5.186 5.154 396 1HD2 LEU 52 1HD2 LEU 52 -6.000 4.775 2.533 397 2HD2 LEU 52 2HD2 LEU 52 -5.669 6.024 3.746 398 3HD2 LEU 52 3HD2 LEU 52 -4.388 4.905 3.244 399 H ALA 53 H ALA 53 -3.448 4.066 8.330 400 HA ALA 53 HA ALA 53 -1.895 6.418 8.475 401 1HB ALA 53 1HB ALA 53 -2.050 4.110 10.463 402 2HB ALA 53 2HB ALA 53 -1.525 5.767 10.819 403 3HB ALA 53 3HB ALA 53 -3.211 5.450 10.362 404 H THR 54 H THR 54 -0.788 3.015 8.382 405 HA THR 54 HA THR 54 1.965 3.611 8.597 406 HB THR 54 HB THR 54 0.559 1.413 7.002 407 HG1 THR 54 1HG THR 54 0.090 1.359 9.182 408 1HG2 THR 54 1HG2 THR 54 2.961 1.781 6.302 409 2HG2 THR 54 2HG2 THR 54 3.416 1.407 7.982 410 3HG2 THR 54 3HG2 THR 54 2.552 0.219 6.967 411 H LEU 55 H LEU 55 0.036 3.109 5.578 412 HA LEU 55 HA LEU 55 2.347 3.580 3.991 413 1HB LEU 55 2HB LEU 55 1.003 2.886 2.211 414 2HB LEU 55 3HB LEU 55 0.671 1.915 3.607 415 HG LEU 55 HG LEU 55 -1.345 3.591 3.934 416 1HD1 LEU 55 1HD1 LEU 55 -0.469 4.983 2.039 417 2HD1 LEU 55 2HD1 LEU 55 -0.744 3.620 0.969 418 3HD1 LEU 55 3HD1 LEU 55 -2.139 4.420 1.764 419 1HD2 LEU 55 1HD2 LEU 55 -1.238 1.421 1.792 420 2HD2 LEU 55 2HD2 LEU 55 -1.519 1.148 3.523 421 3HD2 LEU 55 3HD2 LEU 55 -2.722 2.033 2.561 422 H LYS 56 H LYS 56 -0.474 5.496 4.699 423 HA LYS 56 HA LYS 56 -0.521 7.693 3.166 424 1HB LYS 56 2HB LYS 56 -0.704 7.328 6.152 425 2HB LYS 56 3HB LYS 56 -0.607 8.972 5.594 426 1HG LYS 56 2HG LYS 56 -2.552 8.784 4.192 427 2HG LYS 56 3HG LYS 56 -2.704 7.049 4.535 428 1HD LYS 56 2HD LYS 56 -2.977 7.506 6.918 429 2HD LYS 56 3HD LYS 56 -2.707 9.237 6.668 430 1HE LYS 56 2HE LYS 56 -4.793 9.398 5.341 431 2HE LYS 56 3HE LYS 56 -5.036 7.649 5.461 432 1HZ LYS 56 1HZ LYS 56 -6.381 8.831 7.036 433 2HZ LYS 56 2HZ LYS 56 -5.296 7.898 7.837 434 3HZ LYS 56 3HZ LYS 56 -5.068 9.525 7.734 435 H LYS 57 H LYS 57 1.972 7.119 5.591 436 HA LYS 57 HA LYS 57 3.161 9.654 5.661 437 1HB LYS 57 2HB LYS 57 4.298 6.899 6.157 438 2HB LYS 57 3HB LYS 57 5.102 8.425 6.623 439 1HG LYS 57 2HG LYS 57 2.876 8.940 7.891 440 2HG LYS 57 3HG LYS 57 2.492 7.251 7.681 441 1HD LYS 57 2HD LYS 57 4.912 8.475 9.103 442 2HD LYS 57 3HD LYS 57 3.543 7.673 9.873 443 1HE LYS 57 2HE LYS 57 5.687 6.383 8.106 444 2HE LYS 57 3HE LYS 57 5.469 6.177 9.847 445 1HZ LYS 57 1HZ LYS 57 4.542 4.329 8.684 446 2HZ LYS 57 2HZ LYS 57 3.302 5.185 9.355 447 3HZ LYS 57 3HZ LYS 57 3.595 5.283 7.744 448 H THR 58 H THR 58 3.339 7.406 2.951 449 HA THR 58 HA THR 58 5.850 8.337 1.896 450 HB THR 58 HB THR 58 4.844 7.653 -0.300 451 HG1 THR 58 1HG THR 58 2.654 8.062 0.142 452 1HG2 THR 58 1HG2 THR 58 4.563 5.719 2.020 453 2HG2 THR 58 2HG2 THR 58 4.680 5.256 0.306 454 3HG2 THR 58 3HG2 THR 58 6.051 6.060 1.112 455 H GLY 59 H GLY 59 2.710 9.864 2.222 456 1HA GLY 59 2HA GLY 59 2.059 11.983 1.766 457 2HA GLY 59 3HA GLY 59 3.766 12.379 1.450 458 H LYS 60 H LYS 60 1.552 10.087 -0.187 459 HA LYS 60 HA LYS 60 1.719 11.606 -2.735 460 1HB LYS 60 2HB LYS 60 2.337 8.707 -2.048 461 2HB LYS 60 3HB LYS 60 1.818 9.111 -3.661 462 1HG LYS 60 2HG LYS 60 4.213 10.368 -2.206 463 2HG LYS 60 3HG LYS 60 4.304 8.997 -3.290 464 1HD LYS 60 2HD LYS 60 3.476 11.857 -4.011 465 2HD LYS 60 3HD LYS 60 4.993 11.061 -4.416 466 1HE LYS 60 2HE LYS 60 3.814 9.421 -5.840 467 2HE LYS 60 3HE LYS 60 2.248 10.164 -5.457 468 1HZ LYS 60 1HZ LYS 60 2.942 12.155 -6.529 469 2HZ LYS 60 2HZ LYS 60 4.384 11.471 -6.963 470 3HZ LYS 60 3HZ LYS 60 2.963 10.870 -7.529 471 H THR 61 H THR 61 0.059 11.078 -4.267 472 HA THR 61 HA THR 61 -2.533 10.726 -3.293 473 HB THR 61 HB THR 61 -1.550 10.242 -6.091 474 HG1 THR 61 1HG THR 61 -1.688 12.789 -4.865 475 1HG2 THR 61 1HG2 THR 61 -3.514 11.624 -6.700 476 2HG2 THR 61 2HG2 THR 61 -3.997 10.246 -5.688 477 3HG2 THR 61 3HG2 THR 61 -3.876 11.872 -4.975 478 H VAL 62 H VAL 62 -1.865 8.744 -2.074 479 HA VAL 62 HA VAL 62 -2.793 6.353 -3.607 480 HB VAL 62 HB VAL 62 -0.858 5.668 -2.514 481 1HG1 VAL 62 1HG1 VAL 62 -0.454 7.475 -0.943 482 2HG1 VAL 62 2HG1 VAL 62 -1.844 6.976 0.050 483 3HG1 VAL 62 3HG1 VAL 62 -0.413 5.931 -0.109 484 1HG2 VAL 62 1HG2 VAL 62 -1.631 3.906 -1.120 485 2HG2 VAL 62 2HG2 VAL 62 -3.055 4.825 -0.589 486 3HG2 VAL 62 3HG2 VAL 62 -2.946 4.228 -2.254 487 H SER 63 H SER 63 -4.765 5.440 -3.059 488 HA SER 63 HA SER 63 -6.333 6.618 -0.851 489 1HB SER 63 2HB SER 63 -7.203 6.741 -3.779 490 2HB SER 63 3HB SER 63 -8.194 7.201 -2.380 491 HG SER 63 HG SER 63 -5.887 8.483 -2.142 492 H TYR 64 H TYR 64 -8.283 5.328 -0.472 493 HA TYR 64 HA TYR 64 -7.696 2.458 -0.897 494 1HB TYR 64 2HB TYR 64 -7.760 3.144 1.393 495 2HB TYR 64 3HB TYR 64 -9.205 4.109 1.139 496 HD1 TYR 64 HD1 TYR 64 -8.151 0.503 0.674 497 HD2 TYR 64 HD2 TYR 64 -11.235 3.272 1.874 498 HE1 TYR 64 HE1 TYR 64 -9.763 -1.356 0.857 499 HE2 TYR 64 HE2 TYR 64 -12.834 1.411 2.063 500 HH TYR 64 HH TYR 64 -13.199 -0.832 1.684 501 H LEU 65 H LEU 65 -9.040 1.148 -2.084 502 HA LEU 65 HA LEU 65 -11.874 1.732 -2.362 503 1HB LEU 65 2HB LEU 65 -11.647 1.472 -4.910 504 2HB LEU 65 3HB LEU 65 -11.506 3.036 -4.132 505 HG LEU 65 HG LEU 65 -9.965 2.661 -5.954 506 1HD1 LEU 65 1HD1 LEU 65 -8.262 3.089 -3.609 507 2HD1 LEU 65 2HD1 LEU 65 -8.259 3.918 -5.161 508 3HD1 LEU 65 3HD1 LEU 65 -9.553 4.247 -4.008 509 1HD2 LEU 65 1HD2 LEU 65 -8.507 0.629 -4.284 510 2HD2 LEU 65 2HD2 LEU 65 -9.384 0.342 -5.806 511 3HD2 LEU 65 3HD2 LEU 65 -7.938 1.336 -5.801 512 H GLY 66 H GLY 66 -11.692 -0.394 -1.100 513 1HA GLY 66 2HA GLY 66 -13.294 -2.069 -2.180 514 2HA GLY 66 3HA GLY 66 -11.897 -2.616 -3.114 515 H LEU 67 H LEU 67 -13.666 -3.733 -0.711 516 HA LEU 67 HA LEU 67 -11.437 -4.676 1.000 517 1HB LEU 67 2HB LEU 67 -12.766 -3.381 2.406 518 2HB LEU 67 3HB LEU 67 -14.238 -3.684 1.475 519 HG LEU 67 HG LEU 67 -14.336 -5.970 2.304 520 1HD1 LEU 67 1HD1 LEU 67 -12.035 -5.096 4.128 521 2HD1 LEU 67 2HD1 LEU 67 -12.946 -6.611 4.290 522 3HD1 LEU 67 3HD1 LEU 67 -11.919 -6.343 2.877 523 1HD2 LEU 67 1HD2 LEU 67 -15.657 -4.275 3.362 524 2HD2 LEU 67 2HD2 LEU 67 -15.012 -5.323 4.639 525 3HD2 LEU 67 3HD2 LEU 67 -14.289 -3.723 4.340 526 H GLU 68 H GLU 68 -11.059 -6.778 0.483 527 HA GLU 68 HA GLU 68 -13.155 -8.586 0.796 528 1HB GLU 68 2HB GLU 68 -13.301 -8.184 -1.611 529 2HB GLU 68 3HB GLU 68 -11.659 -8.756 -1.863 530 1HG GLU 68 2HG GLU 68 -13.571 -10.450 -2.338 531 2HG GLU 68 3HG GLU 68 -12.200 -11.015 -1.389 Start of MODEL 16 1 1H MET 1 H1 MET 1 -5.873 -8.286 7.753 2 2H MET 1 H2 MET 1 -6.359 -7.343 9.010 3 3H MET 1 H3 MET 1 -6.544 -9.012 9.070 4 HA MET 1 HA MET 1 -8.637 -8.556 8.395 5 1HB MET 1 2HB MET 1 -7.288 -6.083 7.266 6 2HB MET 1 3HB MET 1 -8.908 -6.506 6.718 7 1HG MET 1 2HG MET 1 -8.136 -6.029 9.620 8 2HG MET 1 3HG MET 1 -8.902 -4.857 8.539 9 1HE MET 1 1HE MET 1 -10.731 -4.377 10.332 10 2HE MET 1 2HE MET 1 -11.718 -5.644 11.098 11 3HE MET 1 3HE MET 1 -9.971 -5.559 11.427 12 HA PRO 2 HA PRO 2 -8.033 -10.578 4.377 13 1HB PRO 2 2HB PRO 2 -10.459 -10.391 3.178 14 2HB PRO 2 3HB PRO 2 -10.230 -11.299 4.674 15 1HG PRO 2 2HG PRO 2 -11.154 -8.418 4.455 16 2HG PRO 2 3HG PRO 2 -12.011 -9.769 5.253 17 1HD PRO 2 2HD PRO 2 -10.387 -8.151 6.711 18 2HD PRO 2 3HD PRO 2 -10.357 -9.909 6.978 19 H LYS 3 H LYS 3 -9.411 -9.338 1.833 20 HA LYS 3 HA LYS 3 -6.914 -7.882 1.492 21 1HB LYS 3 2HB LYS 3 -7.599 -9.707 -0.002 22 2HB LYS 3 3HB LYS 3 -8.930 -8.715 -0.618 23 1HG LYS 3 2HG LYS 3 -7.484 -7.213 -1.703 24 2HG LYS 3 3HG LYS 3 -6.162 -7.523 -0.573 25 1HD LYS 3 2HD LYS 3 -5.888 -9.822 -1.561 26 2HD LYS 3 3HD LYS 3 -7.056 -9.357 -2.821 27 1HE LYS 3 2HE LYS 3 -5.657 -7.487 -3.498 28 2HE LYS 3 3HE LYS 3 -4.541 -7.726 -2.139 29 1HZ LYS 3 1HZ LYS 3 -4.793 -9.445 -4.496 30 2HZ LYS 3 2HZ LYS 3 -3.476 -8.606 -3.951 31 3HZ LYS 3 3HZ LYS 3 -3.961 -9.880 -3.131 32 H HIS 4 H HIS 4 -6.677 -5.779 0.813 33 HA HIS 4 HA HIS 4 -9.067 -4.039 0.421 34 1HB HIS 4 2HB HIS 4 -6.481 -2.914 1.427 35 2HB HIS 4 3HB HIS 4 -8.137 -2.389 1.730 36 HD1 HIS 4 1HD HIS 4 -5.597 -5.076 2.866 37 HD2 HIS 4 2HD HIS 4 -9.257 -3.356 3.970 38 HE1 HIS 4 1HE HIS 4 -5.985 -5.720 5.301 39 H GLU 5 H GLU 5 -8.915 -2.755 -1.505 40 HA GLU 5 HA GLU 5 -6.406 -2.935 -3.117 41 1HB GLU 5 2HB GLU 5 -9.358 -2.650 -3.727 42 2HB GLU 5 3HB GLU 5 -8.148 -2.308 -4.944 43 1HG GLU 5 2HG GLU 5 -8.145 -4.966 -3.416 44 2HG GLU 5 3HG GLU 5 -9.231 -4.672 -4.761 45 H PHE 6 H PHE 6 -5.357 -1.041 -3.614 46 HA PHE 6 HA PHE 6 -6.688 1.558 -3.034 47 1HB PHE 6 2HB PHE 6 -3.751 0.874 -2.605 48 2HB PHE 6 3HB PHE 6 -4.547 2.345 -2.092 49 HD1 PHE 6 1HD PHE 6 -2.627 0.740 -0.484 50 HD2 PHE 6 2HD PHE 6 -6.925 0.641 -0.643 51 HE1 PHE 6 1HE PHE 6 -2.709 -0.153 1.815 52 HE2 PHE 6 2HE PHE 6 -7.002 -0.159 1.678 53 HZ PHE 6 HZ PHE 6 -4.891 -0.606 2.913 54 H SER 7 H SER 7 -6.254 3.185 -4.477 55 HA SER 7 HA SER 7 -4.624 2.543 -6.900 56 1HB SER 7 2HB SER 7 -6.851 3.623 -7.239 57 2HB SER 7 3HB SER 7 -6.250 5.042 -6.329 58 HG SER 7 HG SER 7 -5.980 5.207 -8.633 59 H VAL 8 H VAL 8 -2.744 3.774 -7.358 60 HA VAL 8 HA VAL 8 -1.579 5.454 -5.223 61 HB VAL 8 HB VAL 8 -0.351 2.911 -6.434 62 1HG1 VAL 8 1HG1 VAL 8 0.664 5.008 -4.505 63 2HG1 VAL 8 2HG1 VAL 8 1.415 3.398 -4.696 64 3HG1 VAL 8 3HG1 VAL 8 1.340 4.489 -6.076 65 1HG2 VAL 8 1HG2 VAL 8 -0.392 2.244 -3.941 66 2HG2 VAL 8 2HG2 VAL 8 -1.444 3.617 -3.645 67 3HG2 VAL 8 3HG2 VAL 8 -1.996 2.285 -4.683 68 H ASP 9 H ASP 9 -1.695 7.290 -6.665 69 HA ASP 9 HA ASP 9 -0.470 6.920 -9.294 70 1HB ASP 9 2HB ASP 9 -2.341 8.641 -8.739 71 2HB ASP 9 3HB ASP 9 -0.982 9.715 -8.358 72 H MET 10 H MET 10 1.451 5.953 -8.320 73 HA MET 10 HA MET 10 3.556 7.872 -8.724 74 1HB MET 10 2HB MET 10 4.889 7.251 -6.703 75 2HB MET 10 3HB MET 10 3.492 8.258 -6.392 76 1HG MET 10 2HG MET 10 2.233 6.438 -5.487 77 2HG MET 10 3HG MET 10 3.487 5.265 -5.900 78 1HE MET 10 1HE MET 10 3.199 4.484 -3.331 79 2HE MET 10 2HE MET 10 3.596 5.517 -1.937 80 3HE MET 10 3HE MET 10 2.128 5.839 -2.882 81 H THR 11 H THR 11 4.917 6.882 -10.110 82 HA THR 11 HA THR 11 5.347 3.961 -10.001 83 HB THR 11 HB THR 11 4.071 5.270 -12.442 84 HG1 THR 11 1HG THR 11 2.916 4.053 -10.184 85 1HG2 THR 11 1HG2 THR 11 5.347 3.157 -12.835 86 2HG2 THR 11 2HG2 THR 11 4.352 2.353 -11.597 87 3HG2 THR 11 3HG2 THR 11 3.604 2.956 -13.087 88 H CYS 12 H CYS 12 7.534 4.718 -9.592 89 HA CYS 12 HA CYS 12 9.033 5.101 -12.110 90 1HB CYS 12 2HB CYS 12 8.934 7.120 -9.857 91 2HB CYS 12 3HB CYS 12 10.478 6.843 -10.680 92 HG CYS 12 HG CYS 12 7.658 7.426 -12.243 93 H GLY 13 H GLY 13 8.614 2.789 -10.785 94 1HA GLY 13 2HA GLY 13 9.770 0.970 -10.039 95 2HA GLY 13 3HA GLY 13 11.269 1.892 -10.227 96 H GLY 14 H GLY 14 11.651 3.566 -8.463 97 1HA GLY 14 2HA GLY 14 11.943 2.224 -5.988 98 2HA GLY 14 3HA GLY 14 12.217 3.956 -6.265 99 H CYS 15 H CYS 15 9.249 4.083 -7.195 100 HA CYS 15 HA CYS 15 7.945 4.827 -4.795 101 1HB CYS 15 2HB CYS 15 6.666 3.748 -7.337 102 2HB CYS 15 3HB CYS 15 5.883 4.674 -6.036 103 HG CYS 15 HG CYS 15 6.202 6.287 -7.997 104 H ALA 16 H ALA 16 8.194 1.655 -6.468 105 HA ALA 16 HA ALA 16 6.365 0.318 -4.684 106 1HB ALA 16 1HB ALA 16 7.234 -1.744 -5.714 107 2HB ALA 16 2HB ALA 16 6.846 -0.529 -6.947 108 3HB ALA 16 3HB ALA 16 8.542 -0.829 -6.494 109 H GLU 17 H GLU 17 9.923 0.784 -4.732 110 HA GLU 17 HA GLU 17 10.473 -0.762 -2.389 111 1HB GLU 17 2HB GLU 17 11.850 1.685 -3.587 112 2HB GLU 17 3HB GLU 17 12.252 1.051 -2.013 113 1HG GLU 17 2HG GLU 17 12.585 -1.241 -3.151 114 2HG GLU 17 3HG GLU 17 12.600 -0.322 -4.670 115 H ALA 18 H ALA 18 9.469 2.678 -2.788 116 HA ALA 18 HA ALA 18 9.627 3.377 -0.066 117 1HB ALA 18 1HB ALA 18 9.241 5.002 -1.917 118 2HB ALA 18 2HB ALA 18 7.562 4.429 -2.047 119 3HB ALA 18 3HB ALA 18 8.113 5.203 -0.560 120 H VAL 19 H VAL 19 6.792 2.134 -1.894 121 HA VAL 19 HA VAL 19 5.065 1.925 0.338 122 HB VAL 19 HB VAL 19 5.103 0.233 -2.186 123 1HG1 VAL 19 1HG1 VAL 19 3.803 -0.854 -0.324 124 2HG1 VAL 19 2HG1 VAL 19 2.918 0.668 -0.090 125 3HG1 VAL 19 3HG1 VAL 19 2.749 -0.258 -1.595 126 1HG2 VAL 19 1HG2 VAL 19 4.778 2.692 -2.578 127 2HG2 VAL 19 2HG2 VAL 19 3.318 1.759 -2.923 128 3HG2 VAL 19 3HG2 VAL 19 3.446 2.682 -1.411 129 H SER 20 H SER 20 7.086 -0.657 -1.187 130 HA SER 20 HA SER 20 6.423 -2.696 0.593 131 1HB SER 20 2HB SER 20 7.676 -3.111 -1.481 132 2HB SER 20 3HB SER 20 9.007 -2.080 -0.946 133 HG SER 20 HG SER 20 8.303 -4.476 0.400 134 H ARG 21 H ARG 21 9.074 -0.352 0.920 135 HA ARG 21 HA ARG 21 10.084 -1.396 3.352 136 1HB ARG 21 2HB ARG 21 10.395 1.299 1.984 137 2HB ARG 21 3HB ARG 21 11.331 0.790 3.402 138 1HG ARG 21 2HG ARG 21 12.295 -1.087 2.222 139 2HG ARG 21 3HG ARG 21 11.200 -0.924 0.875 140 1HD ARG 21 2HD ARG 21 13.255 -0.163 0.111 141 2HD ARG 21 3HD ARG 21 12.197 1.253 0.257 142 HE ARG 21 HE ARG 21 13.502 1.264 2.642 143 1HH1 ARG 21 2HH2 ARG 21 14.778 1.012 -0.721 144 2HH1 ARG 21 1HH2 ARG 21 16.117 2.034 -0.409 145 1HH2 ARG 21 2HH1 ARG 21 15.378 2.552 3.034 146 2HH2 ARG 21 1HH1 ARG 21 16.511 2.858 1.759 147 H VAL 22 H VAL 22 7.839 1.526 2.820 148 HA VAL 22 HA VAL 22 7.644 2.004 5.565 149 HB VAL 22 HB VAL 22 7.097 3.517 3.598 150 1HG1 VAL 22 1HG1 VAL 22 4.353 2.257 3.888 151 2HG1 VAL 22 2HG1 VAL 22 4.790 3.619 2.843 152 3HG1 VAL 22 3HG1 VAL 22 5.435 2.016 2.500 153 1HG2 VAL 22 1HG2 VAL 22 6.724 4.125 5.901 154 2HG2 VAL 22 2HG2 VAL 22 5.403 4.732 4.860 155 3HG2 VAL 22 3HG2 VAL 22 5.132 3.302 5.882 156 H LEU 23 H LEU 23 5.563 -0.054 3.401 157 HA LEU 23 HA LEU 23 3.798 -0.871 5.424 158 1HB LEU 23 2HB LEU 23 4.663 -2.058 2.776 159 2HB LEU 23 3HB LEU 23 3.663 -2.949 3.909 160 HG LEU 23 HG LEU 23 2.361 -1.862 2.135 161 1HD1 LEU 23 1HD1 LEU 23 1.311 -2.635 4.192 162 2HD1 LEU 23 2HD1 LEU 23 1.740 -1.123 5.026 163 3HD1 LEU 23 3HD1 LEU 23 0.582 -1.096 3.697 164 1HD2 LEU 23 1HD2 LEU 23 1.804 0.483 2.358 165 2HD2 LEU 23 2HD2 LEU 23 2.889 0.618 3.766 166 3HD2 LEU 23 3HD2 LEU 23 3.553 0.325 2.144 167 H ASN 24 H ASN 24 6.875 -2.418 4.335 168 HA ASN 24 HA ASN 24 6.878 -4.588 6.139 169 1HB ASN 24 2HB ASN 24 8.535 -4.585 4.469 170 2HB ASN 24 3HB ASN 24 9.019 -2.927 4.811 171 1HD2 ASN 24 1HD2 ASN 24 10.221 -2.415 6.624 172 2HD2 ASN 24 2HD2 ASN 24 11.248 -3.637 7.404 173 H LYS 25 H LYS 25 7.973 -1.227 6.592 174 HA LYS 25 HA LYS 25 8.982 -1.445 9.200 175 1HB LYS 25 2HB LYS 25 8.063 0.740 7.393 176 2HB LYS 25 3HB LYS 25 7.851 1.117 9.092 177 1HG LYS 25 2HG LYS 25 10.458 0.031 7.973 178 2HG LYS 25 3HG LYS 25 10.073 1.760 7.998 179 1HD LYS 25 2HD LYS 25 9.767 1.780 10.400 180 2HD LYS 25 3HD LYS 25 10.024 0.047 10.544 181 1HE LYS 25 2HE LYS 25 12.099 2.034 9.491 182 2HE LYS 25 3HE LYS 25 11.994 1.504 11.177 183 1HZ LYS 25 1HZ LYS 25 12.516 -0.266 8.884 184 2HZ LYS 25 2HZ LYS 25 13.617 0.238 9.995 185 3HZ LYS 25 3HZ LYS 25 12.385 -0.746 10.453 186 H LEU 26 H LEU 26 5.615 -1.294 8.144 187 HA LEU 26 HA LEU 26 4.507 -0.622 10.671 188 1HB LEU 26 2HB LEU 26 3.428 -0.680 8.342 189 2HB LEU 26 3HB LEU 26 3.232 -2.405 8.532 190 HG LEU 26 HG LEU 26 1.327 -0.762 9.018 191 1HD1 LEU 26 1HD1 LEU 26 0.243 -2.282 10.536 192 2HD1 LEU 26 2HD1 LEU 26 1.162 -3.184 9.318 193 3HD1 LEU 26 3HD1 LEU 26 1.799 -3.022 10.973 194 1HD2 LEU 26 1HD2 LEU 26 1.017 0.014 11.281 195 2HD2 LEU 26 2HD2 LEU 26 2.491 -0.787 11.835 196 3HD2 LEU 26 3HD2 LEU 26 2.590 0.611 10.744 197 H GLY 27 H GLY 27 5.488 -3.686 9.183 198 1HA GLY 27 2HA GLY 27 5.968 -4.976 11.631 199 2HA GLY 27 3HA GLY 27 4.289 -5.360 11.208 200 H GLY 28 H GLY 28 3.859 -6.740 9.428 201 1HA GLY 28 2HA GLY 28 6.064 -7.955 7.886 202 2HA GLY 28 3HA GLY 28 5.302 -8.992 9.113 203 H VAL 29 H VAL 29 4.045 -6.458 7.027 204 HA VAL 29 HA VAL 29 1.571 -7.887 6.606 205 HB VAL 29 HB VAL 29 1.301 -5.629 7.049 206 1HG1 VAL 29 1HG1 VAL 29 3.429 -4.682 6.905 207 2HG1 VAL 29 2HG1 VAL 29 3.566 -5.019 5.165 208 3HG1 VAL 29 3HG1 VAL 29 2.434 -3.789 5.779 209 1HG2 VAL 29 1HG2 VAL 29 -0.083 -6.329 5.117 210 2HG2 VAL 29 2HG2 VAL 29 0.289 -4.607 5.126 211 3HG2 VAL 29 3HG2 VAL 29 1.149 -5.679 4.015 212 H LYS 30 H LYS 30 0.956 -9.088 4.886 213 HA LYS 30 HA LYS 30 2.571 -9.262 2.455 214 1HB LYS 30 2HB LYS 30 1.568 -11.257 3.025 215 2HB LYS 30 3HB LYS 30 0.042 -10.508 3.454 216 1HG LYS 30 2HG LYS 30 -0.219 -11.794 1.409 217 2HG LYS 30 3HG LYS 30 -0.563 -10.120 1.142 218 1HD LYS 30 2HD LYS 30 0.727 -11.053 -0.740 219 2HD LYS 30 3HD LYS 30 1.593 -9.738 0.001 220 1HE LYS 30 2HE LYS 30 3.074 -11.637 -0.535 221 2HE LYS 30 3HE LYS 30 3.095 -11.239 1.186 222 1HZ LYS 30 1HZ LYS 30 2.936 -13.607 0.815 223 2HZ LYS 30 2HZ LYS 30 1.587 -13.057 1.578 224 3HZ LYS 30 3HZ LYS 30 1.532 -13.427 -0.026 225 H TYR 31 H TYR 31 2.609 -7.641 1.187 226 HA TYR 31 HA TYR 31 0.149 -6.232 0.275 227 1HB TYR 31 2HB TYR 31 1.835 -4.423 -0.403 228 2HB TYR 31 3HB TYR 31 1.398 -4.563 1.291 229 HD1 TYR 31 HD1 TYR 31 3.016 -4.828 2.942 230 HD2 TYR 31 HD2 TYR 31 4.087 -5.741 -1.110 231 HE1 TYR 31 HE1 TYR 31 5.421 -4.808 3.578 232 HE2 TYR 31 HE2 TYR 31 6.473 -5.803 -0.473 233 HH TYR 31 HH TYR 31 7.548 -4.385 2.532 234 H ASP 32 H ASP 32 0.002 -5.827 -1.907 235 HA ASP 32 HA ASP 32 1.862 -7.125 -3.831 236 1HB ASP 32 2HB ASP 32 -1.120 -6.510 -3.941 237 2HB ASP 32 3HB ASP 32 -0.208 -7.095 -5.306 238 H ILE 33 H ILE 33 2.677 -5.543 -5.291 239 HA ILE 33 HA ILE 33 1.462 -2.813 -5.253 240 HB ILE 33 HB ILE 33 4.419 -3.367 -5.599 241 1HG1 ILE 33 2HG1 ILE 33 4.263 -1.809 -3.374 242 2HG1 ILE 33 3HG1 ILE 33 2.804 -2.768 -3.128 243 1HG2 ILE 33 1HG2 ILE 33 2.847 -0.772 -5.272 244 2HG2 ILE 33 2HG2 ILE 33 4.596 -0.937 -5.497 245 3HG2 ILE 33 3HG2 ILE 33 3.496 -1.381 -6.800 246 1HD1 ILE 33 1HD1 ILE 33 5.607 -3.872 -3.640 247 2HD1 ILE 33 2HD1 ILE 33 4.834 -3.714 -2.057 248 3HD1 ILE 33 3HD1 ILE 33 4.164 -4.843 -3.260 249 H ASP 34 H ASP 34 0.699 -2.308 -7.218 250 HA ASP 34 HA ASP 34 1.658 -3.813 -9.615 251 1HB ASP 34 2HB ASP 34 -0.733 -4.097 -9.035 252 2HB ASP 34 3HB ASP 34 -0.943 -2.339 -9.167 253 H LEU 35 H LEU 35 3.127 -2.643 -10.643 254 HA LEU 35 HA LEU 35 3.343 0.248 -10.400 255 1HB LEU 35 2HB LEU 35 4.836 -1.837 -12.028 256 2HB LEU 35 3HB LEU 35 5.098 -0.113 -12.251 257 HG LEU 35 HG LEU 35 6.796 -1.174 -10.896 258 1HD1 LEU 35 1HD1 LEU 35 6.954 0.445 -9.119 259 2HD1 LEU 35 2HD1 LEU 35 6.280 1.225 -10.554 260 3HD1 LEU 35 3HD1 LEU 35 5.216 0.793 -9.195 261 1HD2 LEU 35 1HD2 LEU 35 6.442 -2.060 -8.701 262 2HD2 LEU 35 2HD2 LEU 35 4.719 -1.651 -8.737 263 3HD2 LEU 35 3HD2 LEU 35 5.362 -2.910 -9.814 264 HA PRO 36 HA PRO 36 2.209 0.292 -15.059 265 1HB PRO 36 2HB PRO 36 0.601 -1.767 -16.062 266 2HB PRO 36 3HB PRO 36 2.368 -1.635 -16.255 267 1HG PRO 36 2HG PRO 36 0.843 -3.204 -14.176 268 2HG PRO 36 3HG PRO 36 2.235 -3.743 -15.158 269 1HD PRO 36 2HD PRO 36 2.608 -2.943 -12.656 270 2HD PRO 36 3HD PRO 36 3.739 -2.373 -13.919 271 H ASN 37 H ASN 37 -0.209 -1.424 -12.967 272 HA ASN 37 HA ASN 37 -2.326 0.352 -14.028 273 1HB ASN 37 2HB ASN 37 -2.547 -1.835 -11.953 274 2HB ASN 37 3HB ASN 37 -3.858 -0.960 -12.726 275 1HD2 ASN 37 1HD2 ASN 37 -1.865 -3.736 -12.988 276 2HD2 ASN 37 2HD2 ASN 37 -2.258 -4.141 -14.662 277 H LYS 38 H LYS 38 0.063 0.694 -11.583 278 HA LYS 38 HA LYS 38 0.369 2.300 -10.101 279 1HB LYS 38 2HB LYS 38 -2.082 3.681 -11.280 280 2HB LYS 38 3HB LYS 38 -0.754 4.385 -10.373 281 1HG LYS 38 2HG LYS 38 0.800 3.621 -12.298 282 2HG LYS 38 3HG LYS 38 -0.645 3.079 -13.145 283 1HD LYS 38 2HD LYS 38 -0.285 5.169 -14.085 284 2HD LYS 38 3HD LYS 38 -1.566 5.451 -12.891 285 1HE LYS 38 2HE LYS 38 0.331 6.149 -11.269 286 2HE LYS 38 3HE LYS 38 1.418 6.107 -12.655 287 1HZ LYS 38 1HZ LYS 38 0.465 8.310 -12.102 288 2HZ LYS 38 2HZ LYS 38 0.066 7.868 -13.661 289 3HZ LYS 38 3HZ LYS 38 -0.996 7.815 -12.379 290 H LYS 39 H LYS 39 -0.589 0.204 -8.900 291 HA LYS 39 HA LYS 39 -2.598 1.250 -6.995 292 1HB LYS 39 2HB LYS 39 -2.807 -1.421 -8.464 293 2HB LYS 39 3HB LYS 39 -3.738 -0.995 -7.019 294 1HG LYS 39 2HG LYS 39 -4.987 0.668 -8.156 295 2HG LYS 39 3HG LYS 39 -3.902 0.659 -9.542 296 1HD LYS 39 2HD LYS 39 -5.946 -0.463 -10.102 297 2HD LYS 39 3HD LYS 39 -4.608 -1.601 -10.183 298 1HE LYS 39 2HE LYS 39 -6.414 -1.359 -7.716 299 2HE LYS 39 3HE LYS 39 -6.854 -2.364 -9.097 300 1HZ LYS 39 1HZ LYS 39 -5.812 -3.595 -7.390 301 2HZ LYS 39 2HZ LYS 39 -4.893 -3.676 -8.755 302 3HZ LYS 39 3HZ LYS 39 -4.431 -2.741 -7.476 303 H VAL 40 H VAL 40 -2.672 -0.050 -4.953 304 HA VAL 40 HA VAL 40 -0.584 -2.067 -4.591 305 HB VAL 40 HB VAL 40 -1.330 0.416 -2.978 306 1HG1 VAL 40 1HG1 VAL 40 -0.266 -2.149 -1.803 307 2HG1 VAL 40 2HG1 VAL 40 -0.261 -0.555 -0.993 308 3HG1 VAL 40 3HG1 VAL 40 -1.802 -1.292 -1.477 309 1HG2 VAL 40 1HG2 VAL 40 1.055 0.690 -2.775 310 2HG2 VAL 40 2HG2 VAL 40 1.350 -0.941 -3.437 311 3HG2 VAL 40 3HG2 VAL 40 0.696 0.339 -4.479 312 H CYS 41 H CYS 41 -1.435 -3.775 -3.278 313 HA CYS 41 HA CYS 41 -4.028 -3.300 -2.083 314 1HB CYS 41 2HB CYS 41 -5.220 -5.123 -3.101 315 2HB CYS 41 3HB CYS 41 -4.751 -3.923 -4.318 316 HG CYS 41 HG CYS 41 -4.849 -6.180 -5.319 317 H ILE 42 H ILE 42 -4.469 -4.735 -0.374 318 HA ILE 42 HA ILE 42 -2.019 -6.214 0.511 319 HB ILE 42 HB ILE 42 -3.424 -4.055 2.131 320 1HG1 ILE 42 2HG1 ILE 42 -0.984 -3.862 0.323 321 2HG1 ILE 42 3HG1 ILE 42 -2.444 -2.851 0.329 322 1HG2 ILE 42 1HG2 ILE 42 -1.510 -4.276 3.622 323 2HG2 ILE 42 2HG2 ILE 42 -2.180 -5.878 3.373 324 3HG2 ILE 42 3HG2 ILE 42 -0.715 -5.382 2.496 325 1HD1 ILE 42 1HD1 ILE 42 -0.182 -2.891 2.335 326 2HD1 ILE 42 2HD1 ILE 42 -0.687 -1.560 1.289 327 3HD1 ILE 42 3HD1 ILE 42 -1.726 -2.058 2.647 328 H GLU 43 H GLU 43 -2.371 -7.910 1.823 329 HA GLU 43 HA GLU 43 -5.082 -8.473 2.888 330 1HB GLU 43 2HB GLU 43 -4.882 -9.307 0.494 331 2HB GLU 43 3HB GLU 43 -3.583 -10.383 1.020 332 1HG GLU 43 2HG GLU 43 -6.413 -10.407 2.168 333 2HG GLU 43 3HG GLU 43 -5.869 -11.434 0.837 334 H SER 44 H SER 44 -4.214 -8.328 4.989 335 HA SER 44 HA SER 44 -2.561 -10.468 5.849 336 1HB SER 44 2HB SER 44 -1.041 -8.396 4.840 337 2HB SER 44 3HB SER 44 -1.140 -7.948 6.548 338 HG SER 44 HG SER 44 -0.487 -10.348 6.830 339 H GLU 45 H GLU 45 -2.081 -10.229 8.189 340 HA GLU 45 HA GLU 45 -4.572 -9.897 9.443 341 1HB GLU 45 2HB GLU 45 -1.923 -10.508 10.815 342 2HB GLU 45 3HB GLU 45 -3.542 -11.060 11.239 343 1HG GLU 45 2HG GLU 45 -2.779 -12.961 10.235 344 2HG GLU 45 3HG GLU 45 -3.395 -12.194 8.775 345 H HIS 46 H HIS 46 -3.305 -7.258 8.722 346 HA HIS 46 HA HIS 46 -3.199 -5.948 11.419 347 1HB HIS 46 2HB HIS 46 -2.291 -4.964 8.692 348 2HB HIS 46 3HB HIS 46 -2.271 -4.007 10.174 349 HD1 HIS 46 1HD HIS 46 -0.426 -4.730 12.065 350 HD2 HIS 46 2HD HIS 46 -0.277 -6.671 8.343 351 HE1 HIS 46 1HE HIS 46 1.874 -5.817 11.904 352 H SER 47 H SER 47 -4.216 -3.583 11.053 353 HA SER 47 HA SER 47 -6.972 -3.994 9.995 354 1HB SER 47 2HB SER 47 -6.812 -3.417 12.366 355 2HB SER 47 3HB SER 47 -5.913 -1.945 11.957 356 HG SER 47 HG SER 47 -7.715 -1.044 11.522 357 H MET 48 H MET 48 -7.817 -2.654 8.430 358 HA MET 48 HA MET 48 -6.207 -1.623 6.466 359 1HB MET 48 2HB MET 48 -8.666 -2.255 6.383 360 2HB MET 48 3HB MET 48 -9.035 -0.723 7.191 361 1HG MET 48 2HG MET 48 -7.926 0.493 5.326 362 2HG MET 48 3HG MET 48 -7.506 -1.063 4.597 363 1HE MET 48 1HE MET 48 -10.405 1.444 5.462 364 2HE MET 48 2HE MET 48 -11.817 0.613 4.767 365 3HE MET 48 3HE MET 48 -11.025 -0.054 6.207 366 H ASP 49 H ASP 49 -7.781 0.071 9.190 367 HA ASP 49 HA ASP 49 -7.218 2.726 8.426 368 1HB ASP 49 2HB ASP 49 -7.782 3.335 10.645 369 2HB ASP 49 3HB ASP 49 -8.826 1.973 10.236 370 H THR 50 H THR 50 -5.518 0.546 10.487 371 HA THR 50 HA THR 50 -3.323 2.112 11.247 372 HB THR 50 HB THR 50 -3.550 -0.922 10.982 373 HG1 THR 50 1HG THR 50 -5.230 0.236 12.252 374 1HG2 THR 50 1HG2 THR 50 -1.967 -0.980 12.873 375 2HG2 THR 50 2HG2 THR 50 -1.244 -0.283 11.415 376 3HG2 THR 50 3HG2 THR 50 -1.757 0.780 12.749 377 H LEU 51 H LEU 51 -3.591 -0.304 8.580 378 HA LEU 51 HA LEU 51 -0.970 0.099 7.499 379 1HB LEU 51 2HB LEU 51 -3.567 -0.562 6.044 380 2HB LEU 51 3HB LEU 51 -1.943 -0.646 5.339 381 HG LEU 51 HG LEU 51 -2.819 -2.257 7.787 382 1HD1 LEU 51 1HD1 LEU 51 -4.252 -2.907 5.951 383 2HD1 LEU 51 2HD1 LEU 51 -2.878 -2.988 4.837 384 3HD1 LEU 51 3HD1 LEU 51 -3.029 -4.170 6.160 385 1HD2 LEU 51 1HD2 LEU 51 -0.462 -2.511 5.880 386 2HD2 LEU 51 2HD2 LEU 51 -0.384 -2.059 7.594 387 3HD2 LEU 51 3HD2 LEU 51 -0.873 -3.692 7.140 388 H LEU 52 H LEU 52 -4.097 1.589 6.566 389 HA LEU 52 HA LEU 52 -3.174 3.315 4.602 390 1HB LEU 52 2HB LEU 52 -5.583 2.783 5.521 391 2HB LEU 52 3HB LEU 52 -5.347 4.316 6.351 392 HG LEU 52 HG LEU 52 -6.406 4.696 4.296 393 1HD1 LEU 52 1HD1 LEU 52 -3.538 5.482 3.690 394 2HD1 LEU 52 2HD1 LEU 52 -5.020 6.255 3.114 395 3HD1 LEU 52 3HD1 LEU 52 -4.603 6.336 4.835 396 1HD2 LEU 52 1HD2 LEU 52 -5.850 2.572 3.168 397 2HD2 LEU 52 2HD2 LEU 52 -5.735 3.985 2.106 398 3HD2 LEU 52 3HD2 LEU 52 -4.263 3.229 2.723 399 H ALA 53 H ALA 53 -3.696 4.154 8.056 400 HA ALA 53 HA ALA 53 -2.650 6.746 7.976 401 1HB ALA 53 1HB ALA 53 -3.985 5.835 9.852 402 2HB ALA 53 2HB ALA 53 -2.647 4.750 10.288 403 3HB ALA 53 3HB ALA 53 -2.451 6.509 10.439 404 H THR 54 H THR 54 -0.937 3.665 8.527 405 HA THR 54 HA THR 54 1.616 4.869 9.041 406 HB THR 54 HB THR 54 0.888 2.131 7.907 407 HG1 THR 54 1HG THR 54 0.122 2.385 9.928 408 1HG2 THR 54 1HG2 THR 54 3.170 2.614 7.288 409 2HG2 THR 54 2HG2 THR 54 3.530 3.257 8.912 410 3HG2 THR 54 3HG2 THR 54 3.186 1.533 8.683 411 H LEU 55 H LEU 55 0.313 3.408 5.992 412 HA LEU 55 HA LEU 55 2.682 3.978 4.550 413 1HB LEU 55 2HB LEU 55 1.580 3.098 2.703 414 2HB LEU 55 3HB LEU 55 1.243 2.153 4.136 415 HG LEU 55 HG LEU 55 -0.975 3.558 4.200 416 1HD1 LEU 55 1HD1 LEU 55 -1.697 4.148 1.931 417 2HD1 LEU 55 2HD1 LEU 55 -0.182 4.986 2.349 418 3HD1 LEU 55 3HD1 LEU 55 -0.114 3.572 1.302 419 1HD2 LEU 55 1HD2 LEU 55 -0.483 1.346 2.167 420 2HD2 LEU 55 2HD2 LEU 55 -0.785 1.092 3.900 421 3HD2 LEU 55 3HD2 LEU 55 -2.050 1.808 2.878 422 H LYS 56 H LYS 56 -0.294 5.745 4.913 423 HA LYS 56 HA LYS 56 -0.287 7.822 3.277 424 1HB LYS 56 2HB LYS 56 -1.534 7.459 5.592 425 2HB LYS 56 3HB LYS 56 -0.251 8.470 6.251 426 1HG LYS 56 2HG LYS 56 -0.935 10.174 4.444 427 2HG LYS 56 3HG LYS 56 -2.287 9.051 4.097 428 1HD LYS 56 2HD LYS 56 -2.972 9.192 6.510 429 2HD LYS 56 3HD LYS 56 -1.719 10.401 6.791 430 1HE LYS 56 2HE LYS 56 -4.124 10.649 4.900 431 2HE LYS 56 3HE LYS 56 -3.971 11.412 6.488 432 1HZ LYS 56 1HZ LYS 56 -2.101 12.670 5.632 433 2HZ LYS 56 2HZ LYS 56 -2.274 11.980 4.146 434 3HZ LYS 56 3HZ LYS 56 -3.458 12.947 4.747 435 H LYS 57 H LYS 57 2.218 7.332 5.725 436 HA LYS 57 HA LYS 57 3.379 9.892 5.837 437 1HB LYS 57 2HB LYS 57 4.464 7.119 6.306 438 2HB LYS 57 3HB LYS 57 5.378 8.599 6.693 439 1HG LYS 57 2HG LYS 57 3.579 9.320 8.197 440 2HG LYS 57 3HG LYS 57 2.591 7.936 7.701 441 1HD LYS 57 2HD LYS 57 4.289 6.365 8.568 442 2HD LYS 57 3HD LYS 57 5.200 7.740 9.236 443 1HE LYS 57 2HE LYS 57 3.273 8.362 10.653 444 2HE LYS 57 3HE LYS 57 2.259 7.133 9.882 445 1HZ LYS 57 1HZ LYS 57 3.657 5.439 10.818 446 2HZ LYS 57 2HZ LYS 57 4.625 6.563 11.538 447 3HZ LYS 57 3HZ LYS 57 3.055 6.405 11.999 448 H THR 58 H THR 58 3.532 7.605 3.119 449 HA THR 58 HA THR 58 5.994 8.624 2.009 450 HB THR 58 HB THR 58 5.118 7.750 -0.128 451 HG1 THR 58 1HG THR 58 2.951 8.107 0.004 452 1HG2 THR 58 1HG2 THR 58 4.666 5.906 2.244 453 2HG2 THR 58 2HG2 THR 58 4.951 5.399 0.566 454 3HG2 THR 58 3HG2 THR 58 6.228 6.251 1.472 455 H GLY 59 H GLY 59 2.801 9.982 2.353 456 1HA GLY 59 2HA GLY 59 2.018 12.039 1.881 457 2HA GLY 59 3HA GLY 59 3.693 12.524 1.528 458 H LYS 60 H LYS 60 1.802 10.010 -0.148 459 HA LYS 60 HA LYS 60 1.670 11.661 -2.615 460 1HB LYS 60 2HB LYS 60 2.705 8.863 -2.106 461 2HB LYS 60 3HB LYS 60 2.085 9.252 -3.681 462 1HG LYS 60 2HG LYS 60 4.288 10.750 -2.198 463 2HG LYS 60 3HG LYS 60 4.557 9.531 -3.412 464 1HD LYS 60 2HD LYS 60 3.230 12.276 -3.894 465 2HD LYS 60 3HD LYS 60 4.903 11.880 -4.136 466 1HE LYS 60 2HE LYS 60 3.874 11.945 -6.274 467 2HE LYS 60 3HE LYS 60 4.382 10.296 -5.925 468 1HZ LYS 60 1HZ LYS 60 2.201 10.318 -6.944 469 2HZ LYS 60 2HZ LYS 60 2.073 9.775 -5.457 470 3HZ LYS 60 3HZ LYS 60 1.560 11.300 -5.810 471 H THR 61 H THR 61 0.387 10.701 -4.258 472 HA THR 61 HA THR 61 -2.275 10.699 -3.676 473 HB THR 61 HB THR 61 -1.106 9.594 -6.207 474 HG1 THR 61 1HG THR 61 -0.566 12.004 -6.547 475 1HG2 THR 61 1HG2 THR 61 -3.491 10.327 -6.089 476 2HG2 THR 61 2HG2 THR 61 -2.960 11.969 -5.668 477 3HG2 THR 61 3HG2 THR 61 -2.579 11.288 -7.264 478 H VAL 62 H VAL 62 -1.563 8.637 -2.091 479 HA VAL 62 HA VAL 62 -2.552 6.161 -3.382 480 HB VAL 62 HB VAL 62 -0.708 5.673 -2.038 481 1HG1 VAL 62 1HG1 VAL 62 -0.504 7.606 -0.592 482 2HG1 VAL 62 2HG1 VAL 62 -2.021 7.202 0.248 483 3HG1 VAL 62 3HG1 VAL 62 -0.594 6.157 0.391 484 1HG2 VAL 62 1HG2 VAL 62 -1.603 4.036 -0.558 485 2HG2 VAL 62 2HG2 VAL 62 -3.104 4.947 -0.310 486 3HG2 VAL 62 3HG2 VAL 62 -2.770 4.184 -1.876 487 H SER 63 H SER 63 -4.627 5.406 -2.985 488 HA SER 63 HA SER 63 -6.260 6.581 -0.853 489 1HB SER 63 2HB SER 63 -6.955 6.935 -3.808 490 2HB SER 63 3HB SER 63 -8.099 7.182 -2.478 491 HG SER 63 HG SER 63 -5.745 8.520 -2.083 492 H TYR 64 H TYR 64 -8.289 5.340 -0.639 493 HA TYR 64 HA TYR 64 -7.738 2.508 -1.241 494 1HB TYR 64 2HB TYR 64 -7.804 2.635 1.029 495 2HB TYR 64 3HB TYR 64 -8.831 4.053 1.039 496 HD1 TYR 64 HD1 TYR 64 -11.034 3.902 1.731 497 HD2 TYR 64 HD2 TYR 64 -9.071 0.354 0.247 498 HE1 TYR 64 HE1 TYR 64 -12.994 2.551 2.368 499 HE2 TYR 64 HE2 TYR 64 -11.031 -0.994 0.923 500 HH TYR 64 HH TYR 64 -13.922 0.442 2.448 501 H LEU 65 H LEU 65 -9.052 1.268 -2.463 502 HA LEU 65 HA LEU 65 -11.872 1.907 -2.823 503 1HB LEU 65 2HB LEU 65 -11.514 1.694 -5.369 504 2HB LEU 65 3HB LEU 65 -11.417 3.237 -4.543 505 HG LEU 65 HG LEU 65 -9.779 2.968 -6.276 506 1HD1 LEU 65 1HD1 LEU 65 -8.169 3.218 -3.846 507 2HD1 LEU 65 2HD1 LEU 65 -8.099 4.135 -5.347 508 3HD1 LEU 65 3HD1 LEU 65 -9.428 4.420 -4.227 509 1HD2 LEU 65 1HD2 LEU 65 -8.399 0.824 -4.696 510 2HD2 LEU 65 2HD2 LEU 65 -9.285 0.609 -6.222 511 3HD2 LEU 65 3HD2 LEU 65 -7.826 1.592 -6.187 512 H GLY 66 H GLY 66 -11.729 -0.209 -1.570 513 1HA GLY 66 2HA GLY 66 -13.331 -1.908 -2.557 514 2HA GLY 66 3HA GLY 66 -11.972 -2.425 -3.572 515 H LEU 67 H LEU 67 -13.356 -4.052 -1.533 516 HA LEU 67 HA LEU 67 -11.002 -5.012 -0.307 517 1HB LEU 67 2HB LEU 67 -11.636 -4.919 2.008 518 2HB LEU 67 3HB LEU 67 -11.678 -3.275 1.391 519 HG LEU 67 HG LEU 67 -14.068 -5.099 1.945 520 1HD1 LEU 67 1HD1 LEU 67 -12.901 -4.237 3.942 521 2HD1 LEU 67 2HD1 LEU 67 -13.062 -2.578 3.328 522 3HD1 LEU 67 3HD1 LEU 67 -14.508 -3.510 3.770 523 1HD2 LEU 67 1HD2 LEU 67 -14.779 -3.671 0.134 524 2HD2 LEU 67 2HD2 LEU 67 -15.416 -2.970 1.618 525 3HD2 LEU 67 3HD2 LEU 67 -13.982 -2.254 0.855 526 H GLU 68 H GLU 68 -11.299 -7.176 0.536 527 HA GLU 68 HA GLU 68 -13.864 -8.512 0.217 528 1HB GLU 68 2HB GLU 68 -12.720 -8.325 -2.126 529 2HB GLU 68 3HB GLU 68 -11.502 -9.424 -1.474 530 1HG GLU 68 2HG GLU 68 -13.008 -10.840 -2.591 531 2HG GLU 68 3HG GLU 68 -13.517 -10.985 -0.901 Start of MODEL 17 1 1H MET 1 H1 MET 1 -7.668 -6.669 6.371 2 2H MET 1 H2 MET 1 -6.770 -6.532 7.754 3 3H MET 1 H3 MET 1 -6.314 -7.576 6.604 4 HA MET 1 HA MET 1 -7.192 -8.786 8.374 5 1HB MET 1 2HB MET 1 -9.655 -7.110 7.926 6 2HB MET 1 3HB MET 1 -9.731 -8.734 8.670 7 1HG MET 1 2HG MET 1 -8.153 -8.031 10.391 8 2HG MET 1 3HG MET 1 -8.038 -6.417 9.676 9 1HE MET 1 1HE MET 1 -11.252 -5.873 8.989 10 2HE MET 1 2HE MET 1 -11.599 -4.961 10.471 11 3HE MET 1 3HE MET 1 -10.062 -4.704 9.618 12 HA PRO 2 HA PRO 2 -8.569 -10.977 4.511 13 1HB PRO 2 2HB PRO 2 -10.713 -10.472 3.051 14 2HB PRO 2 3HB PRO 2 -10.905 -11.114 4.691 15 1HG PRO 2 2HG PRO 2 -11.101 -8.180 3.923 16 2HG PRO 2 3HG PRO 2 -12.276 -9.149 4.846 17 1HD PRO 2 2HD PRO 2 -10.307 -7.595 5.970 18 2HD PRO 2 3HD PRO 2 -10.928 -9.079 6.761 19 H LYS 3 H LYS 3 -9.921 -8.929 2.170 20 HA LYS 3 HA LYS 3 -7.176 -8.197 1.310 21 1HB LYS 3 2HB LYS 3 -8.225 -9.859 -0.058 22 2HB LYS 3 3HB LYS 3 -9.735 -8.989 -0.108 23 1HG LYS 3 2HG LYS 3 -8.765 -7.194 -1.446 24 2HG LYS 3 3HG LYS 3 -7.151 -7.918 -1.267 25 1HD LYS 3 2HD LYS 3 -7.868 -9.899 -2.546 26 2HD LYS 3 3HD LYS 3 -9.537 -9.309 -2.590 27 1HE LYS 3 2HE LYS 3 -8.328 -8.887 -4.734 28 2HE LYS 3 3HE LYS 3 -8.913 -7.400 -3.979 29 1HZ LYS 3 1HZ LYS 3 -6.769 -6.997 -3.131 30 2HZ LYS 3 2HZ LYS 3 -6.139 -8.378 -3.718 31 3HZ LYS 3 3HZ LYS 3 -6.685 -7.118 -4.727 32 H HIS 4 H HIS 4 -6.684 -6.110 0.873 33 HA HIS 4 HA HIS 4 -8.878 -4.106 0.719 34 1HB HIS 4 2HB HIS 4 -6.255 -3.724 2.185 35 2HB HIS 4 3HB HIS 4 -7.617 -2.604 2.088 36 HD1 HIS 4 1HD HIS 4 -10.020 -4.320 2.929 37 HD2 HIS 4 2HD HIS 4 -6.165 -4.909 4.480 38 HE1 HIS 4 1HE HIS 4 -10.302 -5.522 5.155 39 H GLU 5 H GLU 5 -8.745 -2.820 -1.076 40 HA GLU 5 HA GLU 5 -6.322 -2.974 -2.801 41 1HB GLU 5 2HB GLU 5 -9.284 -2.453 -3.132 42 2HB GLU 5 3HB GLU 5 -8.180 -1.949 -4.395 43 1HG GLU 5 2HG GLU 5 -8.171 -4.786 -3.224 44 2HG GLU 5 3HG GLU 5 -9.236 -4.298 -4.532 45 H PHE 6 H PHE 6 -5.246 -1.136 -3.504 46 HA PHE 6 HA PHE 6 -6.252 1.500 -2.637 47 1HB PHE 6 2HB PHE 6 -3.388 0.569 -2.206 48 2HB PHE 6 3HB PHE 6 -4.078 2.094 -1.686 49 HD1 PHE 6 1HD PHE 6 -5.044 2.253 0.589 50 HD2 PHE 6 2HD PHE 6 -4.137 -1.603 -1.155 51 HE1 PHE 6 1HE PHE 6 -5.639 1.129 2.697 52 HE2 PHE 6 2HE PHE 6 -4.643 -2.681 0.989 53 HZ PHE 6 HZ PHE 6 -5.425 -1.322 2.930 54 H SER 7 H SER 7 -5.837 3.103 -4.057 55 HA SER 7 HA SER 7 -4.477 2.473 -6.627 56 1HB SER 7 2HB SER 7 -6.727 3.650 -6.574 57 2HB SER 7 3HB SER 7 -5.925 5.022 -5.787 58 HG SER 7 HG SER 7 -4.604 5.175 -7.673 59 H VAL 8 H VAL 8 -2.492 3.509 -7.164 60 HA VAL 8 HA VAL 8 -1.216 5.258 -5.134 61 HB VAL 8 HB VAL 8 -0.043 2.736 -6.435 62 1HG1 VAL 8 1HG1 VAL 8 1.624 4.356 -6.087 63 2HG1 VAL 8 2HG1 VAL 8 1.043 4.766 -4.452 64 3HG1 VAL 8 3HG1 VAL 8 1.795 3.182 -4.784 65 1HG2 VAL 8 1HG2 VAL 8 -1.629 2.040 -4.673 66 2HG2 VAL 8 2HG2 VAL 8 0.009 1.934 -4.019 67 3HG2 VAL 8 3HG2 VAL 8 -1.010 3.305 -3.589 68 H ASP 9 H ASP 9 -1.581 7.050 -6.650 69 HA ASP 9 HA ASP 9 -0.335 6.689 -9.296 70 1HB ASP 9 2HB ASP 9 -2.346 8.267 -8.853 71 2HB ASP 9 3HB ASP 9 -1.091 9.460 -8.471 72 H MET 10 H MET 10 1.569 5.905 -8.378 73 HA MET 10 HA MET 10 3.633 7.998 -7.796 74 1HB MET 10 2HB MET 10 3.761 4.965 -7.957 75 2HB MET 10 3HB MET 10 5.147 6.029 -7.647 76 1HG MET 10 2HG MET 10 2.814 6.206 -5.754 77 2HG MET 10 3HG MET 10 3.829 4.764 -5.711 78 1HE MET 10 1HE MET 10 4.609 4.856 -3.378 79 2HE MET 10 2HE MET 10 5.192 6.313 -2.556 80 3HE MET 10 3HE MET 10 3.500 6.222 -3.108 81 H THR 11 H THR 11 5.477 7.962 -9.333 82 HA THR 11 HA THR 11 4.920 6.831 -12.043 83 HB THR 11 HB THR 11 5.650 8.994 -12.996 84 HG1 THR 11 1HG THR 11 6.869 9.761 -11.315 85 1HG2 THR 11 1HG2 THR 11 3.217 8.632 -12.656 86 2HG2 THR 11 2HG2 THR 11 3.322 9.428 -11.067 87 3HG2 THR 11 3HG2 THR 11 3.684 10.337 -12.540 88 H CYS 12 H CYS 12 6.650 5.596 -10.099 89 HA CYS 12 HA CYS 12 9.115 5.709 -11.663 90 1HB CYS 12 2HB CYS 12 9.468 7.521 -9.950 91 2HB CYS 12 3HB CYS 12 9.126 6.337 -8.667 92 HG CYS 12 HG CYS 12 11.470 6.286 -10.993 93 H GLY 13 H GLY 13 10.277 3.690 -11.398 94 1HA GLY 13 2HA GLY 13 8.870 1.363 -10.605 95 2HA GLY 13 3HA GLY 13 10.634 1.513 -10.742 96 H GLY 14 H GLY 14 11.103 3.487 -8.864 97 1HA GLY 14 2HA GLY 14 11.338 2.247 -6.393 98 2HA GLY 14 3HA GLY 14 11.414 3.994 -6.671 99 H CYS 15 H CYS 15 8.373 3.455 -7.708 100 HA CYS 15 HA CYS 15 6.843 4.110 -5.482 101 1HB CYS 15 2HB CYS 15 4.963 3.114 -6.588 102 2HB CYS 15 3HB CYS 15 5.949 3.987 -7.778 103 HG CYS 15 HG CYS 15 7.076 1.903 -8.772 104 H ALA 16 H ALA 16 7.993 0.900 -6.634 105 HA ALA 16 HA ALA 16 6.637 -0.544 -4.587 106 1HB ALA 16 1HB ALA 16 7.303 -1.618 -6.697 107 2HB ALA 16 2HB ALA 16 9.019 -1.315 -6.354 108 3HB ALA 16 3HB ALA 16 8.097 -2.451 -5.349 109 H GLU 17 H GLU 17 10.057 0.604 -4.919 110 HA GLU 17 HA GLU 17 11.029 -0.445 -2.554 111 1HB GLU 17 2HB GLU 17 11.594 2.117 -4.092 112 2HB GLU 17 3HB GLU 17 12.579 1.635 -2.729 113 1HG GLU 17 2HG GLU 17 12.045 -0.464 -4.866 114 2HG GLU 17 3HG GLU 17 13.149 0.849 -5.206 115 H ALA 18 H ALA 18 9.237 2.584 -3.081 116 HA ALA 18 HA ALA 18 9.497 3.593 -0.409 117 1HB ALA 18 1HB ALA 18 7.706 5.153 -1.086 118 2HB ALA 18 2HB ALA 18 8.965 5.026 -2.334 119 3HB ALA 18 3HB ALA 18 7.411 4.197 -2.554 120 H VAL 19 H VAL 19 6.742 1.977 -2.092 121 HA VAL 19 HA VAL 19 5.030 1.821 0.152 122 HB VAL 19 HB VAL 19 5.285 0.041 -2.287 123 1HG1 VAL 19 1HG1 VAL 19 3.084 0.126 -0.168 124 2HG1 VAL 19 2HG1 VAL 19 3.001 -0.763 -1.702 125 3HG1 VAL 19 3HG1 VAL 19 4.163 -1.253 -0.478 126 1HG2 VAL 19 1HG2 VAL 19 3.229 2.179 -1.549 127 2HG2 VAL 19 2HG2 VAL 19 4.593 2.457 -2.640 128 3HG2 VAL 19 3HG2 VAL 19 3.341 1.288 -3.082 129 H SER 20 H SER 20 7.379 -0.581 -1.122 130 HA SER 20 HA SER 20 6.938 -2.554 0.796 131 1HB SER 20 2HB SER 20 8.263 -2.785 -1.322 132 2HB SER 20 3HB SER 20 9.577 -1.850 -0.588 133 HG SER 20 HG SER 20 10.024 -4.015 -0.327 134 H ARG 21 H ARG 21 9.433 0.114 1.011 135 HA ARG 21 HA ARG 21 10.263 -0.510 3.604 136 1HB ARG 21 2HB ARG 21 10.060 2.106 2.083 137 2HB ARG 21 3HB ARG 21 10.820 1.989 3.684 138 1HG ARG 21 2HG ARG 21 12.447 0.431 2.942 139 2HG ARG 21 3HG ARG 21 11.597 0.078 1.470 140 1HD ARG 21 2HD ARG 21 12.025 2.434 0.655 141 2HD ARG 21 3HD ARG 21 12.894 2.763 2.154 142 HE ARG 21 HE ARG 21 14.751 1.902 1.178 143 1HH1 ARG 21 2HH2 ARG 21 11.958 0.341 -0.392 144 2HH1 ARG 21 1HH2 ARG 21 12.977 -0.648 -1.430 145 1HH2 ARG 21 2HH1 ARG 21 16.012 0.867 -0.503 146 2HH2 ARG 21 1HH1 ARG 21 15.154 0.067 -1.788 147 H VAL 22 H VAL 22 7.620 1.954 2.806 148 HA VAL 22 HA VAL 22 7.178 2.467 5.498 149 HB VAL 22 HB VAL 22 6.555 3.808 3.431 150 1HG1 VAL 22 1HG1 VAL 22 5.241 2.038 2.324 151 2HG1 VAL 22 2HG1 VAL 22 4.026 2.158 3.620 152 3HG1 VAL 22 3HG1 VAL 22 4.306 3.517 2.523 153 1HG2 VAL 22 1HG2 VAL 22 4.516 3.455 5.631 154 2HG2 VAL 22 2HG2 VAL 22 5.955 4.519 5.636 155 3HG2 VAL 22 3HG2 VAL 22 4.602 4.828 4.506 156 H LEU 23 H LEU 23 5.602 -0.011 3.381 157 HA LEU 23 HA LEU 23 3.828 -0.970 5.365 158 1HB LEU 23 2HB LEU 23 4.986 -2.080 2.785 159 2HB LEU 23 3HB LEU 23 4.028 -3.079 3.850 160 HG LEU 23 HG LEU 23 2.738 -2.072 1.977 161 1HD1 LEU 23 1HD1 LEU 23 1.905 -1.674 4.878 162 2HD1 LEU 23 2HD1 LEU 23 0.814 -1.479 3.515 163 3HD1 LEU 23 3HD1 LEU 23 1.570 -3.063 3.816 164 1HD2 LEU 23 1HD2 LEU 23 1.862 0.151 2.218 165 2HD2 LEU 23 2HD2 LEU 23 2.756 0.373 3.739 166 3HD2 LEU 23 3HD2 LEU 23 3.626 0.249 2.186 167 H ASN 24 H ASN 24 7.180 -2.160 4.539 168 HA ASN 24 HA ASN 24 7.159 -4.225 6.478 169 1HB ASN 24 2HB ASN 24 9.315 -2.561 5.136 170 2HB ASN 24 3HB ASN 24 9.705 -3.600 6.491 171 1HD2 ASN 24 1HD2 ASN 24 8.200 -3.665 3.272 172 2HD2 ASN 24 2HD2 ASN 24 8.519 -5.354 2.951 173 H LYS 25 H LYS 25 7.915 -0.769 6.740 174 HA LYS 25 HA LYS 25 8.736 -0.655 9.439 175 1HB LYS 25 2HB LYS 25 7.688 1.246 7.384 176 2HB LYS 25 3HB LYS 25 7.262 1.668 9.032 177 1HG LYS 25 2HG LYS 25 9.372 2.727 8.443 178 2HG LYS 25 3HG LYS 25 9.603 1.551 9.744 179 1HD LYS 25 2HD LYS 25 10.388 -0.119 7.982 180 2HD LYS 25 3HD LYS 25 10.275 1.182 6.786 181 1HE LYS 25 2HE LYS 25 11.948 2.508 8.034 182 2HE LYS 25 3HE LYS 25 11.975 1.303 9.332 183 1HZ LYS 25 1HZ LYS 25 13.831 1.046 7.869 184 2HZ LYS 25 2HZ LYS 25 12.873 -0.284 7.789 185 3HZ LYS 25 3HZ LYS 25 12.855 0.819 6.566 186 H LEU 26 H LEU 26 5.488 -1.161 8.190 187 HA LEU 26 HA LEU 26 4.120 -0.551 10.635 188 1HB LEU 26 2HB LEU 26 3.206 -0.855 8.305 189 2HB LEU 26 3HB LEU 26 3.304 -2.580 8.481 190 HG LEU 26 HG LEU 26 1.089 -1.438 8.803 191 1HD1 LEU 26 1HD1 LEU 26 0.289 -2.954 10.480 192 2HD1 LEU 26 2HD1 LEU 26 1.479 -3.770 9.453 193 3HD1 LEU 26 3HD1 LEU 26 1.924 -3.246 11.093 194 1HD2 LEU 26 1HD2 LEU 26 0.491 -0.394 10.866 195 2HD2 LEU 26 2HD2 LEU 26 2.035 -0.813 11.626 196 3HD2 LEU 26 3HD2 LEU 26 1.969 0.404 10.335 197 H GLY 27 H GLY 27 5.681 -3.473 9.309 198 1HA GLY 27 2HA GLY 27 6.498 -4.629 11.593 199 2HA GLY 27 3HA GLY 27 4.780 -5.079 11.600 200 H GLY 28 H GLY 28 3.989 -6.618 10.124 201 1HA GLY 28 2HA GLY 28 5.964 -8.083 8.415 202 2HA GLY 28 3HA GLY 28 5.083 -8.917 9.705 203 H VAL 29 H VAL 29 3.763 -6.297 7.832 204 HA VAL 29 HA VAL 29 1.403 -7.629 7.031 205 HB VAL 29 HB VAL 29 1.514 -5.226 7.288 206 1HG1 VAL 29 1HG1 VAL 29 3.624 -5.232 5.101 207 2HG1 VAL 29 2HG1 VAL 29 2.795 -3.790 5.715 208 3HG1 VAL 29 3HG1 VAL 29 3.836 -4.727 6.776 209 1HG2 VAL 29 1HG2 VAL 29 -0.029 -6.122 5.508 210 2HG2 VAL 29 2HG2 VAL 29 0.479 -4.444 5.280 211 3HG2 VAL 29 3HG2 VAL 29 1.211 -5.716 4.299 212 H LYS 30 H LYS 30 0.756 -8.519 5.023 213 HA LYS 30 HA LYS 30 2.900 -8.827 2.986 214 1HB LYS 30 2HB LYS 30 1.497 -10.877 3.797 215 2HB LYS 30 3HB LYS 30 0.277 -10.235 2.693 216 1HG LYS 30 2HG LYS 30 3.038 -11.324 2.114 217 2HG LYS 30 3HG LYS 30 1.489 -11.764 1.379 218 1HD LYS 30 2HD LYS 30 1.492 -9.444 0.258 219 2HD LYS 30 3HD LYS 30 3.127 -9.230 0.918 220 1HE LYS 30 2HE LYS 30 3.579 -9.737 -1.142 221 2HE LYS 30 3HE LYS 30 3.844 -11.292 -0.345 222 1HZ LYS 30 1HZ LYS 30 1.951 -12.123 -1.520 223 2HZ LYS 30 2HZ LYS 30 1.231 -10.620 -1.523 224 3HZ LYS 30 3HZ LYS 30 2.370 -10.859 -2.556 225 H TYR 31 H TYR 31 2.899 -7.233 1.591 226 HA TYR 31 HA TYR 31 0.433 -5.949 0.529 227 1HB TYR 31 2HB TYR 31 1.898 -3.984 0.121 228 2HB TYR 31 3HB TYR 31 1.731 -4.356 1.833 229 HD1 TYR 31 HD1 TYR 31 4.078 -4.207 -1.002 230 HD2 TYR 31 HD2 TYR 31 3.570 -5.559 3.031 231 HE1 TYR 31 HE1 TYR 31 6.500 -4.768 -0.873 232 HE2 TYR 31 HE2 TYR 31 5.988 -6.062 3.193 233 HH TYR 31 HH TYR 31 8.267 -5.161 0.672 234 H ASP 32 H ASP 32 0.484 -5.558 -1.757 235 HA ASP 32 HA ASP 32 2.658 -6.824 -3.366 236 1HB ASP 32 2HB ASP 32 -0.321 -7.259 -3.293 237 2HB ASP 32 3HB ASP 32 0.554 -7.588 -4.768 238 H ILE 33 H ILE 33 3.323 -5.357 -4.873 239 HA ILE 33 HA ILE 33 1.731 -2.871 -5.240 240 HB ILE 33 HB ILE 33 4.642 -3.321 -5.941 241 1HG1 ILE 33 2HG1 ILE 33 4.664 -1.671 -3.737 242 2HG1 ILE 33 3HG1 ILE 33 3.403 -2.802 -3.265 243 1HG2 ILE 33 1HG2 ILE 33 3.056 -0.775 -5.425 244 2HG2 ILE 33 2HG2 ILE 33 4.754 -0.893 -5.923 245 3HG2 ILE 33 3HG2 ILE 33 3.475 -1.398 -7.031 246 1HD1 ILE 33 1HD1 ILE 33 6.196 -3.586 -4.243 247 2HD1 ILE 33 2HD1 ILE 33 5.729 -3.411 -2.549 248 3HD1 ILE 33 3HD1 ILE 33 4.976 -4.680 -3.545 249 H ASP 34 H ASP 34 0.902 -2.368 -7.199 250 HA ASP 34 HA ASP 34 1.621 -3.988 -9.601 251 1HB ASP 34 2HB ASP 34 -0.741 -4.153 -8.905 252 2HB ASP 34 3HB ASP 34 -0.878 -2.387 -9.000 253 H LEU 35 H LEU 35 3.055 -2.905 -10.759 254 HA LEU 35 HA LEU 35 3.454 -0.027 -10.595 255 1HB LEU 35 2HB LEU 35 4.756 -2.304 -12.104 256 2HB LEU 35 3HB LEU 35 4.978 -0.642 -12.661 257 HG LEU 35 HG LEU 35 5.863 0.029 -10.490 258 1HD1 LEU 35 1HD1 LEU 35 5.581 -2.928 -9.767 259 2HD1 LEU 35 2HD1 LEU 35 6.539 -1.744 -8.855 260 3HD1 LEU 35 3HD1 LEU 35 4.786 -1.553 -8.965 261 1HD2 LEU 35 1HD2 LEU 35 7.377 -0.727 -12.278 262 2HD2 LEU 35 2HD2 LEU 35 8.016 -1.147 -10.679 263 3HD2 LEU 35 3HD2 LEU 35 7.257 -2.399 -11.686 264 HA PRO 36 HA PRO 36 2.073 0.013 -15.175 265 1HB PRO 36 2HB PRO 36 0.306 -1.964 -16.069 266 2HB PRO 36 3HB PRO 36 2.069 -1.941 -16.338 267 1HG PRO 36 2HG PRO 36 0.544 -3.381 -14.165 268 2HG PRO 36 3HG PRO 36 1.860 -4.018 -15.194 269 1HD PRO 36 2HD PRO 36 2.372 -3.198 -12.722 270 2HD PRO 36 3HD PRO 36 3.496 -2.723 -14.029 271 H ASN 37 H ASN 37 -0.338 -1.539 -12.948 272 HA ASN 37 HA ASN 37 -2.401 0.336 -13.944 273 1HB ASN 37 2HB ASN 37 -2.650 -1.785 -11.803 274 2HB ASN 37 3HB ASN 37 -3.942 -0.868 -12.567 275 1HD2 ASN 37 1HD2 ASN 37 -2.087 -3.745 -12.793 276 2HD2 ASN 37 2HD2 ASN 37 -2.564 -4.190 -14.436 277 H LYS 38 H LYS 38 0.091 0.483 -11.557 278 HA LYS 38 HA LYS 38 0.565 2.030 -10.028 279 1HB LYS 38 2HB LYS 38 -1.681 3.585 -11.385 280 2HB LYS 38 3HB LYS 38 -0.526 4.246 -10.245 281 1HG LYS 38 2HG LYS 38 1.317 3.974 -11.742 282 2HG LYS 38 3HG LYS 38 0.448 2.811 -12.739 283 1HD LYS 38 2HD LYS 38 0.535 4.874 -13.971 284 2HD LYS 38 3HD LYS 38 -1.119 4.470 -13.528 285 1HE LYS 38 2HE LYS 38 -0.915 6.815 -13.183 286 2HE LYS 38 3HE LYS 38 -0.963 6.094 -11.584 287 1HZ LYS 38 1HZ LYS 38 1.482 6.398 -11.481 288 2HZ LYS 38 2HZ LYS 38 1.458 7.019 -13.007 289 3HZ LYS 38 3HZ LYS 38 0.691 7.784 -11.781 290 H LYS 39 H LYS 39 -0.487 0.056 -8.847 291 HA LYS 39 HA LYS 39 -2.419 1.150 -6.891 292 1HB LYS 39 2HB LYS 39 -2.799 -1.504 -8.355 293 2HB LYS 39 3HB LYS 39 -3.717 -0.961 -6.938 294 1HG LYS 39 2HG LYS 39 -4.793 0.782 -8.169 295 2HG LYS 39 3HG LYS 39 -3.737 0.550 -9.556 296 1HD LYS 39 2HD LYS 39 -5.926 -0.402 -9.962 297 2HD LYS 39 3HD LYS 39 -4.680 -1.643 -10.042 298 1HE LYS 39 2HE LYS 39 -6.292 -1.145 -7.487 299 2HE LYS 39 3HE LYS 39 -6.936 -2.146 -8.790 300 1HZ LYS 39 1HZ LYS 39 -4.405 -2.710 -7.403 301 2HZ LYS 39 2HZ LYS 39 -5.843 -3.369 -7.059 302 3HZ LYS 39 3HZ LYS 39 -5.147 -3.668 -8.525 303 H VAL 40 H VAL 40 -2.581 -0.359 -4.945 304 HA VAL 40 HA VAL 40 -0.559 -2.452 -4.714 305 HB VAL 40 HB VAL 40 -1.217 -0.018 -2.993 306 1HG1 VAL 40 1HG1 VAL 40 -1.791 -1.743 -1.545 307 2HG1 VAL 40 2HG1 VAL 40 -0.295 -2.667 -1.883 308 3HG1 VAL 40 3HG1 VAL 40 -0.222 -1.105 -1.021 309 1HG2 VAL 40 1HG2 VAL 40 1.411 -1.461 -3.430 310 2HG2 VAL 40 2HG2 VAL 40 0.816 -0.127 -4.445 311 3HG2 VAL 40 3HG2 VAL 40 1.145 0.154 -2.722 312 H CYS 41 H CYS 41 -1.415 -4.242 -3.745 313 HA CYS 41 HA CYS 41 -4.090 -3.922 -2.509 314 1HB CYS 41 2HB CYS 41 -4.796 -5.996 -2.955 315 2HB CYS 41 3HB CYS 41 -4.268 -5.523 -4.562 316 HG CYS 41 HG CYS 41 -3.902 -8.142 -3.381 317 H ILE 42 H ILE 42 -4.285 -5.057 -0.523 318 HA ILE 42 HA ILE 42 -1.803 -6.246 0.565 319 HB ILE 42 HB ILE 42 -3.452 -4.275 2.133 320 1HG1 ILE 42 2HG1 ILE 42 -0.766 -3.769 0.743 321 2HG1 ILE 42 3HG1 ILE 42 -2.304 -3.029 0.284 322 1HG2 ILE 42 1HG2 ILE 42 -0.652 -5.296 2.682 323 2HG2 ILE 42 2HG2 ILE 42 -1.722 -4.441 3.796 324 3HG2 ILE 42 3HG2 ILE 42 -2.113 -6.083 3.320 325 1HD1 ILE 42 1HD1 ILE 42 -0.930 -2.576 2.923 326 2HD1 ILE 42 2HD1 ILE 42 -0.910 -1.477 1.533 327 3HD1 ILE 42 3HD1 ILE 42 -2.431 -1.806 2.376 328 H GLU 43 H GLU 43 -2.304 -8.129 1.446 329 HA GLU 43 HA GLU 43 -5.098 -8.828 2.184 330 1HB GLU 43 2HB GLU 43 -3.042 -9.866 0.182 331 2HB GLU 43 3HB GLU 43 -4.079 -10.991 1.003 332 1HG GLU 43 2HG GLU 43 -6.050 -10.053 0.054 333 2HG GLU 43 3HG GLU 43 -5.259 -8.494 -0.250 334 H SER 44 H SER 44 -4.440 -8.464 4.419 335 HA SER 44 HA SER 44 -2.623 -10.404 5.561 336 1HB SER 44 2HB SER 44 -1.258 -8.456 4.462 337 2HB SER 44 3HB SER 44 -1.910 -7.451 5.763 338 HG SER 44 HG SER 44 -0.485 -9.905 6.133 339 H GLU 45 H GLU 45 -2.533 -9.983 7.972 340 HA GLU 45 HA GLU 45 -5.133 -9.960 8.962 341 1HB GLU 45 2HB GLU 45 -2.511 -9.539 10.461 342 2HB GLU 45 3HB GLU 45 -4.053 -10.025 11.175 343 1HG GLU 45 2HG GLU 45 -4.058 -12.085 9.791 344 2HG GLU 45 3HG GLU 45 -2.483 -11.648 9.108 345 H HIS 46 H HIS 46 -2.963 -7.232 8.567 346 HA HIS 46 HA HIS 46 -3.882 -5.688 10.791 347 1HB HIS 46 2HB HIS 46 -2.576 -4.727 8.226 348 2HB HIS 46 3HB HIS 46 -2.636 -3.852 9.755 349 HD1 HIS 46 1HD HIS 46 -1.219 -5.105 11.854 350 HD2 HIS 46 2HD HIS 46 -0.571 -6.394 7.903 351 HE1 HIS 46 1HE HIS 46 0.982 -6.395 11.859 352 H SER 47 H SER 47 -5.235 -3.667 10.792 353 HA SER 47 HA SER 47 -7.577 -4.063 9.067 354 1HB SER 47 2HB SER 47 -7.766 -3.382 11.496 355 2HB SER 47 3HB SER 47 -7.203 -1.771 10.998 356 HG SER 47 HG SER 47 -9.185 -1.447 10.350 357 H MET 48 H MET 48 -8.534 -2.188 8.025 358 HA MET 48 HA MET 48 -6.894 -1.209 5.879 359 1HB MET 48 2HB MET 48 -9.494 0.026 6.908 360 2HB MET 48 3HB MET 48 -8.785 0.148 5.282 361 1HG MET 48 2HG MET 48 -8.981 -2.430 5.229 362 2HG MET 48 3HG MET 48 -10.076 -2.258 6.610 363 1HE MET 48 1HE MET 48 -12.305 -0.704 6.481 364 2HE MET 48 2HE MET 48 -11.471 0.624 5.632 365 3HE MET 48 3HE MET 48 -12.949 -0.079 4.943 366 H ASP 49 H ASP 49 -8.092 0.153 8.926 367 HA ASP 49 HA ASP 49 -7.143 2.763 8.794 368 1HB ASP 49 2HB ASP 49 -7.167 1.153 11.386 369 2HB ASP 49 3HB ASP 49 -7.588 2.847 11.122 370 H THR 50 H THR 50 -5.702 -0.059 10.255 371 HA THR 50 HA THR 50 -3.275 0.910 11.197 372 HB THR 50 HB THR 50 -3.603 -1.845 9.958 373 HG1 THR 50 1HG THR 50 -4.797 -0.929 12.352 374 1HG2 THR 50 1HG2 THR 50 -1.482 -1.406 11.078 375 2HG2 THR 50 2HG2 THR 50 -2.322 -0.878 12.551 376 3HG2 THR 50 3HG2 THR 50 -2.430 -2.569 12.018 377 H LEU 51 H LEU 51 -4.013 -0.603 8.008 378 HA LEU 51 HA LEU 51 -1.362 -0.266 6.959 379 1HB LEU 51 2HB LEU 51 -4.017 -0.481 5.486 380 2HB LEU 51 3HB LEU 51 -2.408 -0.616 4.748 381 HG LEU 51 HG LEU 51 -3.429 -2.427 7.022 382 1HD1 LEU 51 1HD1 LEU 51 -3.839 -4.135 5.298 383 2HD1 LEU 51 2HD1 LEU 51 -4.898 -2.726 5.142 384 3HD1 LEU 51 3HD1 LEU 51 -3.524 -2.916 4.042 385 1HD2 LEU 51 1HD2 LEU 51 -1.618 -3.943 6.197 386 2HD2 LEU 51 2HD2 LEU 51 -1.014 -2.588 5.215 387 3HD2 LEU 51 3HD2 LEU 51 -1.046 -2.474 6.984 388 H LEU 52 H LEU 52 -4.344 1.625 6.313 389 HA LEU 52 HA LEU 52 -3.338 3.631 4.714 390 1HB LEU 52 2HB LEU 52 -5.542 3.483 6.734 391 2HB LEU 52 3HB LEU 52 -5.161 5.051 6.023 392 HG LEU 52 HG LEU 52 -5.591 2.602 4.302 393 1HD1 LEU 52 1HD1 LEU 52 -7.952 3.225 4.042 394 2HD1 LEU 52 2HD1 LEU 52 -7.593 2.793 5.716 395 3HD1 LEU 52 3HD1 LEU 52 -7.763 4.503 5.264 396 1HD2 LEU 52 1HD2 LEU 52 -6.237 4.313 2.608 397 2HD2 LEU 52 2HD2 LEU 52 -5.990 5.596 3.800 398 3HD2 LEU 52 3HD2 LEU 52 -4.616 4.641 3.216 399 H ALA 53 H ALA 53 -3.470 3.711 8.305 400 HA ALA 53 HA ALA 53 -2.117 6.186 8.623 401 1HB ALA 53 1HB ALA 53 -1.731 5.402 10.942 402 2HB ALA 53 2HB ALA 53 -3.391 5.029 10.430 403 3HB ALA 53 3HB ALA 53 -2.162 3.745 10.464 404 H THR 54 H THR 54 -0.753 2.940 8.089 405 HA THR 54 HA THR 54 1.908 4.019 8.446 406 HB THR 54 HB THR 54 1.089 1.465 8.454 407 HG1 THR 54 1HG THR 54 3.454 1.227 8.588 408 1HG2 THR 54 1HG2 THR 54 2.495 0.366 6.734 409 2HG2 THR 54 2HG2 THR 54 1.167 1.249 6.012 410 3HG2 THR 54 3HG2 THR 54 2.813 1.943 6.014 411 H LEU 55 H LEU 55 0.137 2.982 5.528 412 HA LEU 55 HA LEU 55 2.211 3.752 3.827 413 1HB LEU 55 2HB LEU 55 0.739 3.395 1.985 414 2HB LEU 55 3HB LEU 55 0.742 2.144 3.188 415 HG LEU 55 HG LEU 55 -1.408 2.947 4.053 416 1HD1 LEU 55 1HD1 LEU 55 -2.540 4.341 2.010 417 2HD1 LEU 55 2HD1 LEU 55 -1.778 5.117 3.402 418 3HD1 LEU 55 3HD1 LEU 55 -0.840 4.904 1.914 419 1HD2 LEU 55 1HD2 LEU 55 -1.255 2.141 1.129 420 2HD2 LEU 55 2HD2 LEU 55 -1.183 1.046 2.526 421 3HD2 LEU 55 3HD2 LEU 55 -2.673 1.944 2.190 422 H LYS 56 H LYS 56 -0.448 5.664 4.908 423 HA LYS 56 HA LYS 56 -0.388 7.980 3.517 424 1HB LYS 56 2HB LYS 56 -0.663 7.283 6.429 425 2HB LYS 56 3HB LYS 56 -0.490 8.979 6.099 426 1HG LYS 56 2HG LYS 56 -2.368 8.982 4.532 427 2HG LYS 56 3HG LYS 56 -2.573 7.228 4.734 428 1HD LYS 56 2HD LYS 56 -2.938 7.534 7.137 429 2HD LYS 56 3HD LYS 56 -2.699 9.282 6.984 430 1HE LYS 56 2HE LYS 56 -4.698 9.413 5.475 431 2HE LYS 56 3HE LYS 56 -4.919 7.661 5.608 432 1HZ LYS 56 1HZ LYS 56 -6.384 8.850 7.067 433 2HZ LYS 56 2HZ LYS 56 -5.335 7.954 7.958 434 3HZ LYS 56 3HZ LYS 56 -5.131 9.584 7.833 435 H LYS 57 H LYS 57 2.152 7.003 5.819 436 HA LYS 57 HA LYS 57 3.570 9.415 6.091 437 1HB LYS 57 2HB LYS 57 4.226 6.529 6.203 438 2HB LYS 57 3HB LYS 57 5.577 7.683 6.306 439 1HG LYS 57 2HG LYS 57 4.532 8.756 8.225 440 2HG LYS 57 3HG LYS 57 3.110 7.723 8.056 441 1HD LYS 57 2HD LYS 57 5.903 6.588 8.615 442 2HD LYS 57 3HD LYS 57 4.765 7.055 9.901 443 1HE LYS 57 2HE LYS 57 3.034 5.647 8.865 444 2HE LYS 57 3HE LYS 57 4.229 4.994 7.706 445 1HZ LYS 57 1HZ LYS 57 5.420 4.074 9.571 446 2HZ LYS 57 2HZ LYS 57 4.207 4.544 10.592 447 3HZ LYS 57 3HZ LYS 57 3.904 3.464 9.378 448 H THR 58 H THR 58 3.420 7.367 3.142 449 HA THR 58 HA THR 58 5.903 8.313 2.046 450 HB THR 58 HB THR 58 4.906 7.691 -0.145 451 HG1 THR 58 1HG THR 58 2.656 8.196 0.619 452 1HG2 THR 58 1HG2 THR 58 4.493 5.695 2.094 453 2HG2 THR 58 2HG2 THR 58 4.659 5.294 0.370 454 3HG2 THR 58 3HG2 THR 58 6.028 6.015 1.256 455 H GLY 59 H GLY 59 2.732 9.821 2.394 456 1HA GLY 59 2HA GLY 59 1.862 11.777 1.643 457 2HA GLY 59 3HA GLY 59 3.534 12.385 1.650 458 H LYS 60 H LYS 60 1.526 10.118 -0.306 459 HA LYS 60 HA LYS 60 2.175 11.486 -2.837 460 1HB LYS 60 2HB LYS 60 2.451 8.497 -2.249 461 2HB LYS 60 3HB LYS 60 2.621 9.224 -3.844 462 1HG LYS 60 2HG LYS 60 4.386 9.788 -1.423 463 2HG LYS 60 3HG LYS 60 4.779 8.665 -2.684 464 1HD LYS 60 2HD LYS 60 5.080 10.325 -4.332 465 2HD LYS 60 3HD LYS 60 4.261 11.574 -3.404 466 1HE LYS 60 2HE LYS 60 6.943 10.335 -2.637 467 2HE LYS 60 3HE LYS 60 6.684 11.893 -3.428 468 1HZ LYS 60 1HZ LYS 60 5.240 12.406 -1.405 469 2HZ LYS 60 2HZ LYS 60 5.956 11.157 -0.671 470 3HZ LYS 60 3HZ LYS 60 6.884 12.411 -1.185 471 H THR 61 H THR 61 0.776 10.280 -4.607 472 HA THR 61 HA THR 61 -1.914 10.538 -3.867 473 HB THR 61 HB THR 61 -1.132 9.210 -6.388 474 HG1 THR 61 1HG THR 61 0.427 10.402 -6.939 475 1HG2 THR 61 1HG2 THR 61 -2.489 11.885 -5.803 476 2HG2 THR 61 2HG2 THR 61 -2.392 11.110 -7.394 477 3HG2 THR 61 3HG2 THR 61 -3.331 10.344 -6.097 478 H VAL 62 H VAL 62 -1.032 8.565 -2.201 479 HA VAL 62 HA VAL 62 -2.061 5.992 -3.216 480 HB VAL 62 HB VAL 62 -0.039 5.740 -2.059 481 1HG1 VAL 62 1HG1 VAL 62 0.293 6.309 0.310 482 2HG1 VAL 62 2HG1 VAL 62 0.064 7.757 -0.663 483 3HG1 VAL 62 3HG1 VAL 62 -1.265 7.153 0.350 484 1HG2 VAL 62 1HG2 VAL 62 -0.684 4.108 -0.402 485 2HG2 VAL 62 2HG2 VAL 62 -2.277 4.870 -0.191 486 3HG2 VAL 62 3HG2 VAL 62 -1.882 4.060 -1.707 487 H SER 63 H SER 63 -4.141 5.308 -2.747 488 HA SER 63 HA SER 63 -5.403 6.186 -0.294 489 1HB SER 63 2HB SER 63 -5.982 8.092 -1.819 490 2HB SER 63 3HB SER 63 -6.793 6.933 -2.898 491 HG SER 63 HG SER 63 -8.243 7.887 -1.374 492 H TYR 64 H TYR 64 -7.619 5.178 -0.157 493 HA TYR 64 HA TYR 64 -7.234 2.280 -0.765 494 1HB TYR 64 2HB TYR 64 -7.287 2.602 1.542 495 2HB TYR 64 3HB TYR 64 -8.479 3.892 1.447 496 HD1 TYR 64 HD1 TYR 64 -8.089 0.179 1.007 497 HD2 TYR 64 HD2 TYR 64 -10.777 3.486 1.689 498 HE1 TYR 64 HE1 TYR 64 -9.977 -1.399 1.295 499 HE2 TYR 64 HE2 TYR 64 -12.660 1.914 1.919 500 HH TYR 64 HH TYR 64 -13.340 -0.271 1.789 501 H LEU 65 H LEU 65 -8.721 1.156 -2.032 502 HA LEU 65 HA LEU 65 -11.471 1.993 -2.077 503 1HB LEU 65 2HB LEU 65 -11.662 2.147 -4.492 504 2HB LEU 65 3HB LEU 65 -10.790 3.455 -3.722 505 HG LEU 65 HG LEU 65 -9.488 3.278 -5.478 506 1HD1 LEU 65 1HD1 LEU 65 -8.225 1.003 -3.979 507 2HD1 LEU 65 2HD1 LEU 65 -7.531 1.885 -5.330 508 3HD1 LEU 65 3HD1 LEU 65 -7.884 2.762 -3.813 509 1HD2 LEU 65 1HD2 LEU 65 -10.873 1.252 -6.433 510 2HD2 LEU 65 2HD2 LEU 65 -9.217 1.563 -7.008 511 3HD2 LEU 65 3HD2 LEU 65 -9.488 0.305 -5.808 512 H GLY 66 H GLY 66 -11.429 -0.162 -0.934 513 1HA GLY 66 2HA GLY 66 -13.143 -1.752 -2.074 514 2HA GLY 66 3HA GLY 66 -11.723 -2.379 -2.917 515 H LEU 67 H LEU 67 -13.666 -3.071 -0.386 516 HA LEU 67 HA LEU 67 -11.582 -4.390 1.253 517 1HB LEU 67 2HB LEU 67 -12.746 -2.999 2.746 518 2HB LEU 67 3HB LEU 67 -14.233 -3.050 1.795 519 HG LEU 67 HG LEU 67 -14.660 -5.336 2.495 520 1HD1 LEU 67 1HD1 LEU 67 -12.274 -6.022 3.048 521 2HD1 LEU 67 2HD1 LEU 67 -12.333 -4.897 4.424 522 3HD1 LEU 67 3HD1 LEU 67 -13.390 -6.322 4.388 523 1HD2 LEU 67 1HD2 LEU 67 -14.248 -3.353 4.770 524 2HD2 LEU 67 2HD2 LEU 67 -15.662 -3.452 3.699 525 3HD2 LEU 67 3HD2 LEU 67 -15.307 -4.779 4.818 526 H GLU 68 H GLU 68 -11.564 -6.641 0.720 527 HA GLU 68 HA GLU 68 -14.003 -7.888 -0.359 528 1HB GLU 68 2HB GLU 68 -11.081 -7.756 -1.255 529 2HB GLU 68 3HB GLU 68 -12.085 -9.153 -1.530 530 1HG GLU 68 2HG GLU 68 -13.711 -7.186 -2.542 531 2HG GLU 68 3HG GLU 68 -12.147 -6.401 -2.752 Start of MODEL 18 1 1H MET 1 H1 MET 1 -6.472 -10.174 6.538 2 2H MET 1 H2 MET 1 -6.585 -11.165 7.842 3 3H MET 1 H3 MET 1 -6.746 -11.687 6.248 4 HA MET 1 HA MET 1 -8.919 -11.479 7.504 5 1HB MET 1 2HB MET 1 -9.678 -9.302 8.102 6 2HB MET 1 3HB MET 1 -8.030 -9.421 8.627 7 1HG MET 1 2HG MET 1 -7.373 -8.281 6.381 8 2HG MET 1 3HG MET 1 -9.044 -7.757 6.321 9 1HE MET 1 1HE MET 1 -9.615 -7.304 9.504 10 2HE MET 1 2HE MET 1 -9.280 -5.561 9.574 11 3HE MET 1 3HE MET 1 -10.176 -6.235 8.190 12 HA PRO 2 HA PRO 2 -9.982 -10.890 3.020 13 1HB PRO 2 2HB PRO 2 -11.394 -8.661 2.419 14 2HB PRO 2 3HB PRO 2 -12.161 -10.141 3.074 15 1HG PRO 2 2HG PRO 2 -11.320 -7.653 4.590 16 2HG PRO 2 3HG PRO 2 -12.871 -8.534 4.723 17 1HD PRO 2 2HD PRO 2 -10.933 -8.899 6.507 18 2HD PRO 2 3HD PRO 2 -11.826 -10.319 5.925 19 H LYS 3 H LYS 3 -9.151 -9.591 1.178 20 HA LYS 3 HA LYS 3 -6.822 -7.986 2.101 21 1HB LYS 3 2HB LYS 3 -6.221 -7.920 -0.366 22 2HB LYS 3 3HB LYS 3 -5.934 -9.416 0.505 23 1HG LYS 3 2HG LYS 3 -7.769 -10.500 -0.353 24 2HG LYS 3 3HG LYS 3 -8.558 -8.979 -0.784 25 1HD LYS 3 2HD LYS 3 -6.113 -10.055 -2.254 26 2HD LYS 3 3HD LYS 3 -7.796 -10.277 -2.777 27 1HE LYS 3 2HE LYS 3 -8.005 -7.670 -2.593 28 2HE LYS 3 3HE LYS 3 -6.241 -7.666 -2.558 29 1HZ LYS 3 1HZ LYS 3 -7.163 -7.321 -4.704 30 2HZ LYS 3 2HZ LYS 3 -6.296 -8.728 -4.728 31 3HZ LYS 3 3HZ LYS 3 -7.948 -8.772 -4.683 32 H HIS 4 H HIS 4 -6.433 -5.978 0.913 33 HA HIS 4 HA HIS 4 -8.905 -4.380 0.554 34 1HB HIS 4 2HB HIS 4 -7.208 -2.779 2.028 35 2HB HIS 4 3HB HIS 4 -8.613 -3.661 2.618 36 HD1 HIS 4 1HD HIS 4 -7.885 -6.334 3.634 37 HD2 HIS 4 2HD HIS 4 -5.039 -3.226 3.377 38 HE1 HIS 4 1HE HIS 4 -5.963 -6.964 5.143 39 H GLU 5 H GLU 5 -8.758 -2.743 -0.907 40 HA GLU 5 HA GLU 5 -6.469 -3.010 -2.810 41 1HB GLU 5 2HB GLU 5 -9.387 -2.223 -3.014 42 2HB GLU 5 3HB GLU 5 -8.284 -2.076 -4.373 43 1HG GLU 5 2HG GLU 5 -8.678 -4.736 -2.913 44 2HG GLU 5 3HG GLU 5 -9.775 -4.184 -4.177 45 H PHE 6 H PHE 6 -5.351 -1.164 -3.554 46 HA PHE 6 HA PHE 6 -6.280 1.507 -2.675 47 1HB PHE 6 2HB PHE 6 -3.451 0.377 -2.382 48 2HB PHE 6 3HB PHE 6 -3.934 1.996 -1.944 49 HD1 PHE 6 1HD PHE 6 -4.437 -1.628 -1.106 50 HD2 PHE 6 2HD PHE 6 -4.487 2.438 0.372 51 HE1 PHE 6 1HE PHE 6 -4.793 -2.455 1.178 52 HE2 PHE 6 2HE PHE 6 -4.650 1.573 2.666 53 HZ PHE 6 HZ PHE 6 -4.914 -0.849 3.091 54 H SER 7 H SER 7 -5.843 3.125 -4.132 55 HA SER 7 HA SER 7 -4.453 2.415 -6.684 56 1HB SER 7 2HB SER 7 -6.698 3.587 -6.748 57 2HB SER 7 3HB SER 7 -5.895 5.006 -6.030 58 HG SER 7 HG SER 7 -4.510 4.996 -7.880 59 H VAL 8 H VAL 8 -2.568 3.636 -7.343 60 HA VAL 8 HA VAL 8 -1.180 5.095 -5.148 61 HB VAL 8 HB VAL 8 -0.225 2.812 -6.923 62 1HG1 VAL 8 1HG1 VAL 8 1.607 4.297 -6.418 63 2HG1 VAL 8 2HG1 VAL 8 1.157 4.382 -4.701 64 3HG1 VAL 8 3HG1 VAL 8 1.783 2.870 -5.400 65 1HG2 VAL 8 1HG2 VAL 8 -0.030 1.589 -4.746 66 2HG2 VAL 8 2HG2 VAL 8 -0.893 2.910 -3.951 67 3HG2 VAL 8 3HG2 VAL 8 -1.702 1.920 -5.183 68 H ASP 9 H ASP 9 0.015 6.830 -5.759 69 HA ASP 9 HA ASP 9 0.383 7.579 -8.589 70 1HB ASP 9 2HB ASP 9 0.357 9.492 -7.253 71 2HB ASP 9 3HB ASP 9 1.202 8.698 -5.903 72 H MET 10 H MET 10 1.839 6.597 -9.810 73 HA MET 10 HA MET 10 4.346 5.520 -8.591 74 1HB MET 10 2HB MET 10 2.827 4.376 -10.958 75 2HB MET 10 3HB MET 10 4.353 3.789 -10.284 76 1HG MET 10 2HG MET 10 3.066 3.562 -8.040 77 2HG MET 10 3HG MET 10 1.602 3.653 -9.022 78 1HE MET 10 1HE MET 10 2.548 1.170 -7.050 79 2HE MET 10 2HE MET 10 0.985 1.231 -7.904 80 3HE MET 10 3HE MET 10 2.024 -0.188 -8.075 81 H THR 11 H THR 11 4.150 8.206 -9.338 82 HA THR 11 HA THR 11 5.172 8.490 -12.010 83 HB THR 11 HB THR 11 5.320 10.413 -9.653 84 HG1 THR 11 1HG THR 11 3.230 9.880 -10.039 85 1HG2 THR 11 1HG2 THR 11 5.233 12.155 -11.461 86 2HG2 THR 11 2HG2 THR 11 6.751 11.253 -11.460 87 3HG2 THR 11 3HG2 THR 11 5.497 10.880 -12.666 88 H CYS 12 H CYS 12 6.779 7.159 -9.261 89 HA CYS 12 HA CYS 12 9.201 7.183 -10.968 90 1HB CYS 12 2HB CYS 12 9.665 8.775 -9.141 91 2HB CYS 12 3HB CYS 12 9.163 7.561 -7.937 92 HG CYS 12 HG CYS 12 11.583 7.377 -10.175 93 H GLY 13 H GLY 13 9.983 5.057 -11.150 94 1HA GLY 13 2HA GLY 13 8.389 2.833 -10.547 95 2HA GLY 13 3HA GLY 13 10.144 2.786 -10.804 96 H GLY 14 H GLY 14 11.000 4.349 -8.663 97 1HA GLY 14 2HA GLY 14 11.131 2.551 -6.530 98 2HA GLY 14 3HA GLY 14 11.616 4.260 -6.458 99 H CYS 15 H CYS 15 8.439 4.550 -7.274 100 HA CYS 15 HA CYS 15 7.172 4.990 -4.869 101 1HB CYS 15 2HB CYS 15 5.092 4.502 -5.917 102 2HB CYS 15 3HB CYS 15 6.122 5.410 -7.027 103 HG CYS 15 HG CYS 15 6.917 3.320 -8.393 104 H ALA 16 H ALA 16 7.841 1.873 -6.556 105 HA ALA 16 HA ALA 16 6.400 0.194 -4.775 106 1HB ALA 16 1HB ALA 16 7.698 -1.628 -5.839 107 2HB ALA 16 2HB ALA 16 7.099 -0.481 -7.054 108 3HB ALA 16 3HB ALA 16 8.804 -0.434 -6.555 109 H GLU 17 H GLU 17 9.792 1.325 -4.761 110 HA GLU 17 HA GLU 17 10.659 -0.242 -2.519 111 1HB GLU 17 2HB GLU 17 11.620 2.501 -3.459 112 2HB GLU 17 3HB GLU 17 12.452 1.421 -2.345 113 1HG GLU 17 2HG GLU 17 12.796 -0.242 -4.065 114 2HG GLU 17 3HG GLU 17 11.834 0.690 -5.224 115 H ALA 18 H ALA 18 9.155 2.988 -2.901 116 HA ALA 18 HA ALA 18 9.350 3.794 -0.181 117 1HB ALA 18 1HB ALA 18 7.619 5.423 -0.689 118 2HB ALA 18 2HB ALA 18 8.778 5.335 -2.032 119 3HB ALA 18 3HB ALA 18 7.181 4.570 -2.174 120 H VAL 19 H VAL 19 6.603 2.271 -1.929 121 HA VAL 19 HA VAL 19 4.967 1.912 0.351 122 HB VAL 19 HB VAL 19 5.065 0.311 -2.230 123 1HG1 VAL 19 1HG1 VAL 19 3.964 -1.022 -0.444 124 2HG1 VAL 19 2HG1 VAL 19 2.979 0.386 0.004 125 3HG1 VAL 19 3HG1 VAL 19 2.762 -0.405 -1.570 126 1HG2 VAL 19 1HG2 VAL 19 3.186 2.528 -1.270 127 2HG2 VAL 19 2HG2 VAL 19 4.475 2.756 -2.462 128 3HG2 VAL 19 3HG2 VAL 19 3.116 1.688 -2.832 129 H SER 20 H SER 20 7.226 -0.427 -1.238 130 HA SER 20 HA SER 20 6.809 -2.553 0.507 131 1HB SER 20 2HB SER 20 8.128 -2.594 -1.633 132 2HB SER 20 3HB SER 20 9.454 -1.759 -0.805 133 HG SER 20 HG SER 20 9.853 -3.947 -0.766 134 H ARG 21 H ARG 21 9.298 0.035 0.860 135 HA ARG 21 HA ARG 21 10.341 -0.815 3.317 136 1HB ARG 21 2HB ARG 21 10.113 1.909 2.010 137 2HB ARG 21 3HB ARG 21 11.044 1.622 3.496 138 1HG ARG 21 2HG ARG 21 12.486 0.035 2.419 139 2HG ARG 21 3HG ARG 21 11.503 -0.049 0.980 140 1HD ARG 21 2HD ARG 21 13.502 1.204 0.534 141 2HD ARG 21 3HD ARG 21 12.097 2.211 0.302 142 HE ARG 21 HE ARG 21 14.190 2.356 2.404 143 1HH1 ARG 21 2HH2 ARG 21 11.116 3.661 1.289 144 2HH1 ARG 21 1HH2 ARG 21 11.323 5.230 2.008 145 1HH2 ARG 21 2HH1 ARG 21 14.505 4.413 3.397 146 2HH2 ARG 21 1HH1 ARG 21 13.290 5.642 3.278 147 H VAL 22 H VAL 22 7.699 1.755 2.874 148 HA VAL 22 HA VAL 22 7.424 2.034 5.647 149 HB VAL 22 HB VAL 22 6.722 3.568 3.717 150 1HG1 VAL 22 1HG1 VAL 22 4.135 1.990 3.938 151 2HG1 VAL 22 2HG1 VAL 22 4.409 3.439 2.960 152 3HG1 VAL 22 3HG1 VAL 22 5.250 1.954 2.548 153 1HG2 VAL 22 1HG2 VAL 22 4.928 4.567 5.035 154 2HG2 VAL 22 2HG2 VAL 22 4.828 3.077 6.005 155 3HG2 VAL 22 3HG2 VAL 22 6.319 4.066 6.036 156 H LEU 23 H LEU 23 5.685 -0.199 3.372 157 HA LEU 23 HA LEU 23 3.982 -1.279 5.328 158 1HB LEU 23 2HB LEU 23 5.093 -2.219 2.658 159 2HB LEU 23 3HB LEU 23 4.165 -3.294 3.680 160 HG LEU 23 HG LEU 23 2.845 -2.115 1.887 161 1HD1 LEU 23 1HD1 LEU 23 1.759 -3.375 3.559 162 2HD1 LEU 23 2HD1 LEU 23 2.113 -2.177 4.830 163 3HD1 LEU 23 3HD1 LEU 23 0.938 -1.795 3.575 164 1HD2 LEU 23 1HD2 LEU 23 2.845 0.110 3.937 165 2HD2 LEU 23 2HD2 LEU 23 3.644 0.197 2.348 166 3HD2 LEU 23 3HD2 LEU 23 1.889 0.032 2.442 167 H ASN 24 H ASN 24 7.349 -2.275 4.414 168 HA ASN 24 HA ASN 24 7.404 -4.498 6.220 169 1HB ASN 24 2HB ASN 24 9.486 -2.813 4.792 170 2HB ASN 24 3HB ASN 24 9.947 -3.912 6.078 171 1HD2 ASN 24 1HD2 ASN 24 8.123 -3.855 3.021 172 2HD2 ASN 24 2HD2 ASN 24 8.450 -5.515 2.579 173 H LYS 25 H LYS 25 8.029 -1.009 6.628 174 HA LYS 25 HA LYS 25 8.895 -1.205 9.377 175 1HB LYS 25 2HB LYS 25 7.593 1.019 7.750 176 2HB LYS 25 3HB LYS 25 7.969 1.193 9.446 177 1HG LYS 25 2HG LYS 25 9.955 0.653 7.182 178 2HG LYS 25 3HG LYS 25 9.707 2.158 8.061 179 1HD LYS 25 2HD LYS 25 11.465 1.472 9.311 180 2HD LYS 25 3HD LYS 25 10.238 0.544 10.174 181 1HE LYS 25 2HE LYS 25 10.816 -1.342 8.347 182 2HE LYS 25 3HE LYS 25 12.243 -0.358 8.050 183 1HZ LYS 25 1HZ LYS 25 12.659 -2.090 9.636 184 2HZ LYS 25 2HZ LYS 25 12.815 -0.635 10.387 185 3HZ LYS 25 3HZ LYS 25 11.470 -1.558 10.632 186 H LEU 26 H LEU 26 5.636 -0.858 7.961 187 HA LEU 26 HA LEU 26 4.284 -0.860 10.434 188 1HB LEU 26 2HB LEU 26 3.480 -0.496 8.051 189 2HB LEU 26 3HB LEU 26 3.172 -2.197 7.924 190 HG LEU 26 HG LEU 26 1.222 -0.665 8.487 191 1HD1 LEU 26 1HD1 LEU 26 1.672 -2.948 10.443 192 2HD1 LEU 26 2HD1 LEU 26 0.121 -2.288 9.894 193 3HD1 LEU 26 3HD1 LEU 26 1.175 -3.143 8.748 194 1HD2 LEU 26 1HD2 LEU 26 2.387 0.664 10.311 195 2HD2 LEU 26 2HD2 LEU 26 0.782 0.040 10.714 196 3HD2 LEU 26 3HD2 LEU 26 2.222 -0.762 11.355 197 H GLY 27 H GLY 27 5.053 -3.633 8.293 198 1HA GLY 27 2HA GLY 27 6.472 -5.197 9.424 199 2HA GLY 27 3HA GLY 27 5.383 -5.128 10.795 200 H GLY 28 H GLY 28 3.225 -6.312 10.559 201 1HA GLY 28 2HA GLY 28 3.956 -8.966 9.506 202 2HA GLY 28 3HA GLY 28 2.632 -8.545 10.604 203 H VAL 29 H VAL 29 3.658 -7.750 7.266 204 HA VAL 29 HA VAL 29 0.782 -7.770 6.423 205 HB VAL 29 HB VAL 29 1.823 -5.570 7.139 206 1HG1 VAL 29 1HG1 VAL 29 4.099 -5.797 6.331 207 2HG1 VAL 29 2HG1 VAL 29 3.542 -5.924 4.665 208 3HG1 VAL 29 3HG1 VAL 29 3.308 -4.418 5.567 209 1HG2 VAL 29 1HG2 VAL 29 0.935 -5.659 4.250 210 2HG2 VAL 29 2HG2 VAL 29 -0.138 -5.673 5.675 211 3HG2 VAL 29 3HG2 VAL 29 0.887 -4.284 5.389 212 H LYS 30 H LYS 30 0.307 -8.362 4.245 213 HA LYS 30 HA LYS 30 2.688 -8.778 2.504 214 1HB LYS 30 2HB LYS 30 1.766 -10.955 2.961 215 2HB LYS 30 3HB LYS 30 0.140 -10.409 2.512 216 1HG LYS 30 2HG LYS 30 1.278 -11.729 0.756 217 2HG LYS 30 3HG LYS 30 0.787 -10.131 0.188 218 1HD LYS 30 2HD LYS 30 3.030 -9.331 0.066 219 2HD LYS 30 3HD LYS 30 3.598 -10.502 1.268 220 1HE LYS 30 2HE LYS 30 4.469 -11.104 -0.890 221 2HE LYS 30 3HE LYS 30 3.341 -12.338 -0.308 222 1HZ LYS 30 1HZ LYS 30 1.651 -11.015 -1.804 223 2HZ LYS 30 2HZ LYS 30 2.901 -10.392 -2.513 224 3HZ LYS 30 3HZ LYS 30 2.745 -12.007 -2.533 225 H TYR 31 H TYR 31 2.742 -7.148 1.277 226 HA TYR 31 HA TYR 31 0.318 -5.883 0.101 227 1HB TYR 31 2HB TYR 31 1.828 -3.993 -0.417 228 2HB TYR 31 3HB TYR 31 1.637 -4.269 1.309 229 HD1 TYR 31 HD1 TYR 31 3.994 -4.360 -1.512 230 HD2 TYR 31 HD2 TYR 31 3.450 -5.334 2.619 231 HE1 TYR 31 HE1 TYR 31 6.422 -4.870 -1.319 232 HE2 TYR 31 HE2 TYR 31 5.867 -5.892 2.823 233 HH TYR 31 HH TYR 31 8.168 -5.159 0.296 234 H ASP 32 H ASP 32 0.200 -5.830 -2.118 235 HA ASP 32 HA ASP 32 2.334 -7.095 -3.749 236 1HB ASP 32 2HB ASP 32 -0.565 -7.867 -3.367 237 2HB ASP 32 3HB ASP 32 0.181 -8.085 -4.955 238 H ILE 33 H ILE 33 2.945 -5.687 -5.145 239 HA ILE 33 HA ILE 33 1.436 -3.194 -5.560 240 HB ILE 33 HB ILE 33 4.294 -4.020 -6.176 241 1HG1 ILE 33 2HG1 ILE 33 4.002 -1.956 -4.132 242 2HG1 ILE 33 3HG1 ILE 33 3.112 -3.391 -3.639 243 1HG2 ILE 33 1HG2 ILE 33 2.995 -1.271 -6.215 244 2HG2 ILE 33 2HG2 ILE 33 4.729 -1.598 -6.414 245 3HG2 ILE 33 3HG2 ILE 33 3.585 -2.168 -7.634 246 1HD1 ILE 33 1HD1 ILE 33 5.525 -3.323 -2.920 247 2HD1 ILE 33 2HD1 ILE 33 5.077 -4.784 -3.830 248 3HD1 ILE 33 3HD1 ILE 33 5.998 -3.472 -4.616 249 H ASP 34 H ASP 34 0.080 -3.210 -7.301 250 HA ASP 34 HA ASP 34 0.772 -4.693 -9.775 251 1HB ASP 34 2HB ASP 34 -1.554 -4.769 -8.995 252 2HB ASP 34 3HB ASP 34 -1.627 -3.000 -9.071 253 H LEU 35 H LEU 35 2.483 -3.643 -10.633 254 HA LEU 35 HA LEU 35 2.751 -0.801 -10.564 255 1HB LEU 35 2HB LEU 35 4.597 -2.673 -10.752 256 2HB LEU 35 3HB LEU 35 4.322 -2.487 -12.485 257 HG LEU 35 HG LEU 35 4.582 0.123 -11.880 258 1HD1 LEU 35 1HD1 LEU 35 6.171 0.536 -10.077 259 2HD1 LEU 35 2HD1 LEU 35 4.824 -0.385 -9.383 260 3HD1 LEU 35 3HD1 LEU 35 6.348 -1.198 -9.759 261 1HD2 LEU 35 1HD2 LEU 35 6.993 -0.045 -12.379 262 2HD2 LEU 35 2HD2 LEU 35 6.936 -1.798 -12.092 263 3HD2 LEU 35 3HD2 LEU 35 6.031 -1.083 -13.447 264 HA PRO 36 HA PRO 36 1.635 -0.975 -15.258 265 1HB PRO 36 2HB PRO 36 -0.261 -2.868 -16.051 266 2HB PRO 36 3HB PRO 36 1.500 -2.981 -16.297 267 1HG PRO 36 2HG PRO 36 -0.153 -4.197 -14.096 268 2HG PRO 36 3HG PRO 36 1.162 -4.957 -15.033 269 1HD PRO 36 2HD PRO 36 1.589 -4.028 -12.588 270 2HD PRO 36 3HD PRO 36 2.826 -3.744 -13.840 271 H ASN 37 H ASN 37 -0.910 -2.087 -12.924 272 HA ASN 37 HA ASN 37 -2.787 -0.092 -14.069 273 1HB ASN 37 2HB ASN 37 -3.224 -2.119 -11.870 274 2HB ASN 37 3HB ASN 37 -4.434 -1.081 -12.603 275 1HD2 ASN 37 1HD2 ASN 37 -2.955 -4.149 -12.851 276 2HD2 ASN 37 2HD2 ASN 37 -3.466 -4.527 -14.499 277 H LYS 38 H LYS 38 -0.353 -0.043 -11.673 278 HA LYS 38 HA LYS 38 0.215 1.419 -10.140 279 1HB LYS 38 2HB LYS 38 -1.793 3.336 -11.407 280 2HB LYS 38 3HB LYS 38 -0.621 3.710 -10.173 281 1HG LYS 38 2HG LYS 38 0.419 4.469 -12.078 282 2HG LYS 38 3HG LYS 38 1.243 2.974 -11.619 283 1HD LYS 38 2HD LYS 38 1.015 3.151 -14.019 284 2HD LYS 38 3HD LYS 38 0.175 1.746 -13.383 285 1HE LYS 38 2HE LYS 38 -2.004 2.981 -13.533 286 2HE LYS 38 3HE LYS 38 -1.146 4.391 -14.167 287 1HZ LYS 38 1HZ LYS 38 -0.539 3.053 -16.072 288 2HZ LYS 38 2HZ LYS 38 -1.176 1.701 -15.399 289 3HZ LYS 38 3HZ LYS 38 -2.172 2.933 -15.864 290 H LYS 39 H LYS 39 -1.079 -0.489 -9.121 291 HA LYS 39 HA LYS 39 -2.763 0.768 -7.019 292 1HB LYS 39 2HB LYS 39 -3.350 -1.881 -8.407 293 2HB LYS 39 3HB LYS 39 -4.088 -1.310 -6.907 294 1HG LYS 39 2HG LYS 39 -5.166 0.532 -8.054 295 2HG LYS 39 3HG LYS 39 -4.295 0.185 -9.554 296 1HD LYS 39 2HD LYS 39 -6.611 -0.666 -9.628 297 2HD LYS 39 3HD LYS 39 -5.407 -1.957 -9.810 298 1HE LYS 39 2HE LYS 39 -5.712 -2.643 -7.451 299 2HE LYS 39 3HE LYS 39 -6.809 -1.283 -7.165 300 1HZ LYS 39 1HZ LYS 39 -7.866 -3.362 -7.453 301 2HZ LYS 39 2HZ LYS 39 -8.360 -2.353 -8.657 302 3HZ LYS 39 3HZ LYS 39 -7.275 -3.574 -8.962 303 H VAL 40 H VAL 40 -2.671 -0.396 -4.979 304 HA VAL 40 HA VAL 40 -0.687 -2.560 -4.751 305 HB VAL 40 HB VAL 40 -1.159 -0.016 -3.183 306 1HG1 VAL 40 1HG1 VAL 40 -0.357 -2.637 -1.914 307 2HG1 VAL 40 2HG1 VAL 40 -0.104 -1.025 -1.186 308 3HG1 VAL 40 3HG1 VAL 40 -1.751 -1.571 -1.554 309 1HG2 VAL 40 1HG2 VAL 40 1.367 -1.649 -3.579 310 2HG2 VAL 40 2HG2 VAL 40 0.771 -0.484 -4.777 311 3HG2 VAL 40 3HG2 VAL 40 1.210 0.075 -3.150 312 H CYS 41 H CYS 41 -1.553 -4.285 -3.709 313 HA CYS 41 HA CYS 41 -4.231 -3.984 -2.453 314 1HB CYS 41 2HB CYS 41 -5.011 -6.007 -3.304 315 2HB CYS 41 3HB CYS 41 -4.378 -5.169 -4.729 316 HG CYS 41 HG CYS 41 -1.996 -6.403 -4.518 317 H ILE 42 H ILE 42 -4.388 -5.195 -0.484 318 HA ILE 42 HA ILE 42 -1.830 -6.397 0.459 319 HB ILE 42 HB ILE 42 -3.405 -4.316 2.008 320 1HG1 ILE 42 2HG1 ILE 42 -0.929 -3.822 0.318 321 2HG1 ILE 42 3HG1 ILE 42 -2.551 -3.149 0.066 322 1HG2 ILE 42 1HG2 ILE 42 -1.465 -4.254 3.487 323 2HG2 ILE 42 2HG2 ILE 42 -1.972 -5.922 3.311 324 3HG2 ILE 42 3HG2 ILE 42 -0.567 -5.328 2.402 325 1HD1 ILE 42 1HD1 ILE 42 -0.644 -2.524 2.307 326 2HD1 ILE 42 2HD1 ILE 42 -1.282 -1.430 1.075 327 3HD1 ILE 42 3HD1 ILE 42 -2.354 -2.051 2.346 328 H GLU 43 H GLU 43 -2.106 -8.064 1.929 329 HA GLU 43 HA GLU 43 -4.810 -8.394 3.120 330 1HB GLU 43 2HB GLU 43 -3.907 -10.260 1.406 331 2HB GLU 43 3HB GLU 43 -3.117 -10.835 2.877 332 1HG GLU 43 2HG GLU 43 -6.132 -10.364 2.481 333 2HG GLU 43 3HG GLU 43 -5.308 -11.916 2.601 334 H SER 44 H SER 44 -4.606 -8.699 5.454 335 HA SER 44 HA SER 44 -2.234 -9.525 6.688 336 1HB SER 44 2HB SER 44 -1.540 -7.168 6.269 337 2HB SER 44 3HB SER 44 -2.960 -6.604 7.164 338 HG SER 44 HG SER 44 -0.667 -8.017 8.140 339 H GLU 45 H GLU 45 -2.555 -9.167 9.138 340 HA GLU 45 HA GLU 45 -5.404 -9.442 9.971 341 1HB GLU 45 2HB GLU 45 -3.606 -11.007 10.871 342 2HB GLU 45 3HB GLU 45 -2.909 -9.610 11.709 343 1HG GLU 45 2HG GLU 45 -5.007 -9.321 12.973 344 2HG GLU 45 3HG GLU 45 -5.779 -10.613 12.033 345 H HIS 46 H HIS 46 -2.860 -7.165 9.413 346 HA HIS 46 HA HIS 46 -3.434 -5.279 11.517 347 1HB HIS 46 2HB HIS 46 -2.157 -4.910 8.777 348 2HB HIS 46 3HB HIS 46 -2.258 -3.660 10.012 349 HD1 HIS 46 1HD HIS 46 -1.105 -4.732 12.545 350 HD2 HIS 46 2HD HIS 46 0.279 -5.733 8.711 351 HE1 HIS 46 1HE HIS 46 1.362 -5.352 12.784 352 H SER 47 H SER 47 -4.944 -3.692 11.597 353 HA SER 47 HA SER 47 -7.203 -3.810 9.861 354 1HB SER 47 2HB SER 47 -7.405 -3.161 12.189 355 2HB SER 47 3HB SER 47 -6.406 -1.721 11.913 356 HG SER 47 HG SER 47 -8.073 -0.757 11.189 357 H MET 48 H MET 48 -8.008 -2.330 8.448 358 HA MET 48 HA MET 48 -6.202 -1.570 6.398 359 1HB MET 48 2HB MET 48 -9.075 -0.645 6.791 360 2HB MET 48 3HB MET 48 -8.158 -0.673 5.273 361 1HG MET 48 2HG MET 48 -7.930 -3.185 5.573 362 2HG MET 48 3HG MET 48 -9.073 -3.068 6.915 363 1HE MET 48 1HE MET 48 -12.350 -1.909 5.072 364 2HE MET 48 2HE MET 48 -11.586 -2.220 6.649 365 3HE MET 48 3HE MET 48 -11.120 -0.789 5.690 366 H ASP 49 H ASP 49 -7.863 0.256 8.912 367 HA ASP 49 HA ASP 49 -7.203 2.902 8.104 368 1HB ASP 49 2HB ASP 49 -7.892 3.578 10.262 369 2HB ASP 49 3HB ASP 49 -8.951 2.240 9.810 370 H THR 50 H THR 50 -5.711 0.680 10.286 371 HA THR 50 HA THR 50 -3.542 2.229 11.171 372 HB THR 50 HB THR 50 -3.745 -0.812 11.001 373 HG1 THR 50 1HG THR 50 -5.557 0.410 12.067 374 1HG2 THR 50 1HG2 THR 50 -2.351 -0.758 13.039 375 2HG2 THR 50 2HG2 THR 50 -1.492 -0.049 11.659 376 3HG2 THR 50 3HG2 THR 50 -2.207 1.005 12.901 377 H LEU 51 H LEU 51 -3.714 -0.206 8.519 378 HA LEU 51 HA LEU 51 -1.062 0.204 7.519 379 1HB LEU 51 2HB LEU 51 -3.629 -0.422 5.998 380 2HB LEU 51 3HB LEU 51 -2.003 -0.454 5.296 381 HG LEU 51 HG LEU 51 -2.820 -2.127 7.719 382 1HD1 LEU 51 1HD1 LEU 51 -4.287 -2.748 5.885 383 2HD1 LEU 51 2HD1 LEU 51 -2.907 -2.884 4.774 384 3HD1 LEU 51 3HD1 LEU 51 -3.084 -4.022 6.132 385 1HD2 LEU 51 1HD2 LEU 51 -0.559 -2.411 5.685 386 2HD2 LEU 51 2HD2 LEU 51 -0.375 -1.879 7.366 387 3HD2 LEU 51 3HD2 LEU 51 -0.892 -3.532 7.026 388 H LEU 52 H LEU 52 -4.124 1.680 6.384 389 HA LEU 52 HA LEU 52 -3.292 3.535 4.592 390 1HB LEU 52 2HB LEU 52 -5.508 3.354 6.513 391 2HB LEU 52 3HB LEU 52 -5.140 5.020 6.106 392 HG LEU 52 HG LEU 52 -5.701 2.851 4.065 393 1HD1 LEU 52 1HD1 LEU 52 -7.543 4.925 5.314 394 2HD1 LEU 52 2HD1 LEU 52 -7.960 3.871 3.948 395 3HD1 LEU 52 3HD1 LEU 52 -7.617 3.163 5.531 396 1HD2 LEU 52 1HD2 LEU 52 -6.112 4.851 2.582 397 2HD2 LEU 52 2HD2 LEU 52 -5.599 5.911 3.902 398 3HD2 LEU 52 3HD2 LEU 52 -4.440 4.801 3.147 399 H ALA 53 H ALA 53 -3.615 4.335 8.071 400 HA ALA 53 HA ALA 53 -2.529 6.893 7.926 401 1HB ALA 53 1HB ALA 53 -3.794 6.003 9.863 402 2HB ALA 53 2HB ALA 53 -2.444 4.918 10.257 403 3HB ALA 53 3HB ALA 53 -2.238 6.680 10.387 404 H THR 54 H THR 54 -0.808 3.808 8.294 405 HA THR 54 HA THR 54 1.746 5.191 8.659 406 HB THR 54 HB THR 54 0.991 2.291 8.471 407 HG1 THR 54 1HG THR 54 0.923 3.050 10.464 408 1HG2 THR 54 1HG2 THR 54 2.978 2.333 7.138 409 2HG2 THR 54 2HG2 THR 54 3.782 3.501 8.221 410 3HG2 THR 54 3HG2 THR 54 3.478 1.844 8.758 411 H LEU 55 H LEU 55 0.260 3.417 5.878 412 HA LEU 55 HA LEU 55 2.521 3.949 4.235 413 1HB LEU 55 2HB LEU 55 1.241 3.313 2.371 414 2HB LEU 55 3HB LEU 55 1.202 2.207 3.709 415 HG LEU 55 HG LEU 55 -1.088 3.080 4.285 416 1HD1 LEU 55 1HD1 LEU 55 -0.454 4.439 1.710 417 2HD1 LEU 55 2HD1 LEU 55 -2.158 3.995 2.053 418 3HD1 LEU 55 3HD1 LEU 55 -1.278 5.100 3.122 419 1HD2 LEU 55 1HD2 LEU 55 -0.607 0.920 3.245 420 2HD2 LEU 55 2HD2 LEU 55 -2.080 1.620 2.546 421 3HD2 LEU 55 3HD2 LEU 55 -0.546 1.686 1.642 422 H LYS 56 H LYS 56 -0.289 5.878 4.878 423 HA LYS 56 HA LYS 56 -0.127 7.991 3.235 424 1HB LYS 56 2HB LYS 56 -1.497 7.585 5.487 425 2HB LYS 56 3HB LYS 56 -0.200 8.524 6.229 426 1HG LYS 56 2HG LYS 56 -0.743 10.289 4.408 427 2HG LYS 56 3HG LYS 56 -2.166 9.255 4.072 428 1HD LYS 56 2HD LYS 56 -2.801 9.422 6.503 429 2HD LYS 56 3HD LYS 56 -1.474 10.554 6.763 430 1HE LYS 56 2HE LYS 56 -3.898 10.952 4.922 431 2HE LYS 56 3HE LYS 56 -3.664 11.703 6.506 432 1HZ LYS 56 1HZ LYS 56 -1.987 12.167 4.127 433 2HZ LYS 56 2HZ LYS 56 -3.095 13.204 4.753 434 3HZ LYS 56 3HZ LYS 56 -1.739 12.844 5.609 435 H LYS 57 H LYS 57 2.225 7.220 5.772 436 HA LYS 57 HA LYS 57 3.495 9.711 6.132 437 1HB LYS 57 2HB LYS 57 4.510 6.894 6.435 438 2HB LYS 57 3HB LYS 57 5.382 8.332 7.002 439 1HG LYS 57 2HG LYS 57 3.535 8.908 8.470 440 2HG LYS 57 3HG LYS 57 2.547 7.608 7.788 441 1HD LYS 57 2HD LYS 57 4.097 5.893 8.563 442 2HD LYS 57 3HD LYS 57 5.087 7.114 9.377 443 1HE LYS 57 2HE LYS 57 3.450 7.555 11.012 444 2HE LYS 57 3HE LYS 57 2.116 6.965 10.026 445 1HZ LYS 57 1HZ LYS 57 2.696 5.503 11.862 446 2HZ LYS 57 2HZ LYS 57 2.773 4.708 10.444 447 3HZ LYS 57 3HZ LYS 57 4.162 5.194 11.196 448 H THR 58 H THR 58 3.707 7.433 3.421 449 HA THR 58 HA THR 58 6.266 8.313 2.415 450 HB THR 58 HB THR 58 5.537 7.315 0.301 451 HG1 THR 58 1HG THR 58 3.064 6.750 1.581 452 1HG2 THR 58 1HG2 THR 58 6.434 5.875 2.049 453 2HG2 THR 58 2HG2 THR 58 4.815 5.664 2.741 454 3HG2 THR 58 3HG2 THR 58 5.178 5.024 1.119 455 H GLY 59 H GLY 59 3.099 9.797 2.430 456 1HA GLY 59 2HA GLY 59 2.373 11.771 1.631 457 2HA GLY 59 3HA GLY 59 4.081 12.232 1.439 458 H LYS 60 H LYS 60 2.229 9.629 -0.170 459 HA LYS 60 HA LYS 60 2.491 11.015 -2.804 460 1HB LYS 60 2HB LYS 60 2.352 8.012 -2.402 461 2HB LYS 60 3HB LYS 60 2.781 8.855 -3.872 462 1HG LYS 60 2HG LYS 60 4.388 8.524 -1.306 463 2HG LYS 60 3HG LYS 60 4.699 7.736 -2.840 464 1HD LYS 60 2HD LYS 60 5.131 10.696 -2.198 465 2HD LYS 60 3HD LYS 60 6.337 9.438 -2.349 466 1HE LYS 60 2HE LYS 60 6.490 10.482 -4.439 467 2HE LYS 60 3HE LYS 60 5.464 9.078 -4.772 468 1HZ LYS 60 1HZ LYS 60 4.352 10.831 -5.761 469 2HZ LYS 60 2HZ LYS 60 3.566 10.628 -4.436 470 3HZ LYS 60 3HZ LYS 60 4.621 11.898 -4.500 471 H THR 61 H THR 61 0.623 10.337 -4.330 472 HA THR 61 HA THR 61 -1.886 10.240 -3.025 473 HB THR 61 HB THR 61 -1.358 9.494 -5.880 474 HG1 THR 61 1HG THR 61 -1.043 12.128 -4.873 475 1HG2 THR 61 1HG2 THR 61 -3.278 11.468 -4.577 476 2HG2 THR 61 2HG2 THR 61 -3.233 11.041 -6.303 477 3HG2 THR 61 3HG2 THR 61 -3.689 9.816 -5.097 478 H VAL 62 H VAL 62 -0.656 8.155 -1.907 479 HA VAL 62 HA VAL 62 -1.720 5.666 -3.124 480 HB VAL 62 HB VAL 62 0.421 5.337 -2.191 481 1HG1 VAL 62 1HG1 VAL 62 0.666 7.223 -0.672 482 2HG1 VAL 62 2HG1 VAL 62 -0.570 6.559 0.417 483 3HG1 VAL 62 3HG1 VAL 62 0.973 5.713 0.179 484 1HG2 VAL 62 1HG2 VAL 62 -1.683 4.254 -0.279 485 2HG2 VAL 62 2HG2 VAL 62 -1.288 3.582 -1.860 486 3HG2 VAL 62 3HG2 VAL 62 -0.067 3.575 -0.577 487 H SER 63 H SER 63 -3.808 5.114 -2.651 488 HA SER 63 HA SER 63 -5.059 6.094 -0.162 489 1HB SER 63 2HB SER 63 -6.055 6.896 -2.937 490 2HB SER 63 3HB SER 63 -6.917 7.177 -1.413 491 HG SER 63 HG SER 63 -4.447 8.101 -1.101 492 H TYR 64 H TYR 64 -7.173 5.129 0.149 493 HA TYR 64 HA TYR 64 -7.023 2.286 -0.607 494 1HB TYR 64 2HB TYR 64 -6.863 2.807 1.722 495 2HB TYR 64 3HB TYR 64 -8.248 3.901 1.636 496 HD1 TYR 64 HD1 TYR 64 -10.366 3.129 2.290 497 HD2 TYR 64 HD2 TYR 64 -7.378 0.296 1.002 498 HE1 TYR 64 HE1 TYR 64 -11.967 1.272 2.641 499 HE2 TYR 64 HE2 TYR 64 -8.984 -1.536 1.336 500 HH TYR 64 HH TYR 64 -11.178 -1.987 1.463 501 H LEU 65 H LEU 65 -8.581 1.286 -1.810 502 HA LEU 65 HA LEU 65 -11.338 2.190 -1.808 503 1HB LEU 65 2HB LEU 65 -11.339 2.171 -4.373 504 2HB LEU 65 3HB LEU 65 -10.946 3.615 -3.470 505 HG LEU 65 HG LEU 65 -9.592 3.264 -5.445 506 1HD1 LEU 65 1HD1 LEU 65 -7.692 3.289 -3.220 507 2HD1 LEU 65 2HD1 LEU 65 -7.703 4.244 -4.699 508 3HD1 LEU 65 3HD1 LEU 65 -8.872 4.605 -3.423 509 1HD2 LEU 65 1HD2 LEU 65 -8.242 0.941 -4.096 510 2HD2 LEU 65 2HD2 LEU 65 -9.265 0.890 -5.553 511 3HD2 LEU 65 3HD2 LEU 65 -7.728 1.741 -5.591 512 H GLY 66 H GLY 66 -11.323 -0.023 -0.735 513 1HA GLY 66 2HA GLY 66 -13.110 -1.488 -1.674 514 2HA GLY 66 3HA GLY 66 -11.970 -2.002 -2.916 515 H LEU 67 H LEU 67 -13.024 -4.012 -1.680 516 HA LEU 67 HA LEU 67 -10.906 -5.122 0.003 517 1HB LEU 67 2HB LEU 67 -13.894 -5.537 0.517 518 2HB LEU 67 3HB LEU 67 -12.552 -6.351 1.319 519 HG LEU 67 HG LEU 67 -11.822 -3.848 1.865 520 1HD1 LEU 67 1HD1 LEU 67 -13.840 -2.506 2.512 521 2HD1 LEU 67 2HD1 LEU 67 -13.797 -2.762 0.763 522 3HD1 LEU 67 3HD1 LEU 67 -14.884 -3.732 1.773 523 1HD2 LEU 67 1HD2 LEU 67 -12.948 -4.141 4.079 524 2HD2 LEU 67 2HD2 LEU 67 -13.902 -5.471 3.388 525 3HD2 LEU 67 3HD2 LEU 67 -12.132 -5.609 3.518 526 H GLU 68 H GLU 68 -10.896 -7.535 -0.175 527 HA GLU 68 HA GLU 68 -12.819 -8.775 -1.960 528 1HB GLU 68 2HB GLU 68 -10.810 -7.931 -3.378 529 2HB GLU 68 3HB GLU 68 -9.873 -9.169 -2.537 530 1HG GLU 68 2HG GLU 68 -11.365 -10.921 -3.411 531 2HG GLU 68 3HG GLU 68 -12.353 -9.687 -4.213 Start of MODEL 19 1 1H MET 1 H1 MET 1 -7.057 -13.654 3.882 2 2H MET 1 H2 MET 1 -7.382 -14.783 5.046 3 3H MET 1 H3 MET 1 -8.608 -14.097 4.113 4 HA MET 1 HA MET 1 -8.571 -13.111 6.313 5 1HB MET 1 2HB MET 1 -5.707 -12.488 5.434 6 2HB MET 1 3HB MET 1 -6.488 -11.638 6.753 7 1HG MET 1 2HG MET 1 -5.238 -13.404 7.741 8 2HG MET 1 3HG MET 1 -6.943 -13.843 7.850 9 1HE MET 1 1HE MET 1 -5.576 -17.382 7.566 10 2HE MET 1 2HE MET 1 -5.098 -16.014 8.603 11 3HE MET 1 3HE MET 1 -6.817 -16.321 8.274 12 HA PRO 2 HA PRO 2 -10.346 -9.768 4.125 13 1HB PRO 2 2HB PRO 2 -9.788 -7.439 5.549 14 2HB PRO 2 3HB PRO 2 -11.066 -8.619 5.955 15 1HG PRO 2 2HG PRO 2 -8.256 -8.452 7.076 16 2HG PRO 2 3HG PRO 2 -9.786 -8.657 7.984 17 1HD PRO 2 2HD PRO 2 -8.270 -10.782 7.473 18 2HD PRO 2 3HD PRO 2 -10.020 -10.914 7.192 19 H LYS 3 H LYS 3 -9.796 -8.651 2.323 20 HA LYS 3 HA LYS 3 -6.928 -7.913 1.929 21 1HB LYS 3 2HB LYS 3 -7.322 -9.981 0.884 22 2HB LYS 3 3HB LYS 3 -8.876 -9.487 0.222 23 1HG LYS 3 2HG LYS 3 -6.439 -7.911 -0.607 24 2HG LYS 3 3HG LYS 3 -6.615 -9.560 -1.228 25 1HD LYS 3 2HD LYS 3 -8.762 -9.132 -2.188 26 2HD LYS 3 3HD LYS 3 -8.897 -7.543 -1.423 27 1HE LYS 3 2HE LYS 3 -7.061 -6.667 -2.748 28 2HE LYS 3 3HE LYS 3 -6.790 -8.260 -3.508 29 1HZ LYS 3 1HZ LYS 3 -8.113 -6.726 -4.862 30 2HZ LYS 3 2HZ LYS 3 -9.058 -8.066 -4.424 31 3HZ LYS 3 3HZ LYS 3 -9.280 -6.688 -3.689 32 H HIS 4 H HIS 4 -6.576 -5.978 0.945 33 HA HIS 4 HA HIS 4 -8.922 -4.162 0.593 34 1HB HIS 4 2HB HIS 4 -6.197 -3.544 1.757 35 2HB HIS 4 3HB HIS 4 -7.670 -2.576 1.887 36 HD1 HIS 4 1HD HIS 4 -5.915 -5.636 3.349 37 HD2 HIS 4 2HD HIS 4 -9.534 -3.530 3.705 38 HE1 HIS 4 1HE HIS 4 -6.988 -6.383 5.561 39 H GLU 5 H GLU 5 -8.814 -2.708 -1.161 40 HA GLU 5 HA GLU 5 -6.531 -3.025 -3.067 41 1HB GLU 5 2HB GLU 5 -9.408 -2.123 -3.247 42 2HB GLU 5 3HB GLU 5 -8.276 -1.857 -4.568 43 1HG GLU 5 2HG GLU 5 -8.620 -4.628 -3.423 44 2HG GLU 5 3HG GLU 5 -9.841 -3.963 -4.512 45 H PHE 6 H PHE 6 -5.221 -1.288 -3.521 46 HA PHE 6 HA PHE 6 -6.142 1.476 -2.872 47 1HB PHE 6 2HB PHE 6 -3.375 0.226 -2.419 48 2HB PHE 6 3HB PHE 6 -3.736 1.929 -2.240 49 HD1 PHE 6 1HD PHE 6 -4.481 -1.468 -0.836 50 HD2 PHE 6 2HD PHE 6 -4.398 2.785 -0.118 51 HE1 PHE 6 1HE PHE 6 -4.750 -1.863 1.593 52 HE2 PHE 6 2HE PHE 6 -4.693 2.374 2.307 53 HZ PHE 6 HZ PHE 6 -4.895 0.050 3.168 54 H SER 7 H SER 7 -5.590 2.958 -4.451 55 HA SER 7 HA SER 7 -3.992 1.921 -6.740 56 1HB SER 7 2HB SER 7 -6.427 3.293 -6.924 57 2HB SER 7 3HB SER 7 -5.186 4.494 -7.282 58 HG SER 7 HG SER 7 -4.296 2.716 -8.709 59 H VAL 8 H VAL 8 -2.083 2.934 -7.246 60 HA VAL 8 HA VAL 8 -1.023 4.603 -5.016 61 HB VAL 8 HB VAL 8 0.195 2.315 -6.602 62 1HG1 VAL 8 1HG1 VAL 8 1.337 4.059 -4.351 63 2HG1 VAL 8 2HG1 VAL 8 2.066 2.538 -4.917 64 3HG1 VAL 8 3HG1 VAL 8 1.973 3.920 -6.002 65 1HG2 VAL 8 1HG2 VAL 8 0.232 1.244 -4.324 66 2HG2 VAL 8 2HG2 VAL 8 -0.725 2.579 -3.692 67 3HG2 VAL 8 3HG2 VAL 8 -1.409 1.503 -4.930 68 H ASP 9 H ASP 9 0.715 5.975 -5.487 69 HA ASP 9 HA ASP 9 0.644 7.162 -8.209 70 1HB ASP 9 2HB ASP 9 0.017 8.589 -6.417 71 2HB ASP 9 3HB ASP 9 1.382 8.091 -5.414 72 H MET 10 H MET 10 1.867 5.447 -9.104 73 HA MET 10 HA MET 10 4.726 5.341 -8.450 74 1HB MET 10 2HB MET 10 3.158 4.101 -10.734 75 2HB MET 10 3HB MET 10 4.889 3.903 -10.406 76 1HG MET 10 2HG MET 10 4.041 2.062 -9.371 77 2HG MET 10 3HG MET 10 4.118 3.175 -7.994 78 1HE MET 10 1HE MET 10 1.165 0.544 -7.560 79 2HE MET 10 2HE MET 10 2.689 0.306 -8.413 80 3HE MET 10 3HE MET 10 2.687 1.138 -6.847 81 H THR 11 H THR 11 4.730 7.778 -8.529 82 HA THR 11 HA THR 11 4.918 9.017 -11.119 83 HB THR 11 HB THR 11 6.444 10.462 -9.187 84 HG1 THR 11 1HG THR 11 4.053 9.598 -7.973 85 1HG2 THR 11 1HG2 THR 11 4.458 11.939 -9.093 86 2HG2 THR 11 2HG2 THR 11 4.883 11.488 -10.757 87 3HG2 THR 11 3HG2 THR 11 3.505 10.710 -9.949 88 H CYS 12 H CYS 12 7.166 7.306 -8.962 89 HA CYS 12 HA CYS 12 9.081 7.152 -11.219 90 1HB CYS 12 2HB CYS 12 10.022 8.817 -9.639 91 2HB CYS 12 3HB CYS 12 9.791 7.680 -8.289 92 HG CYS 12 HG CYS 12 12.305 7.712 -8.883 93 H GLY 13 H GLY 13 10.095 5.028 -11.209 94 1HA GLY 13 2HA GLY 13 8.660 2.805 -10.324 95 2HA GLY 13 3HA GLY 13 10.411 2.827 -10.611 96 H GLY 14 H GLY 14 11.207 4.661 -8.610 97 1HA GLY 14 2HA GLY 14 11.399 2.945 -6.366 98 2HA GLY 14 3HA GLY 14 11.937 4.638 -6.433 99 H CYS 15 H CYS 15 8.721 5.002 -7.172 100 HA CYS 15 HA CYS 15 7.815 5.567 -4.492 101 1HB CYS 15 2HB CYS 15 6.270 5.051 -7.017 102 2HB CYS 15 3HB CYS 15 5.565 5.477 -5.442 103 HG CYS 15 HG CYS 15 5.487 7.677 -6.675 104 H ALA 16 H ALA 16 7.925 2.652 -6.582 105 HA ALA 16 HA ALA 16 6.274 1.025 -4.913 106 1HB ALA 16 1HB ALA 16 6.880 0.439 -7.265 107 2HB ALA 16 2HB ALA 16 8.557 0.151 -6.742 108 3HB ALA 16 3HB ALA 16 7.248 -0.864 -6.116 109 H GLU 17 H GLU 17 9.896 1.484 -4.980 110 HA GLU 17 HA GLU 17 10.501 -0.048 -2.713 111 1HB GLU 17 2HB GLU 17 11.662 2.514 -3.850 112 2HB GLU 17 3HB GLU 17 12.305 1.742 -2.413 113 1HG GLU 17 2HG GLU 17 11.821 -0.183 -4.642 114 2HG GLU 17 3HG GLU 17 12.959 1.100 -5.028 115 H ALA 18 H ALA 18 9.351 3.363 -2.887 116 HA ALA 18 HA ALA 18 9.576 3.868 -0.099 117 1HB ALA 18 1HB ALA 18 7.521 5.073 -2.002 118 2HB ALA 18 2HB ALA 18 8.050 5.728 -0.445 119 3HB ALA 18 3HB ALA 18 9.196 5.633 -1.799 120 H VAL 19 H VAL 19 6.754 2.735 -1.985 121 HA VAL 19 HA VAL 19 5.012 2.452 0.243 122 HB VAL 19 HB VAL 19 4.990 1.248 -2.543 123 1HG1 VAL 19 1HG1 VAL 19 2.580 0.808 -2.125 124 2HG1 VAL 19 2HG1 VAL 19 3.610 -0.215 -1.119 125 3HG1 VAL 19 3HG1 VAL 19 2.805 1.219 -0.417 126 1HG2 VAL 19 1HG2 VAL 19 4.744 3.760 -2.332 127 2HG2 VAL 19 2HG2 VAL 19 3.281 2.976 -2.933 128 3HG2 VAL 19 3HG2 VAL 19 3.376 3.501 -1.243 129 H SER 20 H SER 20 6.931 -0.087 -1.507 130 HA SER 20 HA SER 20 6.114 -2.216 0.152 131 1HB SER 20 2HB SER 20 8.346 -3.260 -0.525 132 2HB SER 20 3HB SER 20 7.362 -2.687 -1.891 133 HG SER 20 HG SER 20 8.664 -0.867 -1.991 134 H ARG 21 H ARG 21 8.991 -0.152 0.480 135 HA ARG 21 HA ARG 21 9.892 -1.195 2.929 136 1HB ARG 21 2HB ARG 21 10.194 1.597 1.782 137 2HB ARG 21 3HB ARG 21 11.060 1.004 3.206 138 1HG ARG 21 2HG ARG 21 12.121 -0.787 1.923 139 2HG ARG 21 3HG ARG 21 11.210 -0.368 0.475 140 1HD ARG 21 2HD ARG 21 12.269 1.913 0.522 141 2HD ARG 21 3HD ARG 21 13.252 1.368 1.892 142 HE ARG 21 HE ARG 21 13.259 -0.062 -0.783 143 1HH1 ARG 21 2HH2 ARG 21 15.163 1.720 1.627 144 2HH1 ARG 21 1HH2 ARG 21 16.663 1.485 0.785 145 1HH2 ARG 21 2HH1 ARG 21 15.186 -0.161 -1.977 146 2HH2 ARG 21 1HH1 ARG 21 16.688 0.302 -1.256 147 H VAL 22 H VAL 22 7.593 1.694 2.535 148 HA VAL 22 HA VAL 22 7.354 2.030 5.285 149 HB VAL 22 HB VAL 22 6.617 3.540 3.284 150 1HG1 VAL 22 1HG1 VAL 22 4.769 2.008 2.459 151 2HG1 VAL 22 2HG1 VAL 22 3.937 2.291 3.995 152 3HG1 VAL 22 3HG1 VAL 22 4.239 3.619 2.852 153 1HG2 VAL 22 1HG2 VAL 22 5.079 3.295 5.864 154 2HG2 VAL 22 2HG2 VAL 22 6.579 4.225 5.566 155 3HG2 VAL 22 3HG2 VAL 22 5.040 4.711 4.795 156 H LEU 23 H LEU 23 5.353 -0.036 3.077 157 HA LEU 23 HA LEU 23 3.600 -0.898 5.146 158 1HB LEU 23 2HB LEU 23 4.369 -2.003 2.431 159 2HB LEU 23 3HB LEU 23 3.468 -2.975 3.578 160 HG LEU 23 HG LEU 23 1.941 -2.090 2.064 161 1HD1 LEU 23 1HD1 LEU 23 1.533 -0.613 4.702 162 2HD1 LEU 23 2HD1 LEU 23 0.302 -1.126 3.552 163 3HD1 LEU 23 3HD1 LEU 23 1.232 -2.348 4.436 164 1HD2 LEU 23 1HD2 LEU 23 2.828 0.639 2.962 165 2HD2 LEU 23 2HD2 LEU 23 3.139 -0.132 1.385 166 3HD2 LEU 23 3HD2 LEU 23 1.480 0.292 1.849 167 H ASN 24 H ASN 24 6.709 -2.262 3.984 168 HA ASN 24 HA ASN 24 6.781 -4.535 5.696 169 1HB ASN 24 2HB ASN 24 8.397 -4.436 3.984 170 2HB ASN 24 3HB ASN 24 8.856 -2.783 4.366 171 1HD2 ASN 24 1HD2 ASN 24 10.077 -2.321 6.227 172 2HD2 ASN 24 2HD2 ASN 24 11.147 -3.555 6.914 173 H LYS 25 H LYS 25 7.874 -1.168 6.213 174 HA LYS 25 HA LYS 25 8.981 -1.474 8.784 175 1HB LYS 25 2HB LYS 25 7.755 0.836 7.249 176 2HB LYS 25 3HB LYS 25 8.145 1.057 8.942 177 1HG LYS 25 2HG LYS 25 10.179 0.039 6.911 178 2HG LYS 25 3HG LYS 25 9.902 1.757 7.229 179 1HD LYS 25 2HD LYS 25 10.408 1.416 9.638 180 2HD LYS 25 3HD LYS 25 10.770 -0.291 9.327 181 1HE LYS 25 2HE LYS 25 12.586 0.380 7.755 182 2HE LYS 25 3HE LYS 25 12.232 2.086 8.079 183 1HZ LYS 25 1HZ LYS 25 12.830 1.710 10.377 184 2HZ LYS 25 2HZ LYS 25 13.160 0.125 10.078 185 3HZ LYS 25 3HZ LYS 25 14.071 1.302 9.383 186 H LEU 26 H LEU 26 5.603 -0.976 7.827 187 HA LEU 26 HA LEU 26 4.475 -0.544 10.327 188 1HB LEU 26 2HB LEU 26 3.401 -0.719 7.993 189 2HB LEU 26 3HB LEU 26 3.251 -2.442 8.272 190 HG LEU 26 HG LEU 26 1.244 -1.021 8.652 191 1HD1 LEU 26 1HD1 LEU 26 0.365 -2.206 10.492 192 2HD1 LEU 26 2HD1 LEU 26 1.363 -3.299 9.505 193 3HD1 LEU 26 3HD1 LEU 26 1.967 -2.686 11.065 194 1HD2 LEU 26 1HD2 LEU 26 2.446 -0.294 11.350 195 2HD2 LEU 26 2HD2 LEU 26 2.503 0.796 9.952 196 3HD2 LEU 26 3HD2 LEU 26 0.945 0.292 10.617 197 H GLY 27 H GLY 27 5.529 -3.663 8.893 198 1HA GLY 27 2HA GLY 27 6.287 -4.865 11.200 199 2HA GLY 27 3HA GLY 27 4.532 -5.125 11.229 200 H GLY 28 H GLY 28 3.565 -6.586 9.780 201 1HA GLY 28 2HA GLY 28 5.319 -8.342 8.124 202 2HA GLY 28 3HA GLY 28 4.516 -9.021 9.554 203 H VAL 29 H VAL 29 3.407 -6.575 7.321 204 HA VAL 29 HA VAL 29 0.839 -7.809 6.736 205 HB VAL 29 HB VAL 29 1.218 -5.356 6.985 206 1HG1 VAL 29 1HG1 VAL 29 3.050 -5.691 4.584 207 2HG1 VAL 29 2HG1 VAL 29 2.410 -4.136 5.162 208 3HG1 VAL 29 3HG1 VAL 29 3.483 -5.074 6.182 209 1HG2 VAL 29 1HG2 VAL 29 0.386 -6.064 4.155 210 2HG2 VAL 29 2HG2 VAL 29 -0.657 -6.026 5.604 211 3HG2 VAL 29 3HG2 VAL 29 0.091 -4.548 4.996 212 H LYS 30 H LYS 30 0.180 -8.402 4.406 213 HA LYS 30 HA LYS 30 2.521 -8.763 2.603 214 1HB LYS 30 2HB LYS 30 1.650 -10.941 2.942 215 2HB LYS 30 3HB LYS 30 -0.024 -10.387 2.773 216 1HG LYS 30 2HG LYS 30 0.768 -11.620 0.803 217 2HG LYS 30 3HG LYS 30 0.241 -10.000 0.396 218 1HD LYS 30 2HD LYS 30 2.270 -9.435 -0.462 219 2HD LYS 30 3HD LYS 30 3.131 -9.988 0.978 220 1HE LYS 30 2HE LYS 30 4.007 -11.270 -0.705 221 2HE LYS 30 3HE LYS 30 2.877 -12.346 0.135 222 1HZ LYS 30 1HZ LYS 30 1.278 -11.437 -1.776 223 2HZ LYS 30 2HZ LYS 30 2.599 -11.055 -2.524 224 3HZ LYS 30 3HZ LYS 30 2.371 -12.642 -2.149 225 H TYR 31 H TYR 31 2.596 -7.239 1.189 226 HA TYR 31 HA TYR 31 0.134 -6.076 -0.024 227 1HB TYR 31 2HB TYR 31 1.621 -4.181 -0.681 228 2HB TYR 31 3HB TYR 31 1.299 -4.288 1.045 229 HD1 TYR 31 HD1 TYR 31 3.911 -4.812 -1.567 230 HD2 TYR 31 HD2 TYR 31 3.004 -4.934 2.606 231 HE1 TYR 31 HE1 TYR 31 6.339 -4.940 -1.050 232 HE2 TYR 31 HE2 TYR 31 5.440 -4.891 3.158 233 HH TYR 31 HH TYR 31 7.479 -4.007 2.053 234 H ASP 32 H ASP 32 -0.028 -6.365 -2.202 235 HA ASP 32 HA ASP 32 2.318 -7.451 -3.709 236 1HB ASP 32 2HB ASP 32 -0.587 -8.245 -3.627 237 2HB ASP 32 3HB ASP 32 0.318 -8.463 -5.120 238 H ILE 33 H ILE 33 2.816 -6.289 -5.472 239 HA ILE 33 HA ILE 33 1.433 -3.659 -5.739 240 HB ILE 33 HB ILE 33 4.332 -4.494 -6.050 241 1HG1 ILE 33 2HG1 ILE 33 3.531 -2.360 -4.104 242 2HG1 ILE 33 3HG1 ILE 33 3.065 -4.005 -3.663 243 1HG2 ILE 33 1HG2 ILE 33 3.026 -1.765 -6.428 244 2HG2 ILE 33 2HG2 ILE 33 4.776 -2.030 -6.296 245 3HG2 ILE 33 3HG2 ILE 33 3.888 -2.712 -7.659 246 1HD1 ILE 33 1HD1 ILE 33 5.346 -4.780 -3.804 247 2HD1 ILE 33 2HD1 ILE 33 5.894 -3.209 -4.451 248 3HD1 ILE 33 3HD1 ILE 33 5.285 -3.323 -2.791 249 H ASP 34 H ASP 34 0.359 -3.409 -7.574 250 HA ASP 34 HA ASP 34 1.301 -4.653 -10.106 251 1HB ASP 34 2HB ASP 34 -1.064 -4.995 -9.516 252 2HB ASP 34 3HB ASP 34 -1.301 -3.240 -9.448 253 H LEU 35 H LEU 35 2.913 -3.394 -10.817 254 HA LEU 35 HA LEU 35 2.967 -0.520 -10.505 255 1HB LEU 35 2HB LEU 35 4.962 -2.235 -10.696 256 2HB LEU 35 3HB LEU 35 4.735 -2.013 -12.429 257 HG LEU 35 HG LEU 35 4.781 0.592 -11.719 258 1HD1 LEU 35 1HD1 LEU 35 6.319 1.016 -9.866 259 2HD1 LEU 35 2HD1 LEU 35 5.005 -0.009 -9.248 260 3HD1 LEU 35 3HD1 LEU 35 6.583 -0.717 -9.621 261 1HD2 LEU 35 1HD2 LEU 35 7.267 -1.153 -11.963 262 2HD2 LEU 35 2HD2 LEU 35 6.341 -0.443 -13.305 263 3HD2 LEU 35 3HD2 LEU 35 7.208 0.610 -12.172 264 HA PRO 36 HA PRO 36 2.147 -0.527 -15.253 265 1HB PRO 36 2HB PRO 36 0.428 -2.489 -16.263 266 2HB PRO 36 3HB PRO 36 2.205 -2.469 -16.406 267 1HG PRO 36 2HG PRO 36 0.517 -3.922 -14.384 268 2HG PRO 36 3HG PRO 36 1.939 -4.531 -15.272 269 1HD PRO 36 2HD PRO 36 2.149 -3.720 -12.759 270 2HD PRO 36 3HD PRO 36 3.432 -3.278 -13.913 271 H ASN 37 H ASN 37 -0.462 -1.973 -13.212 272 HA ASN 37 HA ASN 37 -2.435 -0.061 -14.312 273 1HB ASN 37 2HB ASN 37 -2.769 -2.291 -12.282 274 2HB ASN 37 3HB ASN 37 -4.049 -1.314 -12.968 275 1HD2 ASN 37 1HD2 ASN 37 -2.306 -4.219 -13.383 276 2HD2 ASN 37 2HD2 ASN 37 -2.749 -4.518 -15.065 277 H LYS 38 H LYS 38 -0.228 -0.164 -11.613 278 HA LYS 38 HA LYS 38 0.171 1.219 -10.035 279 1HB LYS 38 2HB LYS 38 -1.818 3.178 -11.306 280 2HB LYS 38 3HB LYS 38 -0.756 3.494 -9.956 281 1HG LYS 38 2HG LYS 38 0.547 4.361 -11.582 282 2HG LYS 38 3HG LYS 38 1.178 2.705 -11.527 283 1HD LYS 38 2HD LYS 38 -0.439 2.144 -13.391 284 2HD LYS 38 3HD LYS 38 -0.862 3.857 -13.497 285 1HE LYS 38 2HE LYS 38 1.460 4.414 -14.096 286 2HE LYS 38 3HE LYS 38 1.979 2.752 -13.760 287 1HZ LYS 38 1HZ LYS 38 0.548 1.990 -15.520 288 2HZ LYS 38 2HZ LYS 38 0.144 3.531 -15.923 289 3HZ LYS 38 3HZ LYS 38 1.705 3.019 -16.092 290 H LYS 39 H LYS 39 -0.971 -0.743 -9.182 291 HA LYS 39 HA LYS 39 -2.821 0.229 -7.111 292 1HB LYS 39 2HB LYS 39 -3.319 -2.100 -8.998 293 2HB LYS 39 3HB LYS 39 -3.844 -2.192 -7.318 294 1HG LYS 39 2HG LYS 39 -5.051 0.005 -7.629 295 2HG LYS 39 3HG LYS 39 -4.739 -0.133 -9.371 296 1HD LYS 39 2HD LYS 39 -5.954 -2.285 -9.424 297 2HD LYS 39 3HD LYS 39 -6.054 -2.301 -7.654 298 1HE LYS 39 2HE LYS 39 -7.404 -0.168 -7.753 299 2HE LYS 39 3HE LYS 39 -7.497 -0.364 -9.513 300 1HZ LYS 39 1HZ LYS 39 -9.404 -1.312 -8.292 301 2HZ LYS 39 2HZ LYS 39 -8.585 -2.498 -9.104 302 3HZ LYS 39 3HZ LYS 39 -8.391 -2.332 -7.498 303 H VAL 40 H VAL 40 -2.711 -0.868 -5.117 304 HA VAL 40 HA VAL 40 -0.786 -3.054 -4.910 305 HB VAL 40 HB VAL 40 -1.105 -0.483 -3.354 306 1HG1 VAL 40 1HG1 VAL 40 -0.352 -3.120 -2.115 307 2HG1 VAL 40 2HG1 VAL 40 0.038 -1.523 -1.408 308 3HG1 VAL 40 3HG1 VAL 40 -1.658 -1.963 -1.696 309 1HG2 VAL 40 1HG2 VAL 40 1.267 -2.269 -3.974 310 2HG2 VAL 40 2HG2 VAL 40 0.739 -0.902 -4.987 311 3HG2 VAL 40 3HG2 VAL 40 1.344 -0.617 -3.337 312 H CYS 41 H CYS 41 -1.696 -4.746 -3.924 313 HA CYS 41 HA CYS 41 -4.398 -4.428 -2.689 314 1HB CYS 41 2HB CYS 41 -4.922 -6.682 -3.355 315 2HB CYS 41 3HB CYS 41 -4.593 -5.680 -4.786 316 HG CYS 41 HG CYS 41 -2.485 -7.683 -3.250 317 H ILE 42 H ILE 42 -4.440 -4.987 -0.553 318 HA ILE 42 HA ILE 42 -1.989 -6.273 0.560 319 HB ILE 42 HB ILE 42 -3.528 -4.091 1.968 320 1HG1 ILE 42 2HG1 ILE 42 -1.192 -3.808 0.043 321 2HG1 ILE 42 3HG1 ILE 42 -2.792 -3.043 -0.054 322 1HG2 ILE 42 1HG2 ILE 42 -0.688 -5.145 2.251 323 2HG2 ILE 42 2HG2 ILE 42 -1.460 -3.953 3.296 324 3HG2 ILE 42 3HG2 ILE 42 -2.050 -5.611 3.299 325 1HD1 ILE 42 1HD1 ILE 42 -2.215 -1.852 2.142 326 2HD1 ILE 42 2HD1 ILE 42 -0.549 -2.419 1.870 327 3HD1 ILE 42 3HD1 ILE 42 -1.319 -1.342 0.701 328 H GLU 43 H GLU 43 -2.282 -7.920 1.876 329 HA GLU 43 HA GLU 43 -4.948 -8.367 3.135 330 1HB GLU 43 2HB GLU 43 -4.575 -9.934 1.216 331 2HB GLU 43 3HB GLU 43 -3.114 -10.531 2.019 332 1HG GLU 43 2HG GLU 43 -4.489 -11.239 3.961 333 2HG GLU 43 3HG GLU 43 -5.947 -10.608 3.167 334 H SER 44 H SER 44 -4.834 -8.669 5.293 335 HA SER 44 HA SER 44 -2.720 -10.063 6.479 336 1HB SER 44 2HB SER 44 -1.576 -7.834 6.423 337 2HB SER 44 3HB SER 44 -2.885 -7.159 7.408 338 HG SER 44 HG SER 44 -0.947 -9.140 8.053 339 H GLU 45 H GLU 45 -3.131 -9.858 8.994 340 HA GLU 45 HA GLU 45 -6.087 -10.074 9.426 341 1HB GLU 45 2HB GLU 45 -4.415 -12.181 9.461 342 2HB GLU 45 3HB GLU 45 -4.160 -11.670 11.118 343 1HG GLU 45 2HG GLU 45 -6.511 -11.974 11.626 344 2HG GLU 45 3HG GLU 45 -6.935 -12.096 9.908 345 H HIS 46 H HIS 46 -5.197 -7.622 9.544 346 HA HIS 46 HA HIS 46 -5.439 -6.944 12.331 347 1HB HIS 46 2HB HIS 46 -3.489 -5.703 12.643 348 2HB HIS 46 3HB HIS 46 -2.912 -7.210 11.945 349 HD1 HIS 46 1HD HIS 46 -3.766 -3.598 10.691 350 HD2 HIS 46 2HD HIS 46 -1.005 -6.752 10.178 351 HE1 HIS 46 1HE HIS 46 -1.803 -2.680 9.408 352 H SER 47 H SER 47 -5.765 -4.454 12.472 353 HA SER 47 HA SER 47 -7.823 -3.902 10.624 354 1HB SER 47 2HB SER 47 -7.554 -2.978 13.004 355 2HB SER 47 3HB SER 47 -6.558 -1.701 12.290 356 HG SER 47 HG SER 47 -8.440 -0.875 11.366 357 H MET 48 H MET 48 -8.046 -2.442 8.923 358 HA MET 48 HA MET 48 -5.829 -2.124 7.192 359 1HB MET 48 2HB MET 48 -8.053 -2.473 6.368 360 2HB MET 48 3HB MET 48 -8.692 -1.094 7.287 361 1HG MET 48 2HG MET 48 -7.545 0.474 5.942 362 2HG MET 48 3HG MET 48 -6.555 -0.786 5.178 363 1HE MET 48 1HE MET 48 -10.218 0.639 5.553 364 2HE MET 48 2HE MET 48 -11.074 -0.298 4.305 365 3HE MET 48 3HE MET 48 -10.468 -1.115 5.757 366 H ASP 49 H ASP 49 -7.611 0.106 9.389 367 HA ASP 49 HA ASP 49 -6.677 2.534 8.622 368 1HB ASP 49 2HB ASP 49 -6.925 1.670 11.535 369 2HB ASP 49 3HB ASP 49 -7.187 3.287 10.864 370 H THR 50 H THR 50 -5.103 0.282 10.764 371 HA THR 50 HA THR 50 -2.820 1.670 11.537 372 HB THR 50 HB THR 50 -2.946 -1.298 10.902 373 HG1 THR 50 1HG THR 50 -4.129 0.082 13.073 374 1HG2 THR 50 1HG2 THR 50 -1.685 0.246 13.219 375 2HG2 THR 50 2HG2 THR 50 -1.670 -1.517 13.003 376 3HG2 THR 50 3HG2 THR 50 -0.810 -0.480 11.855 377 H LEU 51 H LEU 51 -3.426 -0.208 8.527 378 HA LEU 51 HA LEU 51 -0.739 0.100 7.441 379 1HB LEU 51 2HB LEU 51 -3.349 -0.328 5.910 380 2HB LEU 51 3HB LEU 51 -1.711 -0.534 5.321 381 HG LEU 51 HG LEU 51 -2.966 -2.185 7.575 382 1HD1 LEU 51 1HD1 LEU 51 -4.228 -2.549 5.550 383 2HD1 LEU 51 2HD1 LEU 51 -2.743 -2.749 4.612 384 3HD1 LEU 51 3HD1 LEU 51 -3.189 -3.954 5.850 385 1HD2 LEU 51 1HD2 LEU 51 -1.064 -3.744 6.975 386 2HD2 LEU 51 2HD2 LEU 51 -0.464 -2.510 5.854 387 3HD2 LEU 51 3HD2 LEU 51 -0.474 -2.193 7.592 388 H LEU 52 H LEU 52 -3.937 1.547 6.766 389 HA LEU 52 HA LEU 52 -3.265 3.279 4.809 390 1HB LEU 52 2HB LEU 52 -5.477 2.501 5.982 391 2HB LEU 52 3HB LEU 52 -5.358 3.983 6.907 392 HG LEU 52 HG LEU 52 -5.132 4.068 3.871 393 1HD1 LEU 52 1HD1 LEU 52 -7.676 3.641 5.478 394 2HD1 LEU 52 2HD1 LEU 52 -7.616 4.062 3.745 395 3HD1 LEU 52 3HD1 LEU 52 -6.942 2.516 4.318 396 1HD2 LEU 52 1HD2 LEU 52 -6.449 5.881 5.938 397 2HD2 LEU 52 2HD2 LEU 52 -4.844 6.122 5.207 398 3HD2 LEU 52 3HD2 LEU 52 -6.303 6.204 4.193 399 H ALA 53 H ALA 53 -3.445 4.084 8.274 400 HA ALA 53 HA ALA 53 -2.553 6.774 8.166 401 1HB ALA 53 1HB ALA 53 -2.286 4.710 10.397 402 2HB ALA 53 2HB ALA 53 -2.149 6.471 10.582 403 3HB ALA 53 3HB ALA 53 -3.702 5.748 10.117 404 H THR 54 H THR 54 -0.699 3.730 8.341 405 HA THR 54 HA THR 54 1.778 5.253 8.603 406 HB THR 54 HB THR 54 1.198 2.325 8.331 407 HG1 THR 54 1HG THR 54 1.196 2.909 10.363 408 1HG2 THR 54 1HG2 THR 54 3.894 3.731 8.062 409 2HG2 THR 54 2HG2 THR 54 3.704 2.017 8.472 410 3HG2 THR 54 3HG2 THR 54 3.126 2.607 6.914 411 H LEU 55 H LEU 55 0.328 3.440 5.798 412 HA LEU 55 HA LEU 55 2.543 4.110 4.194 413 1HB LEU 55 2HB LEU 55 1.295 3.350 2.330 414 2HB LEU 55 3HB LEU 55 1.223 2.291 3.716 415 HG LEU 55 HG LEU 55 -1.067 3.573 4.181 416 1HD1 LEU 55 1HD1 LEU 55 -2.113 4.218 2.068 417 2HD1 LEU 55 2HD1 LEU 55 -0.549 5.065 2.240 418 3HD1 LEU 55 3HD1 LEU 55 -0.658 3.664 1.178 419 1HD2 LEU 55 1HD2 LEU 55 -2.168 1.727 2.955 420 2HD2 LEU 55 2HD2 LEU 55 -0.655 1.412 2.072 421 3HD2 LEU 55 3HD2 LEU 55 -0.731 1.151 3.829 422 H LYS 56 H LYS 56 -0.416 5.862 4.732 423 HA LYS 56 HA LYS 56 -0.320 8.021 3.099 424 1HB LYS 56 2HB LYS 56 -0.920 7.587 5.997 425 2HB LYS 56 3HB LYS 56 -0.663 9.262 5.577 426 1HG LYS 56 2HG LYS 56 -2.393 9.225 3.892 427 2HG LYS 56 3HG LYS 56 -2.639 7.471 4.114 428 1HD LYS 56 2HD LYS 56 -3.329 7.740 6.362 429 2HD LYS 56 3HD LYS 56 -2.796 9.426 6.437 430 1HE LYS 56 2HE LYS 56 -4.572 10.124 4.882 431 2HE LYS 56 3HE LYS 56 -5.045 8.447 4.590 432 1HZ LYS 56 1HZ LYS 56 -5.301 9.860 7.165 433 2HZ LYS 56 2HZ LYS 56 -6.524 9.526 6.120 434 3HZ LYS 56 3HZ LYS 56 -5.745 8.299 6.883 435 H LYS 57 H LYS 57 1.936 7.453 5.786 436 HA LYS 57 HA LYS 57 3.112 9.970 6.112 437 1HB LYS 57 2HB LYS 57 4.179 7.204 6.427 438 2HB LYS 57 3HB LYS 57 5.051 8.643 7.003 439 1HG LYS 57 2HG LYS 57 3.174 9.183 8.468 440 2HG LYS 57 3HG LYS 57 2.235 7.837 7.804 441 1HD LYS 57 2HD LYS 57 3.942 6.208 8.533 442 2HD LYS 57 3HD LYS 57 4.820 7.492 9.372 443 1HE LYS 57 2HE LYS 57 3.151 7.745 11.018 444 2HE LYS 57 3HE LYS 57 1.879 7.052 10.020 445 1HZ LYS 57 1HZ LYS 57 4.092 5.465 11.149 446 2HZ LYS 57 2HZ LYS 57 2.600 5.606 11.815 447 3HZ LYS 57 3HZ LYS 57 2.765 4.857 10.377 448 H THR 58 H THR 58 3.589 7.619 3.466 449 HA THR 58 HA THR 58 6.157 8.486 2.566 450 HB THR 58 HB THR 58 5.452 7.576 0.371 451 HG1 THR 58 1HG THR 58 2.961 6.987 1.583 452 1HG2 THR 58 1HG2 THR 58 4.707 5.857 2.750 453 2HG2 THR 58 2HG2 THR 58 5.037 5.267 1.104 454 3HG2 THR 58 3HG2 THR 58 6.322 6.052 2.049 455 H GLY 59 H GLY 59 2.933 9.875 2.193 456 1HA GLY 59 2HA GLY 59 2.221 11.858 1.409 457 2HA GLY 59 3HA GLY 59 3.907 12.401 1.303 458 H LYS 60 H LYS 60 2.769 9.522 -0.448 459 HA LYS 60 HA LYS 60 2.975 10.901 -3.094 460 1HB LYS 60 2HB LYS 60 3.104 8.029 -2.127 461 2HB LYS 60 3HB LYS 60 2.799 8.433 -3.814 462 1HG LYS 60 2HG LYS 60 5.188 7.947 -3.274 463 2HG LYS 60 3HG LYS 60 4.871 9.468 -4.136 464 1HD LYS 60 2HD LYS 60 5.158 10.775 -2.160 465 2HD LYS 60 3HD LYS 60 5.158 9.307 -1.143 466 1HE LYS 60 2HE LYS 60 7.338 8.681 -1.955 467 2HE LYS 60 3HE LYS 60 7.349 10.025 -3.116 468 1HZ LYS 60 1HZ LYS 60 8.532 10.457 -0.962 469 2HZ LYS 60 2HZ LYS 60 7.374 11.564 -1.340 470 3HZ LYS 60 3HZ LYS 60 7.057 10.437 -0.203 471 H THR 61 H THR 61 1.168 10.503 -4.637 472 HA THR 61 HA THR 61 -1.305 11.027 -3.311 473 HB THR 61 HB THR 61 -0.981 10.531 -6.256 474 HG1 THR 61 1HG THR 61 0.844 11.683 -5.927 475 1HG2 THR 61 1HG2 THR 61 -2.377 12.549 -6.395 476 2HG2 THR 61 2HG2 THR 61 -3.139 11.356 -5.313 477 3HG2 THR 61 3HG2 THR 61 -2.260 12.752 -4.632 478 H VAL 62 H VAL 62 -0.673 8.560 -2.489 479 HA VAL 62 HA VAL 62 -2.037 6.480 -4.075 480 HB VAL 62 HB VAL 62 -0.110 5.675 -2.977 481 1HG1 VAL 62 1HG1 VAL 62 0.447 7.334 -1.367 482 2HG1 VAL 62 2HG1 VAL 62 -1.055 7.068 -0.448 483 3HG1 VAL 62 3HG1 VAL 62 0.222 5.834 -0.477 484 1HG2 VAL 62 1HG2 VAL 62 -2.356 4.855 -1.090 485 2HG2 VAL 62 2HG2 VAL 62 -2.140 4.204 -2.728 486 3HG2 VAL 62 3HG2 VAL 62 -0.892 3.946 -1.500 487 H SER 63 H SER 63 -4.012 5.503 -3.405 488 HA SER 63 HA SER 63 -5.386 6.668 -1.073 489 1HB SER 63 2HB SER 63 -6.065 8.057 -3.099 490 2HB SER 63 3HB SER 63 -6.771 6.577 -3.780 491 HG SER 63 HG SER 63 -7.520 8.041 -1.484 492 H TYR 64 H TYR 64 -7.620 5.495 -1.007 493 HA TYR 64 HA TYR 64 -7.008 2.560 -1.012 494 1HB TYR 64 2HB TYR 64 -6.768 3.404 1.233 495 2HB TYR 64 3HB TYR 64 -8.232 4.375 1.088 496 HD1 TYR 64 HD1 TYR 64 -7.231 0.776 0.591 497 HD2 TYR 64 HD2 TYR 64 -10.191 3.546 2.062 498 HE1 TYR 64 HE1 TYR 64 -8.891 -1.017 0.618 499 HE2 TYR 64 HE2 TYR 64 -11.843 1.710 2.173 500 HH TYR 64 HH TYR 64 -11.076 -1.522 0.879 501 H LEU 65 H LEU 65 -8.544 1.361 -2.122 502 HA LEU 65 HA LEU 65 -11.304 2.290 -2.325 503 1HB LEU 65 2HB LEU 65 -11.149 2.244 -4.866 504 2HB LEU 65 3HB LEU 65 -10.721 3.677 -3.965 505 HG LEU 65 HG LEU 65 -9.281 3.217 -5.857 506 1HD1 LEU 65 1HD1 LEU 65 -7.392 4.121 -5.020 507 2HD1 LEU 65 2HD1 LEU 65 -8.595 4.529 -3.792 508 3HD1 LEU 65 3HD1 LEU 65 -7.471 3.170 -3.540 509 1HD2 LEU 65 1HD2 LEU 65 -7.505 1.573 -5.863 510 2HD2 LEU 65 2HD2 LEU 65 -8.145 0.848 -4.383 511 3HD2 LEU 65 3HD2 LEU 65 -9.089 0.820 -5.894 512 H GLY 66 H GLY 66 -11.348 0.079 -1.182 513 1HA GLY 66 2HA GLY 66 -13.124 -1.431 -2.204 514 2HA GLY 66 3HA GLY 66 -11.850 -2.020 -3.279 515 H LEU 67 H LEU 67 -13.261 -3.756 -1.469 516 HA LEU 67 HA LEU 67 -11.020 -4.859 -0.130 517 1HB LEU 67 2HB LEU 67 -11.867 -4.958 2.112 518 2HB LEU 67 3HB LEU 67 -11.725 -3.273 1.657 519 HG LEU 67 HG LEU 67 -14.307 -4.908 1.800 520 1HD1 LEU 67 1HD1 LEU 67 -13.243 -2.654 3.552 521 2HD1 LEU 67 2HD1 LEU 67 -14.796 -3.495 3.747 522 3HD1 LEU 67 3HD1 LEU 67 -13.280 -4.380 3.982 523 1HD2 LEU 67 1HD2 LEU 67 -13.890 -1.967 1.099 524 2HD2 LEU 67 2HD2 LEU 67 -14.701 -3.210 0.114 525 3HD2 LEU 67 3HD2 LEU 67 -15.442 -2.656 1.609 526 H GLU 68 H GLU 68 -11.392 -7.097 0.575 527 HA GLU 68 HA GLU 68 -13.871 -8.416 -0.248 528 1HB GLU 68 2HB GLU 68 -10.920 -8.739 -0.966 529 2HB GLU 68 3HB GLU 68 -12.031 -10.065 -0.997 530 1HG GLU 68 2HG GLU 68 -12.810 -9.426 -3.076 531 2HG GLU 68 3HG GLU 68 -13.177 -7.802 -2.485 Start of MODEL 20 1 1H MET 1 H1 MET 1 -6.601 -7.479 7.246 2 2H MET 1 H2 MET 1 -7.828 -6.528 6.664 3 3H MET 1 H3 MET 1 -7.477 -6.554 8.282 4 HA MET 1 HA MET 1 -7.998 -8.879 8.420 5 1HB MET 1 2HB MET 1 -10.245 -7.149 7.342 6 2HB MET 1 3HB MET 1 -10.462 -8.783 8.046 7 1HG MET 1 2HG MET 1 -9.356 -8.003 10.118 8 2HG MET 1 3HG MET 1 -9.327 -6.359 9.453 9 1HE MET 1 1HE MET 1 -10.467 -5.533 11.674 10 2HE MET 1 2HE MET 1 -11.997 -6.199 12.293 11 3HE MET 1 3HE MET 1 -10.533 -7.209 12.279 12 HA PRO 2 HA PRO 2 -7.999 -10.866 4.326 13 1HB PRO 2 2HB PRO 2 -10.068 -10.986 2.633 14 2HB PRO 2 3HB PRO 2 -10.173 -11.711 4.241 15 1HG PRO 2 2HG PRO 2 -11.126 -8.947 3.468 16 2HG PRO 2 3HG PRO 2 -12.099 -10.253 4.199 17 1HD PRO 2 2HD PRO 2 -10.938 -8.349 5.707 18 2HD PRO 2 3HD PRO 2 -10.984 -10.047 6.277 19 H LYS 3 H LYS 3 -9.102 -9.658 1.547 20 HA LYS 3 HA LYS 3 -6.590 -8.225 1.361 21 1HB LYS 3 2HB LYS 3 -7.683 -9.922 -0.284 22 2HB LYS 3 3HB LYS 3 -8.694 -8.558 -0.764 23 1HG LYS 3 2HG LYS 3 -6.420 -7.318 -1.224 24 2HG LYS 3 3HG LYS 3 -5.704 -8.930 -1.057 25 1HD LYS 3 2HD LYS 3 -6.134 -8.833 -3.375 26 2HD LYS 3 3HD LYS 3 -7.572 -9.676 -2.765 27 1HE LYS 3 2HE LYS 3 -8.676 -7.307 -2.618 28 2HE LYS 3 3HE LYS 3 -7.267 -6.740 -3.523 29 1HZ LYS 3 1HZ LYS 3 -7.934 -8.280 -5.291 30 2HZ LYS 3 2HZ LYS 3 -9.272 -8.699 -4.430 31 3HZ LYS 3 3HZ LYS 3 -9.066 -7.144 -4.941 32 H HIS 4 H HIS 4 -6.350 -6.017 1.041 33 HA HIS 4 HA HIS 4 -8.756 -4.252 0.857 34 1HB HIS 4 2HB HIS 4 -6.218 -3.766 2.486 35 2HB HIS 4 3HB HIS 4 -7.604 -2.703 2.367 36 HD1 HIS 4 1HD HIS 4 -9.601 -5.472 2.665 37 HD2 HIS 4 2HD HIS 4 -6.570 -4.012 5.189 38 HE1 HIS 4 1HE HIS 4 -10.122 -6.333 4.996 39 H GLU 5 H GLU 5 -8.638 -2.786 -0.813 40 HA GLU 5 HA GLU 5 -6.168 -2.861 -2.495 41 1HB GLU 5 2HB GLU 5 -9.109 -2.369 -3.078 42 2HB GLU 5 3HB GLU 5 -7.830 -2.058 -4.247 43 1HG GLU 5 2HG GLU 5 -7.104 -4.516 -3.721 44 2HG GLU 5 3HG GLU 5 -8.709 -4.687 -2.996 45 H PHE 6 H PHE 6 -5.212 -1.013 -3.283 46 HA PHE 6 HA PHE 6 -6.342 1.609 -2.563 47 1HB PHE 6 2HB PHE 6 -3.435 0.890 -2.054 48 2HB PHE 6 3HB PHE 6 -4.259 2.370 -1.601 49 HD1 PHE 6 1HD PHE 6 -4.080 -1.319 -0.929 50 HD2 PHE 6 2HD PHE 6 -5.205 2.545 0.666 51 HE1 PHE 6 1HE PHE 6 -4.561 -2.347 1.253 52 HE2 PHE 6 2HE PHE 6 -5.800 1.461 2.788 53 HZ PHE 6 HZ PHE 6 -5.457 -0.963 3.117 54 H SER 7 H SER 7 -5.875 3.184 -4.113 55 HA SER 7 HA SER 7 -4.320 2.343 -6.528 56 1HB SER 7 2HB SER 7 -6.649 3.083 -6.960 57 2HB SER 7 3HB SER 7 -6.289 4.636 -6.174 58 HG SER 7 HG SER 7 -4.868 3.597 -8.424 59 H VAL 8 H VAL 8 -2.611 3.676 -7.241 60 HA VAL 8 HA VAL 8 -1.466 5.444 -5.135 61 HB VAL 8 HB VAL 8 -0.140 3.374 -6.937 62 1HG1 VAL 8 1HG1 VAL 8 1.857 3.853 -5.499 63 2HG1 VAL 8 2HG1 VAL 8 1.372 5.113 -6.638 64 3HG1 VAL 8 3HG1 VAL 8 1.010 5.303 -4.896 65 1HG2 VAL 8 1HG2 VAL 8 0.374 2.237 -4.813 66 2HG2 VAL 8 2HG2 VAL 8 -0.623 3.395 -3.928 67 3HG2 VAL 8 3HG2 VAL 8 -1.371 2.279 -5.099 68 H ASP 9 H ASP 9 -0.180 7.138 -5.805 69 HA ASP 9 HA ASP 9 -0.495 8.132 -8.614 70 1HB ASP 9 2HB ASP 9 -1.627 9.523 -7.048 71 2HB ASP 9 3HB ASP 9 -0.286 9.447 -5.886 72 H MET 10 H MET 10 1.452 6.435 -8.846 73 HA MET 10 HA MET 10 4.013 7.916 -8.336 74 1HB MET 10 2HB MET 10 3.396 4.956 -8.064 75 2HB MET 10 3HB MET 10 5.000 5.690 -8.027 76 1HG MET 10 2HG MET 10 2.875 6.522 -6.018 77 2HG MET 10 3HG MET 10 3.829 5.073 -5.833 78 1HE MET 10 1HE MET 10 4.833 5.613 -3.581 79 2HE MET 10 2HE MET 10 5.481 7.199 -3.117 80 3HE MET 10 3HE MET 10 3.752 7.026 -3.515 81 H THR 11 H THR 11 5.617 7.679 -9.852 82 HA THR 11 HA THR 11 5.204 5.928 -12.182 83 HB THR 11 HB THR 11 5.813 8.877 -12.618 84 HG1 THR 11 1HG THR 11 3.642 9.151 -13.102 85 1HG2 THR 11 1HG2 THR 11 4.659 6.706 -14.440 86 2HG2 THR 11 2HG2 THR 11 5.023 8.379 -14.909 87 3HG2 THR 11 3HG2 THR 11 6.340 7.277 -14.486 88 H CYS 12 H CYS 12 7.062 5.370 -10.158 89 HA CYS 12 HA CYS 12 9.475 5.583 -11.832 90 1HB CYS 12 2HB CYS 12 9.738 7.465 -10.210 91 2HB CYS 12 3HB CYS 12 9.442 6.334 -8.866 92 HG CYS 12 HG CYS 12 11.973 6.807 -8.952 93 H GLY 13 H GLY 13 10.741 3.646 -11.573 94 1HA GLY 13 2HA GLY 13 9.502 1.281 -10.680 95 2HA GLY 13 3HA GLY 13 11.253 1.519 -10.848 96 H GLY 14 H GLY 14 11.702 3.518 -8.964 97 1HA GLY 14 2HA GLY 14 11.929 2.108 -6.522 98 2HA GLY 14 3HA GLY 14 12.188 3.846 -6.760 99 H CYS 15 H CYS 15 9.066 3.559 -7.813 100 HA CYS 15 HA CYS 15 7.864 4.448 -5.402 101 1HB CYS 15 2HB CYS 15 5.891 4.443 -6.400 102 2HB CYS 15 3HB CYS 15 6.988 4.763 -7.758 103 HG CYS 15 HG CYS 15 5.351 2.048 -6.773 104 H ALA 16 H ALA 16 8.449 1.278 -6.932 105 HA ALA 16 HA ALA 16 6.736 -0.237 -5.263 106 1HB ALA 16 1HB ALA 16 7.704 -1.108 -7.387 107 2HB ALA 16 2HB ALA 16 9.324 -1.097 -6.655 108 3HB ALA 16 3HB ALA 16 8.070 -2.185 -6.024 109 H GLU 17 H GLU 17 10.257 0.527 -4.967 110 HA GLU 17 HA GLU 17 10.655 -0.591 -2.411 111 1HB GLU 17 2HB GLU 17 11.844 1.806 -3.861 112 2HB GLU 17 3HB GLU 17 12.391 1.288 -2.273 113 1HG GLU 17 2HG GLU 17 12.157 -0.954 -4.246 114 2HG GLU 17 3HG GLU 17 13.313 0.298 -4.680 115 H ALA 18 H ALA 18 9.371 2.655 -3.334 116 HA ALA 18 HA ALA 18 9.356 3.715 -0.714 117 1HB ALA 18 1HB ALA 18 7.323 4.320 -2.904 118 2HB ALA 18 2HB ALA 18 7.705 5.319 -1.495 119 3HB ALA 18 3HB ALA 18 8.932 5.062 -2.752 120 H VAL 19 H VAL 19 6.671 2.067 -2.442 121 HA VAL 19 HA VAL 19 4.926 2.036 -0.173 122 HB VAL 19 HB VAL 19 4.963 0.248 -2.630 123 1HG1 VAL 19 1HG1 VAL 19 3.658 -0.778 -0.756 124 2HG1 VAL 19 2HG1 VAL 19 2.777 0.753 -0.550 125 3HG1 VAL 19 3HG1 VAL 19 2.599 -0.203 -2.033 126 1HG2 VAL 19 1HG2 VAL 19 3.339 2.751 -1.973 127 2HG2 VAL 19 2HG2 VAL 19 4.649 2.664 -3.164 128 3HG2 VAL 19 3HG2 VAL 19 3.163 1.745 -3.425 129 H SER 20 H SER 20 7.037 -0.544 -1.579 130 HA SER 20 HA SER 20 6.302 -2.531 0.265 131 1HB SER 20 2HB SER 20 8.985 -2.162 -1.163 132 2HB SER 20 3HB SER 20 8.396 -3.665 -0.423 133 HG SER 20 HG SER 20 7.374 -2.257 -2.648 134 H ARG 21 H ARG 21 8.963 -0.116 0.544 135 HA ARG 21 HA ARG 21 9.932 -1.159 3.015 136 1HB ARG 21 2HB ARG 21 10.198 1.595 1.759 137 2HB ARG 21 3HB ARG 21 11.018 1.080 3.243 138 1HG ARG 21 2HG ARG 21 12.080 -0.812 2.021 139 2HG ARG 21 3HG ARG 21 11.337 -0.277 0.520 140 1HD ARG 21 2HD ARG 21 12.489 1.961 0.832 141 2HD ARG 21 3HD ARG 21 13.333 1.236 2.226 142 HE ARG 21 HE ARG 21 13.520 -0.226 -0.355 143 1HH1 ARG 21 2HH2 ARG 21 15.060 2.206 1.691 144 2HH1 ARG 21 1HH2 ARG 21 16.619 2.070 0.934 145 1HH2 ARG 21 2HH1 ARG 21 15.510 -0.257 -1.507 146 2HH2 ARG 21 1HH1 ARG 21 16.895 0.566 -0.880 147 H VAL 22 H VAL 22 7.613 1.710 2.449 148 HA VAL 22 HA VAL 22 7.350 2.126 5.187 149 HB VAL 22 HB VAL 22 6.801 3.658 3.242 150 1HG1 VAL 22 1HG1 VAL 22 4.509 3.698 2.428 151 2HG1 VAL 22 2HG1 VAL 22 5.231 2.130 2.071 152 3HG1 VAL 22 3HG1 VAL 22 4.115 2.302 3.448 153 1HG2 VAL 22 1HG2 VAL 22 6.351 4.296 5.493 154 2HG2 VAL 22 2HG2 VAL 22 4.956 4.772 4.476 155 3HG2 VAL 22 3HG2 VAL 22 4.838 3.345 5.517 156 H LEU 23 H LEU 23 5.388 -0.019 2.998 157 HA LEU 23 HA LEU 23 3.656 -0.880 5.101 158 1HB LEU 23 2HB LEU 23 4.373 -1.941 2.350 159 2HB LEU 23 3HB LEU 23 3.430 -2.905 3.464 160 HG LEU 23 HG LEU 23 2.003 -1.784 1.902 161 1HD1 LEU 23 1HD1 LEU 23 0.376 -0.919 3.540 162 2HD1 LEU 23 2HD1 LEU 23 1.138 -2.417 4.133 163 3HD1 LEU 23 3HD1 LEU 23 1.606 -0.830 4.784 164 1HD2 LEU 23 1HD2 LEU 23 3.328 0.340 1.770 165 2HD2 LEU 23 2HD2 LEU 23 1.579 0.564 1.977 166 3HD2 LEU 23 3HD2 LEU 23 2.663 0.750 3.375 167 H ASN 24 H ASN 24 6.732 -2.338 3.910 168 HA ASN 24 HA ASN 24 6.774 -4.560 5.657 169 1HB ASN 24 2HB ASN 24 8.462 -4.434 3.979 170 2HB ASN 24 3HB ASN 24 8.891 -2.786 4.419 171 1HD2 ASN 24 1HD2 ASN 24 10.047 -2.328 6.255 172 2HD2 ASN 24 2HD2 ASN 24 11.105 -3.545 6.996 173 H LYS 25 H LYS 25 7.777 -1.176 6.152 174 HA LYS 25 HA LYS 25 8.902 -1.440 8.692 175 1HB LYS 25 2HB LYS 25 7.697 0.825 7.100 176 2HB LYS 25 3HB LYS 25 7.871 1.081 8.819 177 1HG LYS 25 2HG LYS 25 10.082 0.331 6.862 178 2HG LYS 25 3HG LYS 25 9.797 1.920 7.558 179 1HD LYS 25 2HD LYS 25 10.908 -0.554 8.961 180 2HD LYS 25 3HD LYS 25 11.652 0.993 8.654 181 1HE LYS 25 2HE LYS 25 11.201 1.312 10.844 182 2HE LYS 25 3HE LYS 25 9.708 1.977 10.181 183 1HZ LYS 25 1HZ LYS 25 9.361 0.470 12.041 184 2HZ LYS 25 2HZ LYS 25 8.648 -0.174 10.723 185 3HZ LYS 25 3HZ LYS 25 10.081 -0.766 11.247 186 H LEU 26 H LEU 26 5.505 -1.256 7.845 187 HA LEU 26 HA LEU 26 4.438 -0.692 10.402 188 1HB LEU 26 2HB LEU 26 3.286 -0.792 8.226 189 2HB LEU 26 3HB LEU 26 3.305 -2.532 8.222 190 HG LEU 26 HG LEU 26 1.213 -1.218 8.850 191 1HD1 LEU 26 1HD1 LEU 26 2.008 -3.526 10.633 192 2HD1 LEU 26 2HD1 LEU 26 0.365 -2.925 10.311 193 3HD1 LEU 26 3HD1 LEU 26 1.316 -3.619 8.991 194 1HD2 LEU 26 1HD2 LEU 26 2.376 -1.240 11.661 195 2HD2 LEU 26 2HD2 LEU 26 2.327 0.212 10.639 196 3HD2 LEU 26 3HD2 LEU 26 0.823 -0.587 11.114 197 H GLY 27 H GLY 27 5.616 -3.720 8.942 198 1HA GLY 27 2HA GLY 27 6.322 -4.927 11.350 199 2HA GLY 27 3HA GLY 27 4.624 -5.382 11.087 200 H GLY 28 H GLY 28 4.090 -6.771 9.377 201 1HA GLY 28 2HA GLY 28 6.109 -7.855 7.544 202 2HA GLY 28 3HA GLY 28 5.564 -8.970 8.818 203 H VAL 29 H VAL 29 3.843 -6.398 7.107 204 HA VAL 29 HA VAL 29 1.433 -7.888 6.752 205 HB VAL 29 HB VAL 29 1.702 -5.396 7.032 206 1HG1 VAL 29 1HG1 VAL 29 3.691 -5.201 5.407 207 2HG1 VAL 29 2HG1 VAL 29 2.477 -5.321 4.109 208 3HG1 VAL 29 3HG1 VAL 29 2.418 -3.987 5.281 209 1HG2 VAL 29 1HG2 VAL 29 -0.433 -6.048 6.249 210 2HG2 VAL 29 2HG2 VAL 29 0.110 -4.735 5.200 211 3HG2 VAL 29 3HG2 VAL 29 0.167 -6.401 4.613 212 H LYS 30 H LYS 30 0.541 -8.832 4.746 213 HA LYS 30 HA LYS 30 2.573 -9.397 2.677 214 1HB LYS 30 2HB LYS 30 0.755 -11.038 3.608 215 2HB LYS 30 3HB LYS 30 -0.307 -10.228 2.450 216 1HG LYS 30 2HG LYS 30 2.383 -11.524 1.820 217 2HG LYS 30 3HG LYS 30 0.823 -12.317 1.606 218 1HD LYS 30 2HD LYS 30 0.169 -10.922 -0.192 219 2HD LYS 30 3HD LYS 30 1.358 -9.689 0.185 220 1HE LYS 30 2HE LYS 30 3.210 -11.242 -0.374 221 2HE LYS 30 3HE LYS 30 1.993 -12.400 -0.973 222 1HZ LYS 30 1HZ LYS 30 2.439 -9.633 -1.953 223 2HZ LYS 30 2HZ LYS 30 2.777 -10.984 -2.807 224 3HZ LYS 30 3HZ LYS 30 1.243 -10.566 -2.473 225 H TYR 31 H TYR 31 2.888 -7.821 1.281 226 HA TYR 31 HA TYR 31 0.637 -6.105 0.307 227 1HB TYR 31 2HB TYR 31 2.479 -4.580 -0.455 228 2HB TYR 31 3HB TYR 31 2.224 -4.697 1.277 229 HD1 TYR 31 HD1 TYR 31 4.096 -4.905 2.670 230 HD2 TYR 31 HD2 TYR 31 4.422 -6.249 -1.414 231 HE1 TYR 31 HE1 TYR 31 6.525 -5.160 2.945 232 HE2 TYR 31 HE2 TYR 31 6.847 -6.493 -1.137 233 HH TYR 31 HH TYR 31 8.639 -6.326 0.308 234 H ASP 32 H ASP 32 0.383 -5.829 -1.952 235 HA ASP 32 HA ASP 32 2.386 -6.990 -3.771 236 1HB ASP 32 2HB ASP 32 -0.651 -7.330 -3.820 237 2HB ASP 32 3HB ASP 32 0.326 -7.369 -5.289 238 H ILE 33 H ILE 33 2.793 -5.568 -5.449 239 HA ILE 33 HA ILE 33 1.448 -2.901 -5.393 240 HB ILE 33 HB ILE 33 4.441 -3.395 -5.542 241 1HG1 ILE 33 2HG1 ILE 33 4.101 -1.877 -3.330 242 2HG1 ILE 33 3HG1 ILE 33 2.607 -2.797 -3.222 243 1HG2 ILE 33 1HG2 ILE 33 4.603 -0.959 -5.322 244 2HG2 ILE 33 2HG2 ILE 33 3.732 -1.393 -6.797 245 3HG2 ILE 33 3HG2 ILE 33 2.843 -0.800 -5.379 246 1HD1 ILE 33 1HD1 ILE 33 4.518 -3.778 -1.975 247 2HD1 ILE 33 2HD1 ILE 33 3.910 -4.900 -3.208 248 3HD1 ILE 33 3HD1 ILE 33 5.402 -3.985 -3.499 249 H ASP 34 H ASP 34 0.392 -2.940 -7.278 250 HA ASP 34 HA ASP 34 1.518 -4.131 -9.727 251 1HB ASP 34 2HB ASP 34 -0.875 -4.386 -9.255 252 2HB ASP 34 3HB ASP 34 -1.064 -2.625 -9.217 253 H LEU 35 H LEU 35 3.141 -2.976 -10.469 254 HA LEU 35 HA LEU 35 3.443 -0.136 -10.194 255 1HB LEU 35 2HB LEU 35 5.337 -1.665 -10.173 256 2HB LEU 35 3HB LEU 35 4.959 -2.228 -11.796 257 HG LEU 35 HG LEU 35 5.447 0.077 -12.682 258 1HD1 LEU 35 1HD1 LEU 35 6.425 0.555 -9.830 259 2HD1 LEU 35 2HD1 LEU 35 6.730 1.625 -11.208 260 3HD1 LEU 35 3HD1 LEU 35 5.076 1.411 -10.621 261 1HD2 LEU 35 1HD2 LEU 35 7.140 -1.723 -12.706 262 2HD2 LEU 35 2HD2 LEU 35 7.890 -0.138 -12.446 263 3HD2 LEU 35 3HD2 LEU 35 7.676 -1.250 -11.078 264 HA PRO 36 HA PRO 36 2.626 -0.006 -14.941 265 1HB PRO 36 2HB PRO 36 0.817 -1.854 -16.000 266 2HB PRO 36 3HB PRO 36 2.594 -1.928 -16.132 267 1HG PRO 36 2HG PRO 36 0.817 -3.326 -14.142 268 2HG PRO 36 3HG PRO 36 2.202 -3.998 -15.043 269 1HD PRO 36 2HD PRO 36 2.474 -3.245 -12.509 270 2HD PRO 36 3HD PRO 36 3.765 -2.846 -13.674 271 H ASN 37 H ASN 37 -0.066 -1.398 -12.954 272 HA ASN 37 HA ASN 37 -1.932 0.633 -14.031 273 1HB ASN 37 2HB ASN 37 -2.429 -1.637 -12.082 274 2HB ASN 37 3HB ASN 37 -3.637 -0.613 -12.829 275 1HD2 ASN 37 1HD2 ASN 37 -2.022 -3.582 -13.153 276 2HD2 ASN 37 2HD2 ASN 37 -2.381 -3.858 -14.859 277 H LYS 38 H LYS 38 0.201 0.383 -11.336 278 HA LYS 38 HA LYS 38 0.500 1.635 -9.492 279 1HB LYS 38 2HB LYS 38 -1.333 3.716 -10.770 280 2HB LYS 38 3HB LYS 38 -0.298 3.895 -9.354 281 1HG LYS 38 2HG LYS 38 0.979 4.874 -10.949 282 2HG LYS 38 3HG LYS 38 1.682 3.248 -10.859 283 1HD LYS 38 2HD LYS 38 0.204 2.666 -12.857 284 2HD LYS 38 3HD LYS 38 -0.263 4.369 -12.943 285 1HE LYS 38 2HE LYS 38 2.092 4.984 -13.387 286 2HE LYS 38 3HE LYS 38 2.609 3.317 -13.074 287 1HZ LYS 38 1HZ LYS 38 2.453 3.632 -15.403 288 2HZ LYS 38 2HZ LYS 38 1.249 2.606 -14.929 289 3HZ LYS 38 3HZ LYS 38 0.892 4.163 -15.304 290 H LYS 39 H LYS 39 -0.872 -0.364 -8.948 291 HA LYS 39 HA LYS 39 -2.917 0.612 -7.024 292 1HB LYS 39 2HB LYS 39 -3.170 -1.910 -8.724 293 2HB LYS 39 3HB LYS 39 -4.033 -1.607 -7.213 294 1HG LYS 39 2HG LYS 39 -4.986 0.501 -8.238 295 2HG LYS 39 3HG LYS 39 -4.213 0.047 -9.761 296 1HD LYS 39 2HD LYS 39 -6.532 -0.628 -9.828 297 2HD LYS 39 3HD LYS 39 -5.520 -2.083 -9.776 298 1HE LYS 39 2HE LYS 39 -6.021 -2.392 -7.367 299 2HE LYS 39 3HE LYS 39 -6.873 -0.843 -7.312 300 1HZ LYS 39 1HZ LYS 39 -8.555 -1.816 -8.723 301 2HZ LYS 39 2HZ LYS 39 -7.698 -3.234 -8.825 302 3HZ LYS 39 3HZ LYS 39 -8.289 -2.746 -7.393 303 H VAL 40 H VAL 40 -2.933 -0.604 -5.036 304 HA VAL 40 HA VAL 40 -0.696 -2.440 -4.592 305 HB VAL 40 HB VAL 40 -1.567 0.148 -3.272 306 1HG1 VAL 40 1HG1 VAL 40 -0.326 -0.485 -1.234 307 2HG1 VAL 40 2HG1 VAL 40 -1.852 -1.350 -1.508 308 3HG1 VAL 40 3HG1 VAL 40 -0.296 -2.176 -1.820 309 1HG2 VAL 40 1HG2 VAL 40 0.404 0.006 -4.825 310 2HG2 VAL 40 2HG2 VAL 40 0.801 0.577 -3.189 311 3HG2 VAL 40 3HG2 VAL 40 1.168 -1.098 -3.671 312 H CYS 41 H CYS 41 -1.396 -4.173 -3.341 313 HA CYS 41 HA CYS 41 -4.163 -4.109 -2.264 314 1HB CYS 41 2HB CYS 41 -3.144 -6.434 -3.955 315 2HB CYS 41 3HB CYS 41 -4.721 -6.255 -3.144 316 HG CYS 41 HG CYS 41 -5.261 -3.955 -4.451 317 H ILE 42 H ILE 42 -4.244 -5.100 -0.267 318 HA ILE 42 HA ILE 42 -1.702 -6.319 0.713 319 HB ILE 42 HB ILE 42 -3.251 -4.081 2.061 320 1HG1 ILE 42 2HG1 ILE 42 -0.772 -3.957 0.290 321 2HG1 ILE 42 3HG1 ILE 42 -2.315 -3.110 0.064 322 1HG2 ILE 42 1HG2 ILE 42 -1.918 -5.595 3.569 323 2HG2 ILE 42 2HG2 ILE 42 -0.468 -5.167 2.631 324 3HG2 ILE 42 3HG2 ILE 42 -1.344 -3.942 3.563 325 1HD1 ILE 42 1HD1 ILE 42 -1.846 -1.800 2.149 326 2HD1 ILE 42 2HD1 ILE 42 -0.246 -2.594 2.182 327 3HD1 ILE 42 3HD1 ILE 42 -0.679 -1.537 0.844 328 H GLU 43 H GLU 43 -1.936 -7.775 2.402 329 HA GLU 43 HA GLU 43 -4.637 -8.247 3.533 330 1HB GLU 43 2HB GLU 43 -4.321 -9.751 1.595 331 2HB GLU 43 3HB GLU 43 -2.851 -10.411 2.331 332 1HG GLU 43 2HG GLU 43 -5.562 -10.487 3.728 333 2HG GLU 43 3HG GLU 43 -5.036 -11.739 2.595 334 H SER 44 H SER 44 -4.386 -8.168 5.691 335 HA SER 44 HA SER 44 -2.746 -9.979 6.937 336 1HB SER 44 2HB SER 44 -0.967 -8.208 6.711 337 2HB SER 44 3HB SER 44 -1.966 -7.171 7.731 338 HG SER 44 HG SER 44 -0.818 -9.691 8.390 339 H GLU 45 H GLU 45 -3.219 -9.984 9.330 340 HA GLU 45 HA GLU 45 -6.054 -9.505 9.657 341 1HB GLU 45 2HB GLU 45 -5.697 -10.778 11.825 342 2HB GLU 45 3HB GLU 45 -5.579 -11.613 10.275 343 1HG GLU 45 2HG GLU 45 -3.236 -11.641 10.296 344 2HG GLU 45 3HG GLU 45 -3.159 -10.465 11.637 345 H HIS 46 H HIS 46 -5.098 -7.052 9.505 346 HA HIS 46 HA HIS 46 -5.789 -6.010 12.209 347 1HB HIS 46 2HB HIS 46 -4.202 -4.107 11.906 348 2HB HIS 46 3HB HIS 46 -3.405 -5.667 12.095 349 HD1 HIS 46 1HD HIS 46 -4.760 -4.207 8.742 350 HD2 HIS 46 2HD HIS 46 -1.221 -5.389 10.716 351 HE1 HIS 46 1HE HIS 46 -2.992 -4.464 6.979 352 H SER 47 H SER 47 -6.108 -3.354 11.601 353 HA SER 47 HA SER 47 -8.493 -3.457 9.940 354 1HB SER 47 2HB SER 47 -8.387 -2.047 11.943 355 2HB SER 47 3HB SER 47 -7.068 -1.102 11.232 356 HG SER 47 HG SER 47 -9.194 -0.167 10.965 357 H MET 48 H MET 48 -8.738 -1.523 8.479 358 HA MET 48 HA MET 48 -6.803 -1.425 6.238 359 1HB MET 48 2HB MET 48 -9.333 0.190 6.828 360 2HB MET 48 3HB MET 48 -8.411 0.207 5.317 361 1HG MET 48 2HG MET 48 -8.977 -2.134 4.915 362 2HG MET 48 3HG MET 48 -9.812 -2.234 6.478 363 1HE MET 48 1HE MET 48 -11.900 -3.282 5.363 364 2HE MET 48 2HE MET 48 -12.766 -2.547 3.994 365 3HE MET 48 3HE MET 48 -11.123 -3.192 3.761 366 H ASP 49 H ASP 49 -8.083 0.418 8.975 367 HA ASP 49 HA ASP 49 -6.987 2.940 8.675 368 1HB ASP 49 2HB ASP 49 -8.495 2.496 10.494 369 2HB ASP 49 3HB ASP 49 -7.408 1.273 11.185 370 H THR 50 H THR 50 -5.524 0.262 10.366 371 HA THR 50 HA THR 50 -3.046 1.105 11.059 372 HB THR 50 HB THR 50 -3.599 -1.586 9.718 373 HG1 THR 50 1HG THR 50 -4.398 -0.632 12.261 374 1HG2 THR 50 1HG2 THR 50 -1.891 -0.786 12.121 375 2HG2 THR 50 2HG2 THR 50 -2.148 -2.443 11.535 376 3HG2 THR 50 3HG2 THR 50 -1.306 -1.264 10.511 377 H LEU 51 H LEU 51 -4.000 -0.047 7.791 378 HA LEU 51 HA LEU 51 -1.303 0.192 6.705 379 1HB LEU 51 2HB LEU 51 -3.998 -0.130 5.304 380 2HB LEU 51 3HB LEU 51 -2.402 -0.261 4.557 381 HG LEU 51 HG LEU 51 -3.461 -2.054 6.816 382 1HD1 LEU 51 1HD1 LEU 51 -3.241 -2.467 3.822 383 2HD1 LEU 51 2HD1 LEU 51 -3.535 -3.782 4.974 384 3HD1 LEU 51 3HD1 LEU 51 -4.703 -2.468 4.824 385 1HD2 LEU 51 1HD2 LEU 51 -0.853 -1.924 5.275 386 2HD2 LEU 51 2HD2 LEU 51 -1.079 -1.996 7.037 387 3HD2 LEU 51 3HD2 LEU 51 -1.379 -3.414 6.039 388 H LEU 52 H LEU 52 -4.377 2.021 6.443 389 HA LEU 52 HA LEU 52 -3.442 3.996 4.662 390 1HB LEU 52 2HB LEU 52 -5.565 3.887 6.795 391 2HB LEU 52 3HB LEU 52 -5.278 5.395 5.926 392 HG LEU 52 HG LEU 52 -5.609 2.791 4.440 393 1HD1 LEU 52 1HD1 LEU 52 -7.532 2.847 5.928 394 2HD1 LEU 52 2HD1 LEU 52 -7.930 4.496 5.393 395 3HD1 LEU 52 3HD1 LEU 52 -8.023 3.129 4.254 396 1HD2 LEU 52 1HD2 LEU 52 -6.330 5.679 3.741 397 2HD2 LEU 52 2HD2 LEU 52 -4.888 4.819 3.166 398 3HD2 LEU 52 3HD2 LEU 52 -6.490 4.286 2.662 399 H ALA 53 H ALA 53 -3.484 4.096 8.243 400 HA ALA 53 HA ALA 53 -2.066 6.502 8.592 401 1HB ALA 53 1HB ALA 53 -2.089 3.999 10.347 402 2HB ALA 53 2HB ALA 53 -1.608 5.629 10.866 403 3HB ALA 53 3HB ALA 53 -3.290 5.305 10.399 404 H THR 54 H THR 54 -0.733 3.177 8.332 405 HA THR 54 HA THR 54 1.994 3.931 8.511 406 HB THR 54 HB THR 54 0.656 1.723 6.876 407 HG1 THR 54 1HG THR 54 0.278 1.480 9.022 408 1HG2 THR 54 1HG2 THR 54 3.566 1.907 7.701 409 2HG2 THR 54 2HG2 THR 54 2.746 0.625 6.773 410 3HG2 THR 54 3HG2 THR 54 2.964 2.194 6.049 411 H LEU 55 H LEU 55 0.153 3.387 5.457 412 HA LEU 55 HA LEU 55 2.401 4.074 3.898 413 1HB LEU 55 2HB LEU 55 0.996 3.643 2.037 414 2HB LEU 55 3HB LEU 55 0.682 2.485 3.297 415 HG LEU 55 HG LEU 55 -1.288 4.057 3.954 416 1HD1 LEU 55 1HD1 LEU 55 -0.161 5.477 1.860 417 2HD1 LEU 55 2HD1 LEU 55 -1.571 4.707 1.130 418 3HD1 LEU 55 3HD1 LEU 55 -1.775 5.748 2.566 419 1HD2 LEU 55 1HD2 LEU 55 -1.284 2.333 1.443 420 2HD2 LEU 55 2HD2 LEU 55 -1.527 1.759 3.104 421 3HD2 LEU 55 3HD2 LEU 55 -2.736 2.821 2.353 422 H LYS 56 H LYS 56 -0.434 5.934 4.831 423 HA LYS 56 HA LYS 56 -0.329 8.298 3.484 424 1HB LYS 56 2HB LYS 56 -0.743 7.600 6.385 425 2HB LYS 56 3HB LYS 56 -0.590 9.293 6.018 426 1HG LYS 56 2HG LYS 56 -2.384 9.246 4.400 427 2HG LYS 56 3HG LYS 56 -2.582 7.490 4.600 428 1HD LYS 56 2HD LYS 56 -3.008 7.809 7.017 429 2HD LYS 56 3HD LYS 56 -2.859 9.552 6.852 430 1HE LYS 56 2HE LYS 56 -4.974 7.770 5.512 431 2HE LYS 56 3HE LYS 56 -5.240 8.767 6.947 432 1HZ LYS 56 1HZ LYS 56 -4.573 9.774 4.259 433 2HZ LYS 56 2HZ LYS 56 -6.039 9.853 4.993 434 3HZ LYS 56 3HZ LYS 56 -4.775 10.712 5.598 435 H LYS 57 H LYS 57 2.083 7.287 5.904 436 HA LYS 57 HA LYS 57 3.304 9.841 6.207 437 1HB LYS 57 2HB LYS 57 4.201 7.014 6.743 438 2HB LYS 57 3HB LYS 57 5.167 8.439 7.207 439 1HG LYS 57 2HG LYS 57 3.165 9.256 8.498 440 2HG LYS 57 3HG LYS 57 2.319 7.769 8.091 441 1HD LYS 57 2HD LYS 57 4.998 7.778 9.546 442 2HD LYS 57 3HD LYS 57 3.449 7.956 10.395 443 1HE LYS 57 2HE LYS 57 2.625 5.850 9.427 444 2HE LYS 57 3HE LYS 57 4.169 5.590 8.593 445 1HZ LYS 57 1HZ LYS 57 4.018 4.355 10.627 446 2HZ LYS 57 2HZ LYS 57 5.212 5.479 10.765 447 3HZ LYS 57 3HZ LYS 57 3.759 5.715 11.511 448 H THR 58 H THR 58 3.499 7.747 3.407 449 HA THR 58 HA THR 58 6.104 8.695 2.542 450 HB THR 58 HB THR 58 5.334 8.000 0.294 451 HG1 THR 58 1HG THR 58 3.078 8.434 0.607 452 1HG2 THR 58 1HG2 THR 58 6.358 6.400 1.875 453 2HG2 THR 58 2HG2 THR 58 4.739 6.018 2.508 454 3HG2 THR 58 3HG2 THR 58 5.152 5.614 0.825 455 H GLY 59 H GLY 59 2.959 10.179 2.813 456 1HA GLY 59 2HA GLY 59 2.262 12.267 2.316 457 2HA GLY 59 3HA GLY 59 3.947 12.692 1.932 458 H LYS 60 H LYS 60 1.849 10.223 0.412 459 HA LYS 60 HA LYS 60 1.809 11.695 -2.162 460 1HB LYS 60 2HB LYS 60 2.812 8.948 -1.418 461 2HB LYS 60 3HB LYS 60 2.108 9.155 -2.993 462 1HG LYS 60 2HG LYS 60 4.361 10.896 -1.825 463 2HG LYS 60 3HG LYS 60 4.594 9.490 -2.830 464 1HD LYS 60 2HD LYS 60 3.318 12.166 -3.633 465 2HD LYS 60 3HD LYS 60 4.829 11.469 -4.209 466 1HE LYS 60 2HE LYS 60 3.614 9.611 -5.278 467 2HE LYS 60 3HE LYS 60 2.053 10.265 -4.755 468 1HZ LYS 60 1HZ LYS 60 2.741 10.656 -7.006 469 2HZ LYS 60 2HZ LYS 60 2.040 11.858 -6.244 470 3HZ LYS 60 3HZ LYS 60 3.708 11.909 -6.492 471 H THR 61 H THR 61 0.156 11.238 -3.548 472 HA THR 61 HA THR 61 -2.307 11.145 -2.292 473 HB THR 61 HB THR 61 -2.077 10.942 -5.266 474 HG1 THR 61 1HG THR 61 -0.505 12.269 -5.449 475 1HG2 THR 61 1HG2 THR 61 -3.197 13.113 -3.443 476 2HG2 THR 61 2HG2 THR 61 -3.404 12.997 -5.202 477 3HG2 THR 61 3HG2 THR 61 -4.140 11.774 -4.144 478 H VAL 62 H VAL 62 -1.260 8.608 -1.813 479 HA VAL 62 HA VAL 62 -2.640 6.686 -3.570 480 HB VAL 62 HB VAL 62 -0.578 5.831 -2.888 481 1HG1 VAL 62 1HG1 VAL 62 0.172 7.314 -1.193 482 2HG1 VAL 62 2HG1 VAL 62 -1.137 6.837 -0.086 483 3HG1 VAL 62 3HG1 VAL 62 0.174 5.703 -0.497 484 1HG2 VAL 62 1HG2 VAL 62 -2.380 4.165 -2.582 485 2HG2 VAL 62 2HG2 VAL 62 -1.045 3.904 -1.458 486 3HG2 VAL 62 3HG2 VAL 62 -2.551 4.641 -0.889 487 H SER 63 H SER 63 -4.526 5.527 -2.884 488 HA SER 63 HA SER 63 -5.721 6.143 -0.276 489 1HB SER 63 2HB SER 63 -6.814 7.322 -2.859 490 2HB SER 63 3HB SER 63 -7.850 7.040 -1.449 491 HG SER 63 HG SER 63 -5.422 8.394 -1.062 492 H TYR 64 H TYR 64 -7.676 5.001 0.111 493 HA TYR 64 HA TYR 64 -7.410 2.251 -0.732 494 1HB TYR 64 2HB TYR 64 -7.658 2.754 1.572 495 2HB TYR 64 3HB TYR 64 -9.066 3.777 1.291 496 HD1 TYR 64 HD1 TYR 64 -7.849 0.243 1.152 497 HD2 TYR 64 HD2 TYR 64 -11.273 2.864 1.265 498 HE1 TYR 64 HE1 TYR 64 -9.338 -1.702 1.403 499 HE2 TYR 64 HE2 TYR 64 -12.763 0.894 1.487 500 HH TYR 64 HH TYR 64 -11.461 -2.381 1.128 501 H LEU 65 H LEU 65 -8.787 1.051 -2.087 502 HA LEU 65 HA LEU 65 -11.555 1.755 -2.311 503 1HB LEU 65 2HB LEU 65 -11.618 1.796 -4.738 504 2HB LEU 65 3HB LEU 65 -10.883 3.199 -3.975 505 HG LEU 65 HG LEU 65 -9.482 3.053 -5.656 506 1HD1 LEU 65 1HD1 LEU 65 -7.464 1.746 -5.364 507 2HD1 LEU 65 2HD1 LEU 65 -7.936 2.669 -3.908 508 3HD1 LEU 65 3HD1 LEU 65 -8.180 0.890 -4.012 509 1HD2 LEU 65 1HD2 LEU 65 -9.046 1.331 -7.124 510 2HD2 LEU 65 2HD2 LEU 65 -9.264 0.085 -5.898 511 3HD2 LEU 65 3HD2 LEU 65 -10.695 0.904 -6.599 512 H GLY 66 H GLY 66 -11.507 -0.401 -1.147 513 1HA GLY 66 2HA GLY 66 -13.005 -2.105 -2.324 514 2HA GLY 66 3HA GLY 66 -11.558 -2.617 -3.194 515 H LEU 67 H LEU 67 -13.237 -4.235 -1.386 516 HA LEU 67 HA LEU 67 -11.262 -5.085 0.616 517 1HB LEU 67 2HB LEU 67 -12.827 -3.943 1.974 518 2HB LEU 67 3HB LEU 67 -14.154 -4.238 0.848 519 HG LEU 67 HG LEU 67 -14.205 -6.586 1.467 520 1HD1 LEU 67 1HD1 LEU 67 -12.253 -5.750 3.687 521 2HD1 LEU 67 2HD1 LEU 67 -13.050 -7.332 3.556 522 3HD1 LEU 67 3HD1 LEU 67 -11.850 -6.846 2.352 523 1HD2 LEU 67 1HD2 LEU 67 -15.712 -4.965 2.520 524 2HD2 LEU 67 2HD2 LEU 67 -15.267 -6.230 3.677 525 3HD2 LEU 67 3HD2 LEU 67 -14.508 -4.626 3.782 526 H GLU 68 H GLU 68 -10.988 -7.329 0.326 527 HA GLU 68 HA GLU 68 -13.207 -8.899 -0.784 528 1HB GLU 68 2HB GLU 68 -11.672 -8.165 -2.701 529 2HB GLU 68 3HB GLU 68 -10.410 -9.152 -1.952 530 1HG GLU 68 2HG GLU 68 -11.809 -11.159 -2.209 531 2HG GLU 68 3HG GLU 68 -13.114 -10.174 -2.898 Start of MODEL 21 1 1H MET 1 H1 MET 1 -6.731 -10.222 7.056 2 2H MET 1 H2 MET 1 -6.383 -11.630 7.864 3 3H MET 1 H3 MET 1 -5.995 -11.420 6.286 4 HA MET 1 HA MET 1 -7.715 -12.922 6.388 5 1HB MET 1 2HB MET 1 -9.127 -10.865 8.073 6 2HB MET 1 3HB MET 1 -10.032 -12.060 7.106 7 1HG MET 1 2HG MET 1 -8.882 -13.888 8.245 8 2HG MET 1 3HG MET 1 -7.919 -12.730 9.165 9 1HE MET 1 1HE MET 1 -10.152 -14.199 11.957 10 2HE MET 1 2HE MET 1 -9.375 -15.041 10.594 11 3HE MET 1 3HE MET 1 -8.499 -13.762 11.469 12 HA PRO 2 HA PRO 2 -9.669 -10.511 2.947 13 1HB PRO 2 2HB PRO 2 -10.529 -7.973 3.078 14 2HB PRO 2 3HB PRO 2 -11.482 -9.279 3.848 15 1HG PRO 2 2HG PRO 2 -9.485 -7.410 5.172 16 2HG PRO 2 3HG PRO 2 -11.148 -7.775 5.712 17 1HD PRO 2 2HD PRO 2 -8.951 -9.058 6.717 18 2HD PRO 2 3HD PRO 2 -10.527 -9.892 6.485 19 H LYS 3 H LYS 3 -8.867 -8.964 1.239 20 HA LYS 3 HA LYS 3 -6.379 -7.558 2.077 21 1HB LYS 3 2HB LYS 3 -5.429 -7.797 0.008 22 2HB LYS 3 3HB LYS 3 -6.283 -9.338 0.220 23 1HG LYS 3 2HG LYS 3 -8.259 -8.009 -0.859 24 2HG LYS 3 3HG LYS 3 -7.017 -6.903 -1.417 25 1HD LYS 3 2HD LYS 3 -6.133 -8.435 -2.938 26 2HD LYS 3 3HD LYS 3 -6.592 -9.852 -1.981 27 1HE LYS 3 2HE LYS 3 -8.613 -8.055 -3.402 28 2HE LYS 3 3HE LYS 3 -7.929 -9.508 -4.132 29 1HZ LYS 3 1HZ LYS 3 -8.897 -10.818 -2.367 30 2HZ LYS 3 2HZ LYS 3 -9.498 -9.504 -1.601 31 3HZ LYS 3 3HZ LYS 3 -10.049 -9.917 -3.091 32 H HIS 4 H HIS 4 -6.037 -5.456 1.313 33 HA HIS 4 HA HIS 4 -8.542 -3.841 1.033 34 1HB HIS 4 2HB HIS 4 -5.908 -2.999 2.286 35 2HB HIS 4 3HB HIS 4 -7.500 -2.251 2.461 36 HD1 HIS 4 1HD HIS 4 -5.443 -5.276 3.658 37 HD2 HIS 4 2HD HIS 4 -9.222 -3.528 4.202 38 HE1 HIS 4 1HE HIS 4 -6.476 -6.396 5.712 39 H GLU 5 H GLU 5 -8.553 -2.466 -0.816 40 HA GLU 5 HA GLU 5 -6.104 -2.642 -2.518 41 1HB GLU 5 2HB GLU 5 -9.043 -2.473 -3.253 42 2HB GLU 5 3HB GLU 5 -7.691 -2.302 -4.376 43 1HG GLU 5 2HG GLU 5 -6.883 -4.582 -3.359 44 2HG GLU 5 3HG GLU 5 -8.537 -4.737 -2.756 45 H PHE 6 H PHE 6 -5.152 -0.898 -3.266 46 HA PHE 6 HA PHE 6 -6.370 1.772 -2.821 47 1HB PHE 6 2HB PHE 6 -3.446 1.045 -2.358 48 2HB PHE 6 3HB PHE 6 -4.230 2.536 -1.879 49 HD1 PHE 6 1HD PHE 6 -6.622 1.360 -0.389 50 HD2 PHE 6 2HD PHE 6 -2.431 0.446 -0.293 51 HE1 PHE 6 1HE PHE 6 -6.897 0.408 1.879 52 HE2 PHE 6 2HE PHE 6 -2.702 -0.484 1.983 53 HZ PHE 6 HZ PHE 6 -4.929 -0.538 3.067 54 H SER 7 H SER 7 -5.907 3.249 -4.452 55 HA SER 7 HA SER 7 -4.245 2.287 -6.752 56 1HB SER 7 2HB SER 7 -6.658 3.095 -7.195 57 2HB SER 7 3HB SER 7 -6.037 4.721 -6.839 58 HG SER 7 HG SER 7 -4.440 4.252 -8.525 59 H VAL 8 H VAL 8 -2.425 3.472 -7.288 60 HA VAL 8 HA VAL 8 -1.469 5.453 -5.285 61 HB VAL 8 HB VAL 8 -0.066 3.145 -6.744 62 1HG1 VAL 8 1HG1 VAL 8 1.789 3.625 -5.110 63 2HG1 VAL 8 2HG1 VAL 8 1.526 4.949 -6.240 64 3HG1 VAL 8 3HG1 VAL 8 0.912 5.076 -4.577 65 1HG2 VAL 8 1HG2 VAL 8 -0.968 3.444 -3.831 66 2HG2 VAL 8 2HG2 VAL 8 -1.548 2.233 -4.995 67 3HG2 VAL 8 3HG2 VAL 8 0.116 2.183 -4.410 68 H ASP 9 H ASP 9 0.038 7.021 -6.123 69 HA ASP 9 HA ASP 9 0.217 7.258 -9.108 70 1HB ASP 9 2HB ASP 9 -0.406 9.381 -8.202 71 2HB ASP 9 3HB ASP 9 0.814 9.263 -6.913 72 H MET 10 H MET 10 1.615 5.439 -9.316 73 HA MET 10 HA MET 10 4.204 5.507 -7.884 74 1HB MET 10 2HB MET 10 3.288 3.659 -10.108 75 2HB MET 10 3HB MET 10 4.786 3.548 -9.179 76 1HG MET 10 2HG MET 10 3.425 3.309 -7.082 77 2HG MET 10 3HG MET 10 1.964 3.290 -8.087 78 1HE MET 10 1HE MET 10 2.003 -0.397 -7.002 79 2HE MET 10 2HE MET 10 2.380 1.034 -6.005 80 3HE MET 10 3HE MET 10 1.039 1.077 -7.179 81 H THR 11 H THR 11 4.793 7.658 -8.529 82 HA THR 11 HA THR 11 4.824 8.472 -11.230 83 HB THR 11 HB THR 11 6.705 9.773 -9.299 84 HG1 THR 11 1HG THR 11 3.919 9.804 -8.784 85 1HG2 THR 11 1HG2 THR 11 5.980 10.854 -11.421 86 2HG2 THR 11 2HG2 THR 11 4.295 10.816 -10.854 87 3HG2 THR 11 3HG2 THR 11 5.502 11.797 -9.994 88 H CYS 12 H CYS 12 7.131 6.639 -9.315 89 HA CYS 12 HA CYS 12 8.846 6.266 -11.648 90 1HB CYS 12 2HB CYS 12 9.962 8.183 -10.469 91 2HB CYS 12 3HB CYS 12 9.936 7.246 -8.957 92 HG CYS 12 HG CYS 12 11.422 6.597 -11.827 93 H GLY 13 H GLY 13 10.030 4.196 -11.299 94 1HA GLY 13 2HA GLY 13 8.594 2.117 -10.138 95 2HA GLY 13 3HA GLY 13 10.341 2.089 -10.448 96 H GLY 14 H GLY 14 11.217 4.077 -8.693 97 1HA GLY 14 2HA GLY 14 11.542 2.754 -6.276 98 2HA GLY 14 3HA GLY 14 11.811 4.489 -6.515 99 H CYS 15 H CYS 15 8.720 4.584 -7.229 100 HA CYS 15 HA CYS 15 7.681 5.298 -4.657 101 1HB CYS 15 2HB CYS 15 6.266 4.555 -7.208 102 2HB CYS 15 3HB CYS 15 5.479 5.097 -5.709 103 HG CYS 15 HG CYS 15 7.919 6.675 -7.218 104 H ALA 16 H ALA 16 7.637 2.292 -6.628 105 HA ALA 16 HA ALA 16 5.906 0.831 -4.856 106 1HB ALA 16 1HB ALA 16 7.924 -0.141 -6.943 107 2HB ALA 16 2HB ALA 16 6.683 -1.139 -6.180 108 3HB ALA 16 3HB ALA 16 6.202 0.206 -7.236 109 H GLU 17 H GLU 17 9.452 1.096 -5.227 110 HA GLU 17 HA GLU 17 10.179 -0.700 -3.163 111 1HB GLU 17 2HB GLU 17 11.567 1.902 -3.947 112 2HB GLU 17 3HB GLU 17 12.251 0.579 -3.009 113 1HG GLU 17 2HG GLU 17 12.027 -0.959 -4.908 114 2HG GLU 17 3HG GLU 17 11.317 0.334 -5.888 115 H ALA 18 H ALA 18 9.353 2.801 -3.041 116 HA ALA 18 HA ALA 18 9.894 3.174 -0.280 117 1HB ALA 18 1HB ALA 18 8.508 5.171 -0.432 118 2HB ALA 18 2HB ALA 18 9.521 5.033 -1.888 119 3HB ALA 18 3HB ALA 18 7.790 4.619 -1.950 120 H VAL 19 H VAL 19 6.812 2.433 -1.945 121 HA VAL 19 HA VAL 19 5.163 2.126 0.300 122 HB VAL 19 HB VAL 19 5.105 0.745 -2.399 123 1HG1 VAL 19 1HG1 VAL 19 3.862 -0.677 -0.780 124 2HG1 VAL 19 2HG1 VAL 19 2.966 0.753 -0.223 125 3HG1 VAL 19 3HG1 VAL 19 2.768 0.154 -1.880 126 1HG2 VAL 19 1HG2 VAL 19 4.734 3.253 -2.325 127 2HG2 VAL 19 2HG2 VAL 19 3.312 2.347 -2.862 128 3HG2 VAL 19 3HG2 VAL 19 3.394 2.979 -1.205 129 H SER 20 H SER 20 7.102 -0.390 -1.412 130 HA SER 20 HA SER 20 6.544 -2.544 0.295 131 1HB SER 20 2HB SER 20 7.763 -2.705 -1.875 132 2HB SER 20 3HB SER 20 9.149 -1.863 -1.183 133 HG SER 20 HG SER 20 9.484 -4.075 -1.206 134 H ARG 21 H ARG 21 9.223 -0.127 0.680 135 HA ARG 21 HA ARG 21 10.211 -1.365 3.028 136 1HB ARG 21 2HB ARG 21 10.407 1.606 2.360 137 2HB ARG 21 3HB ARG 21 11.406 0.670 3.474 138 1HG ARG 21 2HG ARG 21 11.836 -0.795 1.217 139 2HG ARG 21 3HG ARG 21 11.433 0.767 0.495 140 1HD ARG 21 2HD ARG 21 13.721 0.783 0.632 141 2HD ARG 21 3HD ARG 21 13.175 1.852 1.946 142 HE ARG 21 HE ARG 21 13.442 -0.725 3.044 143 1HH1 ARG 21 2HH2 ARG 21 15.546 1.649 1.516 144 2HH1 ARG 21 1HH2 ARG 21 17.018 1.074 2.234 145 1HH2 ARG 21 2HH1 ARG 21 15.382 -1.548 4.021 146 2HH2 ARG 21 1HH1 ARG 21 16.908 -0.784 3.717 147 H VAL 22 H VAL 22 7.838 1.477 2.810 148 HA VAL 22 HA VAL 22 7.687 1.652 5.595 149 HB VAL 22 HB VAL 22 7.206 3.438 4.011 150 1HG1 VAL 22 1HG1 VAL 22 5.013 3.619 2.952 151 2HG1 VAL 22 2HG1 VAL 22 5.870 2.189 2.368 152 3HG1 VAL 22 3HG1 VAL 22 4.565 2.018 3.561 153 1HG2 VAL 22 1HG2 VAL 22 6.444 3.502 6.329 154 2HG2 VAL 22 2HG2 VAL 22 5.328 4.366 5.231 155 3HG2 VAL 22 3HG2 VAL 22 4.902 2.746 5.831 156 H LEU 23 H LEU 23 5.597 -0.195 3.236 157 HA LEU 23 HA LEU 23 3.860 -1.164 5.223 158 1HB LEU 23 2HB LEU 23 4.597 -2.076 2.438 159 2HB LEU 23 3HB LEU 23 3.634 -3.104 3.478 160 HG LEU 23 HG LEU 23 2.259 -1.816 1.972 161 1HD1 LEU 23 1HD1 LEU 23 0.585 -1.154 3.678 162 2HD1 LEU 23 2HD1 LEU 23 1.343 -2.704 4.104 163 3HD1 LEU 23 3HD1 LEU 23 1.803 -1.204 4.937 164 1HD2 LEU 23 1HD2 LEU 23 2.943 0.544 3.714 165 2HD2 LEU 23 2HD2 LEU 23 3.534 0.299 2.050 166 3HD2 LEU 23 3HD2 LEU 23 1.802 0.508 2.346 167 H ASN 24 H ASN 24 6.915 -2.596 3.988 168 HA ASN 24 HA ASN 24 6.995 -4.883 5.648 169 1HB ASN 24 2HB ASN 24 8.661 -4.642 3.950 170 2HB ASN 24 3HB ASN 24 9.074 -3.024 4.464 171 1HD2 ASN 24 1HD2 ASN 24 10.170 -2.652 6.398 172 2HD2 ASN 24 2HD2 ASN 24 11.279 -3.881 7.042 173 H LYS 25 H LYS 25 7.990 -1.510 6.296 174 HA LYS 25 HA LYS 25 9.028 -1.949 8.895 175 1HB LYS 25 2HB LYS 25 8.029 0.448 7.348 176 2HB LYS 25 3HB LYS 25 8.230 0.632 9.068 177 1HG LYS 25 2HG LYS 25 10.381 -0.201 7.073 178 2HG LYS 25 3HG LYS 25 10.208 1.375 7.840 179 1HD LYS 25 2HD LYS 25 11.081 -1.241 9.126 180 2HD LYS 25 3HD LYS 25 11.976 0.266 8.960 181 1HE LYS 25 2HE LYS 25 10.352 1.389 10.521 182 2HE LYS 25 3HE LYS 25 9.510 -0.158 10.737 183 1HZ LYS 25 1HZ LYS 25 11.491 -1.083 11.657 184 2HZ LYS 25 2HZ LYS 25 12.303 0.341 11.484 185 3HZ LYS 25 3HZ LYS 25 11.015 0.239 12.501 186 H LEU 26 H LEU 26 5.698 -1.331 7.845 187 HA LEU 26 HA LEU 26 4.564 -0.902 10.354 188 1HB LEU 26 2HB LEU 26 3.486 -0.970 8.031 189 2HB LEU 26 3HB LEU 26 3.281 -2.685 8.219 190 HG LEU 26 HG LEU 26 1.367 -0.976 8.768 191 1HD1 LEU 26 1HD1 LEU 26 0.313 -2.583 10.246 192 2HD1 LEU 26 2HD1 LEU 26 1.155 -3.406 8.919 193 3HD1 LEU 26 3HD1 LEU 26 1.873 -3.379 10.546 194 1HD2 LEU 26 1HD2 LEU 26 2.654 0.258 10.580 195 2HD2 LEU 26 2HD2 LEU 26 1.077 -0.370 11.066 196 3HD2 LEU 26 3HD2 LEU 26 2.547 -1.212 11.566 197 H GLY 27 H GLY 27 5.395 -3.984 8.766 198 1HA GLY 27 2HA GLY 27 6.437 -5.381 10.679 199 2HA GLY 27 3HA GLY 27 4.774 -5.385 11.295 200 H GLY 28 H GLY 28 3.148 -6.674 10.335 201 1HA GLY 28 2HA GLY 28 4.309 -9.029 8.873 202 2HA GLY 28 3HA GLY 28 3.106 -9.068 10.168 203 H VAL 29 H VAL 29 3.636 -7.493 6.996 204 HA VAL 29 HA VAL 29 0.735 -7.812 6.409 205 HB VAL 29 HB VAL 29 1.638 -5.505 7.237 206 1HG1 VAL 29 1HG1 VAL 29 2.619 -4.040 5.680 207 2HG1 VAL 29 2HG1 VAL 29 3.651 -5.481 5.658 208 3HG1 VAL 29 3HG1 VAL 29 2.447 -5.206 4.361 209 1HG2 VAL 29 1HG2 VAL 29 -0.554 -5.627 6.413 210 2HG2 VAL 29 2HG2 VAL 29 0.207 -4.370 5.431 211 3HG2 VAL 29 3HG2 VAL 29 0.003 -6.011 4.769 212 H LYS 30 H LYS 30 0.243 -8.756 4.404 213 HA LYS 30 HA LYS 30 2.562 -9.135 2.597 214 1HB LYS 30 2HB LYS 30 0.938 -11.030 3.193 215 2HB LYS 30 3HB LYS 30 -0.158 -10.232 2.058 216 1HG LYS 30 2HG LYS 30 2.552 -11.500 1.568 217 2HG LYS 30 3HG LYS 30 1.005 -11.837 0.773 218 1HD LYS 30 2HD LYS 30 1.189 -9.493 -0.309 219 2HD LYS 30 3HD LYS 30 2.818 -9.382 0.385 220 1HE LYS 30 2HE LYS 30 3.129 -9.977 -1.781 221 2HE LYS 30 3HE LYS 30 3.462 -11.461 -0.872 222 1HZ LYS 30 1HZ LYS 30 1.576 -12.423 -1.881 223 2HZ LYS 30 2HZ LYS 30 0.766 -10.965 -1.910 224 3HZ LYS 30 3HZ LYS 30 1.853 -11.194 -3.003 225 H TYR 31 H TYR 31 2.847 -7.269 1.666 226 HA TYR 31 HA TYR 31 0.692 -5.718 0.330 227 1HB TYR 31 2HB TYR 31 2.595 -4.248 -0.330 228 2HB TYR 31 3HB TYR 31 2.305 -4.367 1.394 229 HD1 TYR 31 HD1 TYR 31 4.639 -5.448 -1.328 230 HD2 TYR 31 HD2 TYR 31 3.950 -5.369 2.910 231 HE1 TYR 31 HE1 TYR 31 7.066 -5.627 -0.923 232 HE2 TYR 31 HE2 TYR 31 6.369 -5.587 3.320 233 HH TYR 31 HH TYR 31 8.666 -5.001 0.762 234 H ASP 32 H ASP 32 0.106 -6.170 -1.767 235 HA ASP 32 HA ASP 32 2.190 -7.271 -3.604 236 1HB ASP 32 2HB ASP 32 -0.807 -7.567 -3.526 237 2HB ASP 32 3HB ASP 32 0.094 -7.792 -5.012 238 H ILE 33 H ILE 33 2.742 -5.873 -5.183 239 HA ILE 33 HA ILE 33 1.482 -3.155 -5.184 240 HB ILE 33 HB ILE 33 4.430 -3.919 -5.074 241 1HG1 ILE 33 2HG1 ILE 33 2.790 -2.524 -2.912 242 2HG1 ILE 33 3HG1 ILE 33 3.162 -4.244 -2.888 243 1HG2 ILE 33 1HG2 ILE 33 4.815 -1.484 -4.866 244 2HG2 ILE 33 2HG2 ILE 33 3.983 -1.838 -6.372 245 3HG2 ILE 33 3HG2 ILE 33 3.080 -1.183 -4.991 246 1HD1 ILE 33 1HD1 ILE 33 5.547 -3.807 -2.827 247 2HD1 ILE 33 2HD1 ILE 33 5.250 -2.049 -2.806 248 3HD1 ILE 33 3HD1 ILE 33 4.680 -3.053 -1.474 249 H ASP 34 H ASP 34 0.560 -3.093 -7.214 250 HA ASP 34 HA ASP 34 1.942 -4.418 -9.468 251 1HB ASP 34 2HB ASP 34 -0.426 -4.928 -9.163 252 2HB ASP 34 3HB ASP 34 -0.827 -3.206 -9.325 253 H LEU 35 H LEU 35 3.207 -3.282 -10.689 254 HA LEU 35 HA LEU 35 3.456 -0.410 -10.546 255 1HB LEU 35 2HB LEU 35 4.843 -2.626 -12.061 256 2HB LEU 35 3HB LEU 35 5.127 -0.946 -12.498 257 HG LEU 35 HG LEU 35 6.811 -1.986 -10.983 258 1HD1 LEU 35 1HD1 LEU 35 7.136 -0.011 -9.599 259 2HD1 LEU 35 2HD1 LEU 35 6.620 0.449 -11.229 260 3HD1 LEU 35 3HD1 LEU 35 5.467 0.512 -9.883 261 1HD2 LEU 35 1HD2 LEU 35 5.261 -3.244 -9.496 262 2HD2 LEU 35 2HD2 LEU 35 6.402 -2.215 -8.614 263 3HD2 LEU 35 3HD2 LEU 35 4.716 -1.701 -8.793 264 HA PRO 36 HA PRO 36 2.192 -0.428 -15.139 265 1HB PRO 36 2HB PRO 36 0.380 -2.358 -16.044 266 2HB PRO 36 3HB PRO 36 2.148 -2.362 -16.295 267 1HG PRO 36 2HG PRO 36 0.568 -3.792 -14.158 268 2HG PRO 36 3HG PRO 36 1.910 -4.430 -15.146 269 1HD PRO 36 2HD PRO 36 2.319 -3.613 -12.647 270 2HD PRO 36 3HD PRO 36 3.516 -3.188 -13.903 271 H ASN 37 H ASN 37 -0.290 -1.791 -12.889 272 HA ASN 37 HA ASN 37 -2.315 0.110 -13.871 273 1HB ASN 37 2HB ASN 37 -2.457 -1.873 -11.570 274 2HB ASN 37 3HB ASN 37 -3.780 -0.937 -12.252 275 1HD2 ASN 37 1HD2 ASN 37 -1.467 -3.536 -12.945 276 2HD2 ASN 37 2HD2 ASN 37 -2.424 -4.284 -14.231 277 H LYS 38 H LYS 38 0.233 0.163 -11.479 278 HA LYS 38 HA LYS 38 0.691 1.392 -9.727 279 1HB LYS 38 2HB LYS 38 -1.152 3.545 -10.860 280 2HB LYS 38 3HB LYS 38 0.096 3.680 -9.618 281 1HG LYS 38 2HG LYS 38 1.311 4.447 -11.404 282 2HG LYS 38 3HG LYS 38 1.695 2.718 -11.473 283 1HD LYS 38 2HD LYS 38 -0.239 2.510 -13.142 284 2HD LYS 38 3HD LYS 38 -0.337 4.272 -13.147 285 1HE LYS 38 2HE LYS 38 1.927 4.431 -14.065 286 2HE LYS 38 3HE LYS 38 2.221 2.709 -13.763 287 1HZ LYS 38 1HZ LYS 38 0.541 2.152 -15.333 288 2HZ LYS 38 2HZ LYS 38 0.255 3.735 -15.689 289 3HZ LYS 38 3HZ LYS 38 1.717 3.057 -16.050 290 H LYS 39 H LYS 39 -0.757 -0.553 -9.065 291 HA LYS 39 HA LYS 39 -2.784 0.522 -7.161 292 1HB LYS 39 2HB LYS 39 -3.024 -1.931 -8.952 293 2HB LYS 39 3HB LYS 39 -3.774 -1.867 -7.359 294 1HG LYS 39 2HG LYS 39 -4.916 0.316 -8.079 295 2HG LYS 39 3HG LYS 39 -4.327 -0.031 -9.707 296 1HD LYS 39 2HD LYS 39 -6.569 -0.856 -9.588 297 2HD LYS 39 3HD LYS 39 -5.516 -2.281 -9.559 298 1HE LYS 39 2HE LYS 39 -5.811 -2.413 -7.047 299 2HE LYS 39 3HE LYS 39 -6.815 -0.962 -7.103 300 1HZ LYS 39 1HZ LYS 39 -8.061 -3.004 -6.969 301 2HZ LYS 39 2HZ LYS 39 -8.425 -2.238 -8.372 302 3HZ LYS 39 3HZ LYS 39 -7.439 -3.566 -8.345 303 H VAL 40 H VAL 40 -2.895 -0.615 -5.151 304 HA VAL 40 HA VAL 40 -0.809 -2.622 -4.631 305 HB VAL 40 HB VAL 40 -1.585 0.002 -3.287 306 1HG1 VAL 40 1HG1 VAL 40 -0.464 -2.424 -1.893 307 2HG1 VAL 40 2HG1 VAL 40 -0.445 -0.758 -1.239 308 3HG1 VAL 40 3HG1 VAL 40 -1.999 -1.544 -1.605 309 1HG2 VAL 40 1HG2 VAL 40 0.814 0.305 -3.073 310 2HG2 VAL 40 2HG2 VAL 40 1.102 -1.339 -3.684 311 3HG2 VAL 40 3HG2 VAL 40 0.426 -0.103 -4.757 312 H CYS 41 H CYS 41 -1.634 -4.314 -3.516 313 HA CYS 41 HA CYS 41 -4.277 -4.001 -2.265 314 1HB CYS 41 2HB CYS 41 -5.084 -6.114 -2.971 315 2HB CYS 41 3HB CYS 41 -4.796 -5.124 -4.407 316 HG CYS 41 HG CYS 41 -2.755 -7.372 -3.105 317 H ILE 42 H ILE 42 -4.161 -4.637 -0.192 318 HA ILE 42 HA ILE 42 -1.710 -6.161 0.601 319 HB ILE 42 HB ILE 42 -3.009 -3.961 2.184 320 1HG1 ILE 42 2HG1 ILE 42 -0.851 -3.834 0.058 321 2HG1 ILE 42 3HG1 ILE 42 -2.284 -2.804 0.277 322 1HG2 ILE 42 1HG2 ILE 42 -0.288 -5.304 2.380 323 2HG2 ILE 42 2HG2 ILE 42 -0.911 -4.046 3.453 324 3HG2 ILE 42 3HG2 ILE 42 -1.696 -5.620 3.420 325 1HD1 ILE 42 1HD1 ILE 42 0.279 -2.849 1.874 326 2HD1 ILE 42 2HD1 ILE 42 -0.369 -1.500 0.931 327 3HD1 ILE 42 3HD1 ILE 42 -1.174 -1.990 2.439 328 H GLU 43 H GLU 43 -2.061 -7.904 1.714 329 HA GLU 43 HA GLU 43 -4.707 -8.401 3.001 330 1HB GLU 43 2HB GLU 43 -4.019 -9.909 1.105 331 2HB GLU 43 3HB GLU 43 -2.714 -10.513 2.139 332 1HG GLU 43 2HG GLU 43 -5.683 -10.546 2.916 333 2HG GLU 43 3HG GLU 43 -4.854 -11.885 2.119 334 H SER 44 H SER 44 -4.640 -8.463 5.247 335 HA SER 44 HA SER 44 -2.607 -9.778 6.600 336 1HB SER 44 2HB SER 44 -1.417 -7.619 6.336 337 2HB SER 44 3HB SER 44 -2.733 -6.794 7.184 338 HG SER 44 HG SER 44 -0.683 -8.432 8.195 339 H GLU 45 H GLU 45 -3.043 -9.335 9.029 340 HA GLU 45 HA GLU 45 -5.937 -8.829 9.586 341 1HB GLU 45 2HB GLU 45 -3.916 -10.379 11.257 342 2HB GLU 45 3HB GLU 45 -5.546 -9.909 11.776 343 1HG GLU 45 2HG GLU 45 -6.520 -11.092 9.853 344 2HG GLU 45 3HG GLU 45 -4.896 -11.638 9.342 345 H HIS 46 H HIS 46 -2.943 -7.346 9.354 346 HA HIS 46 HA HIS 46 -3.266 -5.434 11.544 347 1HB HIS 46 2HB HIS 46 -1.886 -5.280 8.842 348 2HB HIS 46 3HB HIS 46 -1.934 -3.945 9.993 349 HD1 HIS 46 1HD HIS 46 -0.916 -4.865 12.612 350 HD2 HIS 46 2HD HIS 46 0.438 -6.351 8.930 351 HE1 HIS 46 1HE HIS 46 1.468 -5.694 12.994 352 H SER 47 H SER 47 -4.818 -3.857 11.625 353 HA SER 47 HA SER 47 -7.015 -4.062 9.888 354 1HB SER 47 2HB SER 47 -7.076 -3.230 12.273 355 2HB SER 47 3HB SER 47 -6.390 -1.697 11.699 356 HG SER 47 HG SER 47 -8.900 -2.861 11.109 357 H MET 48 H MET 48 -7.820 -2.813 8.242 358 HA MET 48 HA MET 48 -6.356 -1.603 6.309 359 1HB MET 48 2HB MET 48 -8.802 -2.311 6.368 360 2HB MET 48 3HB MET 48 -9.167 -0.820 7.240 361 1HG MET 48 2HG MET 48 -8.330 0.502 5.342 362 2HG MET 48 3HG MET 48 -7.794 -0.985 4.547 363 1HE MET 48 1HE MET 48 -10.899 1.142 5.671 364 2HE MET 48 2HE MET 48 -12.247 0.170 5.035 365 3HE MET 48 3HE MET 48 -11.294 -0.436 6.403 366 H ASP 49 H ASP 49 -7.950 -0.047 9.079 367 HA ASP 49 HA ASP 49 -7.415 2.675 8.811 368 1HB ASP 49 2HB ASP 49 -8.669 2.100 10.708 369 2HB ASP 49 3HB ASP 49 -7.651 0.713 11.106 370 H THR 50 H THR 50 -5.503 0.381 10.564 371 HA THR 50 HA THR 50 -3.397 2.043 11.171 372 HB THR 50 HB THR 50 -3.276 -0.990 10.955 373 HG1 THR 50 1HG THR 50 -4.911 0.670 12.511 374 1HG2 THR 50 1HG2 THR 50 -1.202 0.161 11.739 375 2HG2 THR 50 2HG2 THR 50 -2.145 0.960 13.018 376 3HG2 THR 50 3HG2 THR 50 -1.956 -0.806 13.024 377 H LEU 51 H LEU 51 -3.644 -0.419 8.553 378 HA LEU 51 HA LEU 51 -1.065 0.023 7.403 379 1HB LEU 51 2HB LEU 51 -3.671 -0.600 5.935 380 2HB LEU 51 3HB LEU 51 -2.026 -0.727 5.283 381 HG LEU 51 HG LEU 51 -3.212 -2.366 7.582 382 1HD1 LEU 51 1HD1 LEU 51 -2.470 -3.086 4.727 383 2HD1 LEU 51 2HD1 LEU 51 -2.955 -4.254 5.981 384 3HD1 LEU 51 3HD1 LEU 51 -4.100 -3.022 5.421 385 1HD2 LEU 51 1HD2 LEU 51 -0.883 -2.060 8.073 386 2HD2 LEU 51 2HD2 LEU 51 -1.073 -3.667 7.400 387 3HD2 LEU 51 3HD2 LEU 51 -0.420 -2.359 6.382 388 H LEU 52 H LEU 52 -4.193 1.634 6.685 389 HA LEU 52 HA LEU 52 -3.246 3.404 4.743 390 1HB LEU 52 2HB LEU 52 -5.666 2.951 5.783 391 2HB LEU 52 3HB LEU 52 -5.300 4.483 6.565 392 HG LEU 52 HG LEU 52 -6.428 4.892 4.552 393 1HD1 LEU 52 1HD1 LEU 52 -3.542 5.510 3.840 394 2HD1 LEU 52 2HD1 LEU 52 -4.998 6.349 3.291 395 3HD1 LEU 52 3HD1 LEU 52 -4.527 6.434 4.999 396 1HD2 LEU 52 1HD2 LEU 52 -6.075 2.749 3.409 397 2HD2 LEU 52 2HD2 LEU 52 -5.861 4.139 2.336 398 3HD2 LEU 52 3HD2 LEU 52 -4.446 3.262 2.926 399 H ALA 53 H ALA 53 -3.611 4.050 8.259 400 HA ALA 53 HA ALA 53 -2.494 6.626 8.253 401 1HB ALA 53 1HB ALA 53 -3.888 5.667 10.074 402 2HB ALA 53 2HB ALA 53 -2.567 4.562 10.503 403 3HB ALA 53 3HB ALA 53 -2.362 6.314 10.715 404 H THR 54 H THR 54 -0.862 3.491 8.615 405 HA THR 54 HA THR 54 1.746 4.599 9.107 406 HB THR 54 HB THR 54 0.833 1.930 7.971 407 HG1 THR 54 1HG THR 54 1.767 2.805 10.510 408 1HG2 THR 54 1HG2 THR 54 3.176 1.212 8.562 409 2HG2 THR 54 2HG2 THR 54 3.083 2.289 7.172 410 3HG2 THR 54 3HG2 THR 54 3.615 2.919 8.752 411 H LEU 55 H LEU 55 0.239 3.319 6.042 412 HA LEU 55 HA LEU 55 2.598 3.844 4.568 413 1HB LEU 55 2HB LEU 55 1.493 3.063 2.729 414 2HB LEU 55 3HB LEU 55 1.089 2.076 4.108 415 HG LEU 55 HG LEU 55 -1.091 3.501 4.195 416 1HD1 LEU 55 1HD1 LEU 55 -0.046 3.832 1.393 417 2HD1 LEU 55 2HD1 LEU 55 -1.741 4.185 1.875 418 3HD1 LEU 55 3HD1 LEU 55 -0.395 5.128 2.535 419 1HD2 LEU 55 1HD2 LEU 55 -0.547 1.508 1.942 420 2HD2 LEU 55 2HD2 LEU 55 -0.933 1.062 3.623 421 3HD2 LEU 55 3HD2 LEU 55 -2.139 1.909 2.627 422 H LYS 56 H LYS 56 -0.302 5.680 5.035 423 HA LYS 56 HA LYS 56 -0.425 7.743 3.423 424 1HB LYS 56 2HB LYS 56 -1.428 7.400 5.866 425 2HB LYS 56 3HB LYS 56 -0.131 8.476 6.360 426 1HG LYS 56 2HG LYS 56 -1.048 10.116 4.618 427 2HG LYS 56 3HG LYS 56 -2.362 8.937 4.355 428 1HD LYS 56 2HD LYS 56 -2.936 9.055 6.778 429 2HD LYS 56 3HD LYS 56 -1.688 10.302 6.998 430 1HE LYS 56 2HE LYS 56 -2.883 11.792 5.401 431 2HE LYS 56 3HE LYS 56 -4.091 10.531 5.104 432 1HZ LYS 56 1HZ LYS 56 -4.888 12.157 6.647 433 2HZ LYS 56 2HZ LYS 56 -4.764 10.702 7.399 434 3HZ LYS 56 3HZ LYS 56 -3.646 11.879 7.687 435 H LYS 57 H LYS 57 2.217 7.372 5.712 436 HA LYS 57 HA LYS 57 3.314 9.977 5.653 437 1HB LYS 57 2HB LYS 57 4.606 7.300 6.262 438 2HB LYS 57 3HB LYS 57 5.274 8.896 6.682 439 1HG LYS 57 2HG LYS 57 3.139 9.342 7.977 440 2HG LYS 57 3HG LYS 57 2.657 7.667 7.640 441 1HD LYS 57 2HD LYS 57 5.051 7.108 8.669 442 2HD LYS 57 3HD LYS 57 4.848 8.679 9.440 443 1HE LYS 57 2HE LYS 57 3.306 6.096 9.785 444 2HE LYS 57 3HE LYS 57 3.982 7.160 11.018 445 1HZ LYS 57 1HZ LYS 57 2.172 8.749 10.321 446 2HZ LYS 57 2HZ LYS 57 1.464 7.486 9.491 447 3HZ LYS 57 3HZ LYS 57 1.684 7.393 11.105 448 H THR 58 H THR 58 3.455 7.511 3.147 449 HA THR 58 HA THR 58 5.852 8.331 1.837 450 HB THR 58 HB THR 58 4.574 7.591 -0.242 451 HG1 THR 58 1HG THR 58 2.457 8.093 0.686 452 1HG2 THR 58 1HG2 THR 58 4.590 5.749 2.170 453 2HG2 THR 58 2HG2 THR 58 4.482 5.229 0.472 454 3HG2 THR 58 3HG2 THR 58 5.951 6.045 1.063 455 H GLY 59 H GLY 59 2.717 9.935 2.199 456 1HA GLY 59 2HA GLY 59 1.988 11.962 1.482 457 2HA GLY 59 3HA GLY 59 3.692 12.392 1.196 458 H LYS 60 H LYS 60 1.584 9.901 -0.277 459 HA LYS 60 HA LYS 60 1.827 11.141 -2.966 460 1HB LYS 60 2HB LYS 60 2.206 8.247 -2.060 461 2HB LYS 60 3HB LYS 60 1.967 8.676 -3.742 462 1HG LYS 60 2HG LYS 60 4.273 9.620 -1.957 463 2HG LYS 60 3HG LYS 60 4.325 8.341 -3.153 464 1HD LYS 60 2HD LYS 60 4.074 11.339 -3.584 465 2HD LYS 60 3HD LYS 60 5.326 10.238 -4.172 466 1HE LYS 60 2HE LYS 60 3.526 9.103 -5.599 467 2HE LYS 60 3HE LYS 60 2.421 10.407 -5.131 468 1HZ LYS 60 1HZ LYS 60 4.202 11.920 -6.118 469 2HZ LYS 60 2HZ LYS 60 4.700 10.526 -6.911 470 3HZ LYS 60 3HZ LYS 60 3.205 11.037 -7.092 471 H THR 61 H THR 61 0.121 10.317 -4.449 472 HA THR 61 HA THR 61 -2.438 10.506 -3.353 473 HB THR 61 HB THR 61 -1.704 9.445 -6.083 474 HG1 THR 61 1HG THR 61 -1.344 12.144 -5.312 475 1HG2 THR 61 1HG2 THR 61 -3.628 11.645 -5.177 476 2HG2 THR 61 2HG2 THR 61 -3.398 11.086 -6.849 477 3HG2 THR 61 3HG2 THR 61 -4.096 9.994 -5.638 478 H VAL 62 H VAL 62 -1.461 8.319 -1.995 479 HA VAL 62 HA VAL 62 -2.417 5.841 -3.272 480 HB VAL 62 HB VAL 62 -0.452 5.562 -2.114 481 1HG1 VAL 62 1HG1 VAL 62 -0.072 5.920 0.240 482 2HG1 VAL 62 2HG1 VAL 62 -0.453 7.446 -0.529 483 3HG1 VAL 62 3HG1 VAL 62 -1.686 6.628 0.455 484 1HG2 VAL 62 1HG2 VAL 62 -2.238 3.806 -1.981 485 2HG2 VAL 62 2HG2 VAL 62 -1.020 3.715 -0.705 486 3HG2 VAL 62 3HG2 VAL 62 -2.631 4.381 -0.354 487 H SER 63 H SER 63 -4.540 6.184 -3.638 488 HA SER 63 HA SER 63 -6.311 7.123 -1.431 489 1HB SER 63 2HB SER 63 -6.558 8.077 -3.719 490 2HB SER 63 3HB SER 63 -7.014 6.464 -4.313 491 HG SER 63 HG SER 63 -8.841 7.768 -3.707 492 H TYR 64 H TYR 64 -8.470 5.874 -1.386 493 HA TYR 64 HA TYR 64 -7.814 3.001 -0.891 494 1HB TYR 64 2HB TYR 64 -8.185 4.048 1.199 495 2HB TYR 64 3HB TYR 64 -9.542 4.982 0.573 496 HD1 TYR 64 HD1 TYR 64 -11.520 4.387 1.648 497 HD2 TYR 64 HD2 TYR 64 -8.763 1.270 0.501 498 HE1 TYR 64 HE1 TYR 64 -13.163 2.677 2.326 499 HE2 TYR 64 HE2 TYR 64 -10.417 -0.430 1.175 500 HH TYR 64 HH TYR 64 -13.632 0.424 2.476 501 H LEU 65 H LEU 65 -8.824 1.554 -2.226 502 HA LEU 65 HA LEU 65 -11.645 1.958 -2.843 503 1HB LEU 65 2HB LEU 65 -11.141 1.529 -5.316 504 2HB LEU 65 3HB LEU 65 -11.110 3.148 -4.648 505 HG LEU 65 HG LEU 65 -9.387 2.760 -6.254 506 1HD1 LEU 65 1HD1 LEU 65 -9.134 4.381 -4.324 507 2HD1 LEU 65 2HD1 LEU 65 -7.861 3.260 -3.776 508 3HD1 LEU 65 3HD1 LEU 65 -7.753 4.029 -5.357 509 1HD2 LEU 65 1HD2 LEU 65 -8.081 0.770 -4.425 510 2HD2 LEU 65 2HD2 LEU 65 -8.897 0.415 -5.965 511 3HD2 LEU 65 3HD2 LEU 65 -7.434 1.385 -5.951 512 H GLY 66 H GLY 66 -11.395 -0.007 -1.313 513 1HA GLY 66 2HA GLY 66 -12.925 -1.828 -2.210 514 2HA GLY 66 3HA GLY 66 -11.506 -2.419 -3.087 515 H LEU 67 H LEU 67 -13.024 -3.819 -1.009 516 HA LEU 67 HA LEU 67 -10.715 -4.666 0.467 517 1HB LEU 67 2HB LEU 67 -11.568 -4.595 2.645 518 2HB LEU 67 3HB LEU 67 -11.682 -2.962 1.997 519 HG LEU 67 HG LEU 67 -13.977 -4.946 2.379 520 1HD1 LEU 67 1HD1 LEU 67 -14.687 -3.386 4.132 521 2HD1 LEU 67 2HD1 LEU 67 -13.053 -3.990 4.454 522 3HD1 LEU 67 3HD1 LEU 67 -13.280 -2.351 3.808 523 1HD2 LEU 67 1HD2 LEU 67 -15.448 -2.950 1.895 524 2HD2 LEU 67 2HD2 LEU 67 -14.014 -2.089 1.304 525 3HD2 LEU 67 3HD2 LEU 67 -14.596 -3.545 0.476 526 H GLU 68 H GLU 68 -10.690 -6.866 0.361 527 HA GLU 68 HA GLU 68 -13.143 -8.450 0.191 528 1HB GLU 68 2HB GLU 68 -12.774 -7.495 -2.088 529 2HB GLU 68 3HB GLU 68 -11.171 -8.190 -2.123 530 1HG GLU 68 2HG GLU 68 -12.343 -10.497 -1.751 531 2HG GLU 68 3HG GLU 68 -13.857 -9.640 -2.089 Start of MODEL 22 1 1H MET 1 H1 MET 1 -7.792 -5.425 8.221 2 2H MET 1 H2 MET 1 -6.599 -6.161 7.430 3 3H MET 1 H3 MET 1 -8.111 -6.078 6.753 4 HA MET 1 HA MET 1 -7.022 -7.584 9.006 5 1HB MET 1 2HB MET 1 -8.906 -6.539 9.987 6 2HB MET 1 3HB MET 1 -10.004 -7.153 8.761 7 1HG MET 1 2HG MET 1 -9.427 -9.503 9.493 8 2HG MET 1 3HG MET 1 -8.266 -8.829 10.639 9 1HE MET 1 1HE MET 1 -12.029 -7.698 9.853 10 2HE MET 1 2HE MET 1 -12.003 -9.481 9.798 11 3HE MET 1 3HE MET 1 -12.843 -8.641 11.119 12 HA PRO 2 HA PRO 2 -7.929 -10.495 5.502 13 1HB PRO 2 2HB PRO 2 -9.938 -10.450 3.816 14 2HB PRO 2 3HB PRO 2 -10.257 -10.807 5.520 15 1HG PRO 2 2HG PRO 2 -10.645 -8.080 4.219 16 2HG PRO 2 3HG PRO 2 -11.785 -8.995 5.228 17 1HD PRO 2 2HD PRO 2 -10.043 -7.059 6.204 18 2HD PRO 2 3HD PRO 2 -10.654 -8.445 7.160 19 H LYS 3 H LYS 3 -9.289 -8.835 2.834 20 HA LYS 3 HA LYS 3 -6.634 -7.801 2.102 21 1HB LYS 3 2HB LYS 3 -8.191 -9.618 0.904 22 2HB LYS 3 3HB LYS 3 -8.915 -8.152 0.225 23 1HG LYS 3 2HG LYS 3 -6.674 -7.550 -0.748 24 2HG LYS 3 3HG LYS 3 -6.019 -9.065 -0.064 25 1HD LYS 3 2HD LYS 3 -7.920 -10.297 -1.205 26 2HD LYS 3 3HD LYS 3 -8.338 -8.774 -2.025 27 1HE LYS 3 2HE LYS 3 -6.177 -8.854 -3.219 28 2HE LYS 3 3HE LYS 3 -5.754 -10.347 -2.344 29 1HZ LYS 3 1HZ LYS 3 -6.757 -10.907 -4.477 30 2HZ LYS 3 2HZ LYS 3 -7.824 -11.323 -3.266 31 3HZ LYS 3 3HZ LYS 3 -8.127 -10.029 -4.098 32 H HIS 4 H HIS 4 -6.487 -5.736 1.066 33 HA HIS 4 HA HIS 4 -8.854 -3.951 1.102 34 1HB HIS 4 2HB HIS 4 -6.219 -3.377 2.540 35 2HB HIS 4 3HB HIS 4 -7.449 -2.180 2.226 36 HD1 HIS 4 1HD HIS 4 -10.026 -2.989 3.334 37 HD2 HIS 4 2HD HIS 4 -6.488 -4.819 4.705 38 HE1 HIS 4 1HE HIS 4 -10.627 -4.248 5.464 39 H GLU 5 H GLU 5 -8.835 -2.498 -0.605 40 HA GLU 5 HA GLU 5 -6.667 -2.869 -2.614 41 1HB GLU 5 2HB GLU 5 -9.614 -2.189 -2.801 42 2HB GLU 5 3HB GLU 5 -8.564 -2.329 -4.192 43 1HG GLU 5 2HG GLU 5 -8.156 -4.758 -3.495 44 2HG GLU 5 3HG GLU 5 -9.314 -4.537 -2.181 45 H PHE 6 H PHE 6 -5.709 -1.083 -3.602 46 HA PHE 6 HA PHE 6 -6.713 1.647 -2.993 47 1HB PHE 6 2HB PHE 6 -3.854 0.632 -2.586 48 2HB PHE 6 3HB PHE 6 -4.433 2.226 -2.191 49 HD1 PHE 6 1HD PHE 6 -5.270 2.659 0.054 50 HD2 PHE 6 2HD PHE 6 -4.569 -1.391 -1.252 51 HE1 PHE 6 1HE PHE 6 -5.542 1.827 2.383 52 HE2 PHE 6 2HE PHE 6 -4.892 -2.193 1.046 53 HZ PHE 6 HZ PHE 6 -5.402 -0.584 2.879 54 H SER 7 H SER 7 -6.492 3.030 -4.555 55 HA SER 7 HA SER 7 -4.763 2.399 -6.900 56 1HB SER 7 2HB SER 7 -7.157 4.183 -6.457 57 2HB SER 7 3HB SER 7 -5.883 4.701 -7.509 58 HG SER 7 HG SER 7 -7.360 2.271 -7.634 59 H VAL 8 H VAL 8 -3.073 3.778 -7.373 60 HA VAL 8 HA VAL 8 -2.110 5.561 -5.208 61 HB VAL 8 HB VAL 8 -0.742 3.142 -6.529 62 1HG1 VAL 8 1HG1 VAL 8 0.878 4.686 -6.095 63 2HG1 VAL 8 2HG1 VAL 8 0.254 5.086 -4.460 64 3HG1 VAL 8 3HG1 VAL 8 0.985 3.492 -4.803 65 1HG2 VAL 8 1HG2 VAL 8 -2.370 2.306 -4.895 66 2HG2 VAL 8 2HG2 VAL 8 -0.781 2.245 -4.141 67 3HG2 VAL 8 3HG2 VAL 8 -1.887 3.551 -3.722 68 H ASP 9 H ASP 9 -0.347 6.979 -5.956 69 HA ASP 9 HA ASP 9 0.285 6.801 -8.848 70 1HB ASP 9 2HB ASP 9 -1.008 8.866 -8.516 71 2HB ASP 9 3HB ASP 9 0.151 9.406 -7.288 72 H MET 10 H MET 10 1.872 5.341 -8.139 73 HA MET 10 HA MET 10 4.345 6.651 -7.114 74 1HB MET 10 2HB MET 10 3.245 3.839 -6.688 75 2HB MET 10 3HB MET 10 4.902 4.298 -6.294 76 1HG MET 10 2HG MET 10 2.474 5.767 -5.198 77 2HG MET 10 3HG MET 10 3.216 4.425 -4.385 78 1HE MET 10 1HE MET 10 6.155 4.778 -4.189 79 2HE MET 10 2HE MET 10 6.486 6.103 -3.049 80 3HE MET 10 3HE MET 10 5.237 4.899 -2.667 81 H THR 11 H THR 11 5.162 7.217 -9.005 82 HA THR 11 HA THR 11 5.314 5.279 -11.269 83 HB THR 11 HB THR 11 4.529 8.231 -11.373 84 HG1 THR 11 1HG THR 11 2.647 7.533 -10.771 85 1HG2 THR 11 1HG2 THR 11 5.369 7.467 -13.562 86 2HG2 THR 11 2HG2 THR 11 4.387 5.995 -13.461 87 3HG2 THR 11 3HG2 THR 11 3.610 7.582 -13.611 88 H CYS 12 H CYS 12 7.428 5.531 -9.560 89 HA CYS 12 HA CYS 12 9.464 6.523 -11.424 90 1HB CYS 12 2HB CYS 12 8.983 8.561 -10.142 91 2HB CYS 12 3HB CYS 12 9.299 7.706 -8.615 92 HG CYS 12 HG CYS 12 11.743 7.111 -9.079 93 H GLY 13 H GLY 13 9.334 4.077 -11.303 94 1HA GLY 13 2HA GLY 13 10.288 2.069 -10.785 95 2HA GLY 13 3HA GLY 13 11.738 3.067 -10.691 96 H GLY 14 H GLY 14 12.467 3.766 -8.581 97 1HA GLY 14 2HA GLY 14 12.349 1.779 -6.529 98 2HA GLY 14 3HA GLY 14 13.069 3.399 -6.396 99 H CYS 15 H CYS 15 10.187 4.360 -7.296 100 HA CYS 15 HA CYS 15 8.771 4.839 -4.966 101 1HB CYS 15 2HB CYS 15 6.902 5.204 -6.332 102 2HB CYS 15 3HB CYS 15 8.283 5.553 -7.355 103 HG CYS 15 HG CYS 15 6.292 2.920 -7.237 104 H ALA 16 H ALA 16 8.922 1.768 -6.857 105 HA ALA 16 HA ALA 16 7.017 0.352 -5.275 106 1HB ALA 16 1HB ALA 16 8.039 -1.668 -6.270 107 2HB ALA 16 2HB ALA 16 7.758 -0.407 -7.487 108 3HB ALA 16 3HB ALA 16 9.401 -0.693 -6.868 109 H GLU 17 H GLU 17 10.560 0.797 -4.888 110 HA GLU 17 HA GLU 17 10.844 -0.902 -2.588 111 1HB GLU 17 2HB GLU 17 12.472 1.498 -3.514 112 2HB GLU 17 3HB GLU 17 12.723 0.621 -2.026 113 1HG GLU 17 2HG GLU 17 12.577 -1.462 -3.894 114 2HG GLU 17 3HG GLU 17 13.410 -0.174 -4.778 115 H ALA 18 H ALA 18 10.000 2.564 -3.027 116 HA ALA 18 HA ALA 18 9.935 3.210 -0.267 117 1HB ALA 18 1HB ALA 18 9.778 4.899 -2.079 118 2HB ALA 18 2HB ALA 18 8.110 4.373 -2.402 119 3HB ALA 18 3HB ALA 18 8.519 5.088 -0.839 120 H VAL 19 H VAL 19 7.248 2.039 -2.367 121 HA VAL 19 HA VAL 19 5.344 1.901 -0.266 122 HB VAL 19 HB VAL 19 5.422 0.205 -2.789 123 1HG1 VAL 19 1HG1 VAL 19 3.904 -0.750 -1.059 124 2HG1 VAL 19 2HG1 VAL 19 3.183 0.852 -0.807 125 3HG1 VAL 19 3HG1 VAL 19 2.975 0.009 -2.353 126 1HG2 VAL 19 1HG2 VAL 19 3.767 1.855 -3.627 127 2HG2 VAL 19 2HG2 VAL 19 3.987 2.827 -2.157 128 3HG2 VAL 19 3HG2 VAL 19 5.323 2.619 -3.309 129 H SER 20 H SER 20 7.331 -0.801 -1.672 130 HA SER 20 HA SER 20 6.365 -2.779 0.108 131 1HB SER 20 2HB SER 20 8.606 -3.913 -0.349 132 2HB SER 20 3HB SER 20 7.630 -3.525 -1.783 133 HG SER 20 HG SER 20 8.946 -1.748 -2.138 134 H ARG 21 H ARG 21 9.291 -0.777 0.441 135 HA ARG 21 HA ARG 21 10.062 -1.674 2.980 136 1HB ARG 21 2HB ARG 21 10.408 1.071 1.725 137 2HB ARG 21 3HB ARG 21 11.177 0.557 3.228 138 1HG ARG 21 2HG ARG 21 12.339 -1.286 2.091 139 2HG ARG 21 3HG ARG 21 11.579 -0.871 0.556 140 1HD ARG 21 2HD ARG 21 12.621 1.428 0.733 141 2HD ARG 21 3HD ARG 21 13.460 0.857 2.196 142 HE ARG 21 HE ARG 21 13.844 -0.694 -0.349 143 1HH1 ARG 21 2HH2 ARG 21 15.188 1.858 1.705 144 2HH1 ARG 21 1HH2 ARG 21 16.777 1.737 1.008 145 1HH2 ARG 21 2HH1 ARG 21 15.760 -0.745 -1.317 146 2HH2 ARG 21 1HH1 ARG 21 17.135 0.196 -0.812 147 H VAL 22 H VAL 22 7.851 1.305 2.411 148 HA VAL 22 HA VAL 22 7.590 1.636 5.165 149 HB VAL 22 HB VAL 22 7.205 3.311 3.359 150 1HG1 VAL 22 1HG1 VAL 22 4.995 3.571 2.404 151 2HG1 VAL 22 2HG1 VAL 22 5.609 1.975 1.969 152 3HG1 VAL 22 3HG1 VAL 22 4.412 2.141 3.272 153 1HG2 VAL 22 1HG2 VAL 22 5.456 4.473 4.589 154 2HG2 VAL 22 2HG2 VAL 22 5.011 2.960 5.412 155 3HG2 VAL 22 3HG2 VAL 22 6.627 3.683 5.683 156 H LEU 23 H LEU 23 5.477 -0.205 2.846 157 HA LEU 23 HA LEU 23 3.589 -0.997 4.788 158 1HB LEU 23 2HB LEU 23 4.502 -2.062 2.094 159 2HB LEU 23 3HB LEU 23 3.422 -3.011 3.080 160 HG LEU 23 HG LEU 23 2.224 -1.731 1.403 161 1HD1 LEU 23 1HD1 LEU 23 1.541 -1.099 4.310 162 2HD1 LEU 23 2HD1 LEU 23 0.459 -0.958 2.927 163 3HD1 LEU 23 3HD1 LEU 23 1.076 -2.558 3.405 164 1HD2 LEU 23 1HD2 LEU 23 2.819 0.640 3.173 165 2HD2 LEU 23 2HD2 LEU 23 3.569 0.363 1.579 166 3HD2 LEU 23 3HD2 LEU 23 1.821 0.630 1.704 167 H ASN 24 H ASN 24 6.695 -2.552 3.861 168 HA ASN 24 HA ASN 24 6.513 -4.796 5.599 169 1HB ASN 24 2HB ASN 24 8.261 -4.776 3.985 170 2HB ASN 24 3HB ASN 24 8.784 -3.167 4.432 171 1HD2 ASN 24 1HD2 ASN 24 9.908 -2.786 6.330 172 2HD2 ASN 24 2HD2 ASN 24 10.830 -4.083 7.113 173 H LYS 25 H LYS 25 7.764 -1.489 6.114 174 HA LYS 25 HA LYS 25 8.681 -1.824 8.747 175 1HB LYS 25 2HB LYS 25 7.790 0.549 7.079 176 2HB LYS 25 3HB LYS 25 8.042 0.789 8.787 177 1HG LYS 25 2HG LYS 25 10.100 -0.204 6.770 178 2HG LYS 25 3HG LYS 25 10.035 1.381 7.532 179 1HD LYS 25 2HD LYS 25 10.790 -1.279 8.796 180 2HD LYS 25 3HD LYS 25 11.764 0.175 8.612 181 1HE LYS 25 2HE LYS 25 10.281 1.385 10.226 182 2HE LYS 25 3HE LYS 25 9.314 -0.086 10.443 183 1HZ LYS 25 1HZ LYS 25 10.882 0.154 12.181 184 2HZ LYS 25 2HZ LYS 25 11.224 -1.192 11.310 185 3HZ LYS 25 3HZ LYS 25 12.153 0.160 11.139 186 H LEU 26 H LEU 26 5.415 -1.096 7.617 187 HA LEU 26 HA LEU 26 4.177 -0.518 10.027 188 1HB LEU 26 2HB LEU 26 3.153 -0.739 7.714 189 2HB LEU 26 3HB LEU 26 3.083 -2.469 7.937 190 HG LEU 26 HG LEU 26 1.051 -0.891 8.340 191 1HD1 LEU 26 1HD1 LEU 26 1.543 -3.282 10.134 192 2HD1 LEU 26 2HD1 LEU 26 -0.026 -2.556 9.715 193 3HD1 LEU 26 3HD1 LEU 26 0.958 -3.323 8.454 194 1HD2 LEU 26 1HD2 LEU 26 1.941 -1.115 11.238 195 2HD2 LEU 26 2HD2 LEU 26 2.193 0.356 10.292 196 3HD2 LEU 26 3HD2 LEU 26 0.559 -0.254 10.559 197 H GLY 27 H GLY 27 5.207 -3.728 8.823 198 1HA GLY 27 2HA GLY 27 5.656 -4.730 11.365 199 2HA GLY 27 3HA GLY 27 3.965 -5.152 11.013 200 H GLY 28 H GLY 28 3.527 -6.708 9.404 201 1HA GLY 28 2HA GLY 28 5.757 -8.060 7.989 202 2HA GLY 28 3HA GLY 28 4.858 -9.008 9.196 203 H VAL 29 H VAL 29 3.809 -6.419 7.009 204 HA VAL 29 HA VAL 29 1.354 -7.783 6.429 205 HB VAL 29 HB VAL 29 1.801 -5.268 6.707 206 1HG1 VAL 29 1HG1 VAL 29 2.550 -5.443 3.771 207 2HG1 VAL 29 2HG1 VAL 29 2.506 -4.013 4.830 208 3HG1 VAL 29 3HG1 VAL 29 3.755 -5.250 5.086 209 1HG2 VAL 29 1HG2 VAL 29 0.176 -4.581 4.958 210 2HG2 VAL 29 2HG2 VAL 29 0.250 -6.218 4.277 211 3HG2 VAL 29 3HG2 VAL 29 -0.380 -5.958 5.910 212 H LYS 30 H LYS 30 0.624 -8.516 4.417 213 HA LYS 30 HA LYS 30 2.616 -9.152 2.301 214 1HB LYS 30 2HB LYS 30 0.861 -10.843 3.169 215 2HB LYS 30 3HB LYS 30 -0.317 -9.809 2.356 216 1HG LYS 30 2HG LYS 30 1.891 -11.452 1.112 217 2HG LYS 30 3HG LYS 30 0.137 -11.582 0.903 218 1HD LYS 30 2HD LYS 30 0.313 -9.138 -0.120 219 2HD LYS 30 3HD LYS 30 2.052 -9.488 -0.217 220 1HE LYS 30 2HE LYS 30 1.186 -10.002 -2.253 221 2HE LYS 30 3HE LYS 30 1.364 -11.606 -1.510 222 1HZ LYS 30 1HZ LYS 30 -0.804 -10.913 -2.735 223 2HZ LYS 30 2HZ LYS 30 -1.109 -11.631 -1.223 224 3HZ LYS 30 3HZ LYS 30 -1.127 -10.012 -1.505 225 H TYR 31 H TYR 31 2.869 -7.517 0.939 226 HA TYR 31 HA TYR 31 0.650 -5.652 0.215 227 1HB TYR 31 2HB TYR 31 2.573 -4.258 -0.672 228 2HB TYR 31 3HB TYR 31 2.396 -4.384 1.065 229 HD1 TYR 31 HD1 TYR 31 4.377 -5.904 -1.778 230 HD2 TYR 31 HD2 TYR 31 4.224 -5.000 2.434 231 HE1 TYR 31 HE1 TYR 31 6.763 -6.510 -1.546 232 HE2 TYR 31 HE2 TYR 31 6.569 -5.651 2.669 233 HH TYR 31 HH TYR 31 8.471 -6.387 1.589 234 H ASP 32 H ASP 32 -0.010 -5.575 -1.910 235 HA ASP 32 HA ASP 32 1.330 -7.280 -3.975 236 1HB ASP 32 2HB ASP 32 -1.552 -6.425 -3.564 237 2HB ASP 32 3HB ASP 32 -0.955 -7.253 -5.000 238 H ILE 33 H ILE 33 2.668 -5.643 -4.845 239 HA ILE 33 HA ILE 33 1.543 -2.900 -5.162 240 HB ILE 33 HB ILE 33 4.385 -3.939 -5.133 241 1HG1 ILE 33 2HG1 ILE 33 2.992 -2.262 -3.006 242 2HG1 ILE 33 3HG1 ILE 33 2.976 -4.019 -2.938 243 1HG2 ILE 33 1HG2 ILE 33 5.004 -1.528 -4.958 244 2HG2 ILE 33 2HG2 ILE 33 4.165 -1.858 -6.472 245 3HG2 ILE 33 3HG2 ILE 33 3.296 -1.081 -5.135 246 1HD1 ILE 33 1HD1 ILE 33 4.727 -3.230 -1.556 247 2HD1 ILE 33 2HD1 ILE 33 5.403 -4.125 -2.930 248 3HD1 ILE 33 3HD1 ILE 33 5.493 -2.345 -2.893 249 H ASP 34 H ASP 34 0.562 -2.695 -7.138 250 HA ASP 34 HA ASP 34 1.572 -4.187 -9.459 251 1HB ASP 34 2HB ASP 34 -0.834 -4.032 -9.020 252 2HB ASP 34 3HB ASP 34 -0.753 -2.271 -9.174 253 H LEU 35 H LEU 35 3.099 -3.386 -10.708 254 HA LEU 35 HA LEU 35 4.115 -0.695 -10.393 255 1HB LEU 35 2HB LEU 35 4.895 -3.132 -11.981 256 2HB LEU 35 3HB LEU 35 5.525 -1.569 -12.486 257 HG LEU 35 HG LEU 35 7.031 -2.871 -11.031 258 1HD1 LEU 35 1HD1 LEU 35 7.829 -1.023 -9.730 259 2HD1 LEU 35 2HD1 LEU 35 7.198 -0.391 -11.253 260 3HD1 LEU 35 3HD1 LEU 35 6.250 -0.217 -9.760 261 1HD2 LEU 35 1HD2 LEU 35 5.090 -2.250 -8.767 262 2HD2 LEU 35 2HD2 LEU 35 5.349 -3.852 -9.493 263 3HD2 LEU 35 3HD2 LEU 35 6.670 -3.038 -8.635 264 HA PRO 36 HA PRO 36 2.659 0.097 -14.840 265 1HB PRO 36 2HB PRO 36 0.735 -1.497 -16.037 266 2HB PRO 36 3HB PRO 36 2.497 -1.712 -16.209 267 1HG PRO 36 2HG PRO 36 0.641 -3.146 -14.298 268 2HG PRO 36 3HG PRO 36 1.892 -3.856 -15.356 269 1HD PRO 36 2HD PRO 36 2.387 -3.402 -12.765 270 2HD PRO 36 3HD PRO 36 3.641 -3.026 -13.979 271 H ASN 37 H ASN 37 -0.045 -1.480 -12.989 272 HA ASN 37 HA ASN 37 -1.925 0.473 -14.077 273 1HB ASN 37 2HB ASN 37 -2.387 -1.720 -12.026 274 2HB ASN 37 3HB ASN 37 -3.616 -0.795 -12.877 275 1HD2 ASN 37 1HD2 ASN 37 -1.846 -3.697 -12.979 276 2HD2 ASN 37 2HD2 ASN 37 -2.167 -4.084 -14.670 277 H LYS 38 H LYS 38 0.104 0.457 -11.320 278 HA LYS 38 HA LYS 38 0.366 1.957 -9.630 279 1HB LYS 38 2HB LYS 38 -1.913 3.644 -10.667 280 2HB LYS 38 3HB LYS 38 -0.503 4.119 -9.749 281 1HG LYS 38 2HG LYS 38 -0.257 3.192 -12.670 282 2HG LYS 38 3HG LYS 38 -0.927 4.745 -12.251 283 1HD LYS 38 2HD LYS 38 1.136 5.450 -12.574 284 2HD LYS 38 3HD LYS 38 1.266 5.133 -10.854 285 1HE LYS 38 2HE LYS 38 2.055 3.147 -13.063 286 2HE LYS 38 3HE LYS 38 3.179 4.335 -12.393 287 1HZ LYS 38 1HZ LYS 38 1.803 2.412 -10.704 288 2HZ LYS 38 2HZ LYS 38 3.206 2.061 -11.430 289 3HZ LYS 38 3HZ LYS 38 3.148 3.319 -10.337 290 H LYS 39 H LYS 39 -0.971 -0.257 -9.063 291 HA LYS 39 HA LYS 39 -3.030 0.705 -7.150 292 1HB LYS 39 2HB LYS 39 -3.033 -1.751 -8.931 293 2HB LYS 39 3HB LYS 39 -3.638 -1.925 -7.288 294 1HG LYS 39 2HG LYS 39 -5.455 -1.498 -8.818 295 2HG LYS 39 3HG LYS 39 -5.303 -0.216 -7.595 296 1HD LYS 39 2HD LYS 39 -4.306 1.281 -9.136 297 2HD LYS 39 3HD LYS 39 -4.061 0.021 -10.361 298 1HE LYS 39 2HE LYS 39 -6.235 0.138 -11.104 299 2HE LYS 39 3HE LYS 39 -6.892 0.536 -9.508 300 1HZ LYS 39 1HZ LYS 39 -6.212 2.710 -9.686 301 2HZ LYS 39 2HZ LYS 39 -5.287 2.451 -11.049 302 3HZ LYS 39 3HZ LYS 39 -6.940 2.383 -11.125 303 H VAL 40 H VAL 40 -2.936 -0.237 -5.047 304 HA VAL 40 HA VAL 40 -0.811 -2.187 -4.549 305 HB VAL 40 HB VAL 40 -1.673 0.304 -3.072 306 1HG1 VAL 40 1HG1 VAL 40 -0.643 -0.595 -1.014 307 2HG1 VAL 40 2HG1 VAL 40 -2.167 -1.354 -1.513 308 3HG1 VAL 40 3HG1 VAL 40 -0.619 -2.209 -1.784 309 1HG2 VAL 40 1HG2 VAL 40 1.032 -1.028 -3.450 310 2HG2 VAL 40 2HG2 VAL 40 0.385 0.260 -4.485 311 3HG2 VAL 40 3HG2 VAL 40 0.718 0.589 -2.770 312 H CYS 41 H CYS 41 -1.784 -3.988 -3.672 313 HA CYS 41 HA CYS 41 -4.402 -3.616 -2.318 314 1HB CYS 41 2HB CYS 41 -3.627 -6.180 -3.779 315 2HB CYS 41 3HB CYS 41 -4.992 -5.961 -2.677 316 HG CYS 41 HG CYS 41 -6.235 -4.186 -4.048 317 H ILE 42 H ILE 42 -4.469 -4.951 -0.350 318 HA ILE 42 HA ILE 42 -1.803 -5.847 0.629 319 HB ILE 42 HB ILE 42 -3.774 -4.132 2.213 320 1HG1 ILE 42 2HG1 ILE 42 -1.073 -3.328 1.015 321 2HG1 ILE 42 3HG1 ILE 42 -2.648 -2.763 0.449 322 1HG2 ILE 42 1HG2 ILE 42 -2.370 -5.785 3.515 323 2HG2 ILE 42 2HG2 ILE 42 -0.930 -5.021 2.800 324 3HG2 ILE 42 3HG2 ILE 42 -1.981 -4.126 3.910 325 1HD1 ILE 42 1HD1 ILE 42 -1.409 -2.148 3.136 326 2HD1 ILE 42 2HD1 ILE 42 -1.756 -1.036 1.802 327 3HD1 ILE 42 3HD1 ILE 42 -3.083 -1.776 2.715 328 H GLU 43 H GLU 43 -2.022 -7.674 1.989 329 HA GLU 43 HA GLU 43 -4.793 -8.853 2.263 330 1HB GLU 43 2HB GLU 43 -3.568 -9.409 0.126 331 2HB GLU 43 3HB GLU 43 -2.276 -10.104 1.091 332 1HG GLU 43 2HG GLU 43 -3.796 -11.868 1.880 333 2HG GLU 43 3HG GLU 43 -5.155 -11.113 1.022 334 H SER 44 H SER 44 -4.631 -8.366 4.616 335 HA SER 44 HA SER 44 -2.848 -10.142 6.085 336 1HB SER 44 2HB SER 44 -2.274 -7.157 6.059 337 2HB SER 44 3HB SER 44 -1.564 -8.305 7.211 338 HG SER 44 HG SER 44 -1.192 -9.331 4.820 339 H GLU 45 H GLU 45 -3.188 -10.304 8.224 340 HA GLU 45 HA GLU 45 -5.464 -9.077 9.516 341 1HB GLU 45 2HB GLU 45 -4.541 -11.410 9.924 342 2HB GLU 45 3HB GLU 45 -3.228 -10.640 10.831 343 1HG GLU 45 2HG GLU 45 -4.940 -9.595 12.331 344 2HG GLU 45 3HG GLU 45 -6.227 -10.364 11.380 345 H HIS 46 H HIS 46 -4.436 -6.962 8.636 346 HA HIS 46 HA HIS 46 -3.572 -5.516 11.041 347 1HB HIS 46 2HB HIS 46 -2.397 -5.169 8.242 348 2HB HIS 46 3HB HIS 46 -2.308 -3.932 9.498 349 HD1 HIS 46 1HD HIS 46 -1.172 -5.232 11.961 350 HD2 HIS 46 2HD HIS 46 -0.034 -6.247 8.050 351 HE1 HIS 46 1HE HIS 46 1.223 -6.090 12.091 352 H SER 47 H SER 47 -4.938 -3.637 11.186 353 HA SER 47 HA SER 47 -7.308 -3.881 9.571 354 1HB SER 47 2HB SER 47 -7.211 -3.066 12.009 355 2HB SER 47 3HB SER 47 -6.819 -1.472 11.320 356 HG SER 47 HG SER 47 -8.870 -1.326 10.751 357 H MET 48 H MET 48 -8.196 -2.380 8.140 358 HA MET 48 HA MET 48 -6.847 -1.197 6.058 359 1HB MET 48 2HB MET 48 -9.280 -1.641 6.252 360 2HB MET 48 3HB MET 48 -9.393 -0.501 7.590 361 1HG MET 48 2HG MET 48 -8.570 1.286 5.927 362 2HG MET 48 3HG MET 48 -8.822 0.052 4.687 363 1HE MET 48 1HE MET 48 -12.137 2.096 7.219 364 2HE MET 48 2HE MET 48 -11.078 0.886 7.959 365 3HE MET 48 3HE MET 48 -10.398 2.423 7.378 366 H ASP 49 H ASP 49 -8.007 0.234 9.117 367 HA ASP 49 HA ASP 49 -7.329 2.871 8.700 368 1HB ASP 49 2HB ASP 49 -7.283 1.589 11.460 369 2HB ASP 49 3HB ASP 49 -7.883 3.177 10.984 370 H THR 50 H THR 50 -5.621 0.485 10.596 371 HA THR 50 HA THR 50 -3.359 1.880 11.345 372 HB THR 50 HB THR 50 -3.312 -1.085 10.667 373 HG1 THR 50 1HG THR 50 -4.375 -1.146 12.871 374 1HG2 THR 50 1HG2 THR 50 -2.075 -1.235 12.780 375 2HG2 THR 50 2HG2 THR 50 -1.330 0.021 11.777 376 3HG2 THR 50 3HG2 THR 50 -2.383 0.482 13.125 377 H LEU 51 H LEU 51 -3.829 -0.234 8.465 378 HA LEU 51 HA LEU 51 -1.229 0.134 7.348 379 1HB LEU 51 2HB LEU 51 -3.890 -0.359 5.946 380 2HB LEU 51 3HB LEU 51 -2.295 -0.469 5.182 381 HG LEU 51 HG LEU 51 -3.001 -2.104 7.663 382 1HD1 LEU 51 1HD1 LEU 51 -3.626 -3.973 6.131 383 2HD1 LEU 51 2HD1 LEU 51 -4.768 -2.621 6.110 384 3HD1 LEU 51 3HD1 LEU 51 -3.620 -2.817 4.778 385 1HD2 LEU 51 1HD2 LEU 51 -0.634 -2.025 7.062 386 2HD2 LEU 51 2HD2 LEU 51 -1.284 -3.636 6.746 387 3HD2 LEU 51 3HD2 LEU 51 -1.006 -2.509 5.402 388 H LEU 52 H LEU 52 -4.311 1.765 6.551 389 HA LEU 52 HA LEU 52 -3.514 3.679 4.752 390 1HB LEU 52 2HB LEU 52 -5.832 3.156 5.824 391 2HB LEU 52 3HB LEU 52 -5.435 4.502 6.879 392 HG LEU 52 HG LEU 52 -6.629 5.342 5.092 393 1HD1 LEU 52 1HD1 LEU 52 -5.262 6.937 3.942 394 2HD1 LEU 52 2HD1 LEU 52 -4.610 6.723 5.577 395 3HD1 LEU 52 3HD1 LEU 52 -3.806 5.964 4.178 396 1HD2 LEU 52 1HD2 LEU 52 -4.889 3.918 3.065 397 2HD2 LEU 52 2HD2 LEU 52 -6.502 3.407 3.623 398 3HD2 LEU 52 3HD2 LEU 52 -6.305 4.929 2.735 399 H ALA 53 H ALA 53 -3.751 4.267 8.286 400 HA ALA 53 HA ALA 53 -2.620 6.822 8.248 401 1HB ALA 53 1HB ALA 53 -2.360 6.503 10.701 402 2HB ALA 53 2HB ALA 53 -3.927 5.884 10.138 403 3HB ALA 53 3HB ALA 53 -2.604 4.754 10.501 404 H THR 54 H THR 54 -0.992 3.670 8.534 405 HA THR 54 HA THR 54 1.618 4.780 9.039 406 HB THR 54 HB THR 54 0.783 2.121 7.797 407 HG1 THR 54 1HG THR 54 0.018 2.308 9.828 408 1HG2 THR 54 1HG2 THR 54 3.079 2.625 7.193 409 2HG2 THR 54 2HG2 THR 54 3.452 3.121 8.865 410 3HG2 THR 54 3HG2 THR 54 3.073 1.430 8.490 411 H LEU 55 H LEU 55 0.192 3.424 6.010 412 HA LEU 55 HA LEU 55 2.483 4.037 4.475 413 1HB LEU 55 2HB LEU 55 1.301 3.274 2.637 414 2HB LEU 55 3HB LEU 55 1.065 2.239 4.018 415 HG LEU 55 HG LEU 55 -1.200 3.564 4.275 416 1HD1 LEU 55 1HD1 LEU 55 -0.407 3.857 1.387 417 2HD1 LEU 55 2HD1 LEU 55 -2.027 4.258 2.054 418 3HD1 LEU 55 3HD1 LEU 55 -0.585 5.181 2.536 419 1HD2 LEU 55 1HD2 LEU 55 -2.245 1.863 2.776 420 2HD2 LEU 55 2HD2 LEU 55 -0.651 1.535 2.058 421 3HD2 LEU 55 3HD2 LEU 55 -0.955 1.137 3.763 422 H LYS 56 H LYS 56 -0.430 5.834 5.056 423 HA LYS 56 HA LYS 56 -0.457 7.955 3.467 424 1HB LYS 56 2HB LYS 56 -1.646 7.545 5.808 425 2HB LYS 56 3HB LYS 56 -0.331 8.517 6.459 426 1HG LYS 56 2HG LYS 56 -1.055 10.285 4.719 427 2HG LYS 56 3HG LYS 56 -2.410 9.170 4.373 428 1HD LYS 56 2HD LYS 56 -3.099 9.306 6.789 429 2HD LYS 56 3HD LYS 56 -1.737 10.384 7.099 430 1HE LYS 56 2HE LYS 56 -3.764 11.709 6.922 431 2HE LYS 56 3HE LYS 56 -2.685 12.093 5.574 432 1HZ LYS 56 1HZ LYS 56 -5.021 10.291 5.435 433 2HZ LYS 56 2HZ LYS 56 -4.970 11.837 4.882 434 3HZ LYS 56 3HZ LYS 56 -4.040 10.686 4.172 435 H LYS 57 H LYS 57 2.105 7.376 5.850 436 HA LYS 57 HA LYS 57 3.264 9.945 5.972 437 1HB LYS 57 2HB LYS 57 4.412 7.174 6.360 438 2HB LYS 57 3HB LYS 57 5.292 8.668 6.759 439 1HG LYS 57 2HG LYS 57 3.467 9.309 8.297 440 2HG LYS 57 3HG LYS 57 2.599 7.813 7.883 441 1HD LYS 57 2HD LYS 57 4.621 6.495 8.636 442 2HD LYS 57 3HD LYS 57 5.294 7.987 9.302 443 1HE LYS 57 2HE LYS 57 2.663 6.606 10.069 444 2HE LYS 57 3HE LYS 57 4.143 6.638 11.035 445 1HZ LYS 57 1HZ LYS 57 2.564 8.227 11.821 446 2HZ LYS 57 2HZ LYS 57 3.863 9.036 11.220 447 3HZ LYS 57 3HZ LYS 57 2.460 8.957 10.355 448 H THR 58 H THR 58 3.350 7.699 3.235 449 HA THR 58 HA THR 58 5.795 8.650 2.060 450 HB THR 58 HB THR 58 4.729 7.905 -0.061 451 HG1 THR 58 1HG THR 58 2.617 6.927 0.206 452 1HG2 THR 58 1HG2 THR 58 4.381 5.970 2.262 453 2HG2 THR 58 2HG2 THR 58 4.482 5.533 0.543 454 3HG2 THR 58 3HG2 THR 58 5.876 6.273 1.359 455 H GLY 59 H GLY 59 2.560 10.020 2.387 456 1HA GLY 59 2HA GLY 59 1.633 11.980 1.726 457 2HA GLY 59 3HA GLY 59 3.277 12.623 1.499 458 H LYS 60 H LYS 60 1.162 10.136 -0.041 459 HA LYS 60 HA LYS 60 1.543 11.339 -2.721 460 1HB LYS 60 2HB LYS 60 1.918 8.397 -1.964 461 2HB LYS 60 3HB LYS 60 1.985 9.034 -3.607 462 1HG LYS 60 2HG LYS 60 3.883 9.811 -1.348 463 2HG LYS 60 3HG LYS 60 4.227 8.568 -2.509 464 1HD LYS 60 2HD LYS 60 4.359 10.033 -4.339 465 2HD LYS 60 3HD LYS 60 3.570 11.361 -3.497 466 1HE LYS 60 2HE LYS 60 6.344 10.281 -2.810 467 2HE LYS 60 3HE LYS 60 5.973 11.738 -3.742 468 1HZ LYS 60 1HZ LYS 60 6.316 12.512 -1.597 469 2HZ LYS 60 2HZ LYS 60 4.660 12.419 -1.670 470 3HZ LYS 60 3HZ LYS 60 5.499 11.287 -0.873 471 H THR 61 H THR 61 -0.049 10.450 -4.292 472 HA THR 61 HA THR 61 -2.631 10.565 -3.243 473 HB THR 61 HB THR 61 -1.855 9.655 -6.015 474 HG1 THR 61 1HG THR 61 -1.550 12.316 -5.103 475 1HG2 THR 61 1HG2 THR 61 -3.809 11.777 -5.002 476 2HG2 THR 61 2HG2 THR 61 -3.555 11.314 -6.701 477 3HG2 THR 61 3HG2 THR 61 -4.254 10.147 -5.561 478 H VAL 62 H VAL 62 -1.637 8.354 -1.975 479 HA VAL 62 HA VAL 62 -2.822 5.945 -3.228 480 HB VAL 62 HB VAL 62 -0.856 5.412 -2.169 481 1HG1 VAL 62 1HG1 VAL 62 -1.741 6.848 0.366 482 2HG1 VAL 62 2HG1 VAL 62 -0.287 5.848 0.167 483 3HG1 VAL 62 3HG1 VAL 62 -0.430 7.341 -0.731 484 1HG2 VAL 62 1HG2 VAL 62 -2.976 4.667 -0.121 485 2HG2 VAL 62 2HG2 VAL 62 -2.893 3.952 -1.737 486 3HG2 VAL 62 3HG2 VAL 62 -1.544 3.740 -0.616 487 H SER 63 H SER 63 -4.942 5.709 -3.185 488 HA SER 63 HA SER 63 -6.476 6.715 -0.805 489 1HB SER 63 2HB SER 63 -6.981 7.914 -2.985 490 2HB SER 63 3HB SER 63 -7.525 6.356 -3.635 491 HG SER 63 HG SER 63 -8.608 7.880 -1.504 492 H TYR 64 H TYR 64 -8.516 5.333 -0.548 493 HA TYR 64 HA TYR 64 -7.791 2.430 -0.768 494 1HB TYR 64 2HB TYR 64 -7.678 3.057 1.522 495 2HB TYR 64 3HB TYR 64 -9.149 4.023 1.418 496 HD1 TYR 64 HD1 TYR 64 -11.238 3.079 2.003 497 HD2 TYR 64 HD2 TYR 64 -7.984 0.460 0.935 498 HE1 TYR 64 HE1 TYR 64 -12.583 1.128 2.693 499 HE2 TYR 64 HE2 TYR 64 -9.370 -1.489 1.599 500 HH TYR 64 HH TYR 64 -12.545 -1.147 3.149 501 H LEU 65 H LEU 65 -9.178 1.263 -1.984 502 HA LEU 65 HA LEU 65 -12.029 1.877 -2.084 503 1HB LEU 65 2HB LEU 65 -11.862 1.759 -4.660 504 2HB LEU 65 3HB LEU 65 -11.731 3.279 -3.788 505 HG LEU 65 HG LEU 65 -10.256 3.117 -5.645 506 1HD1 LEU 65 1HD1 LEU 65 -8.346 3.250 -3.388 507 2HD1 LEU 65 2HD1 LEU 65 -8.508 4.281 -4.805 508 3HD1 LEU 65 3HD1 LEU 65 -9.683 4.429 -3.509 509 1HD2 LEU 65 1HD2 LEU 65 -8.716 0.907 -4.288 510 2HD2 LEU 65 2HD2 LEU 65 -9.726 0.762 -5.747 511 3HD2 LEU 65 3HD2 LEU 65 -8.276 1.755 -5.784 512 H GLY 66 H GLY 66 -11.819 -0.258 -0.950 513 1HA GLY 66 2HA GLY 66 -13.320 -2.048 -1.885 514 2HA GLY 66 3HA GLY 66 -12.027 -2.425 -3.018 515 H LEU 67 H LEU 67 -12.849 -4.467 -1.479 516 HA LEU 67 HA LEU 67 -10.684 -5.159 0.177 517 1HB LEU 67 2HB LEU 67 -11.796 -5.493 2.286 518 2HB LEU 67 3HB LEU 67 -11.847 -3.788 1.867 519 HG LEU 67 HG LEU 67 -14.161 -5.774 1.621 520 1HD1 LEU 67 1HD1 LEU 67 -15.056 -4.600 3.591 521 2HD1 LEU 67 2HD1 LEU 67 -13.475 -5.313 3.949 522 3HD1 LEU 67 3HD1 LEU 67 -13.612 -3.566 3.649 523 1HD2 LEU 67 1HD2 LEU 67 -14.594 -4.003 0.027 524 2HD2 LEU 67 2HD2 LEU 67 -15.555 -3.656 1.458 525 3HD2 LEU 67 3HD2 LEU 67 -14.051 -2.755 1.179 526 H GLU 68 H GLU 68 -10.995 -7.456 1.007 527 HA GLU 68 HA GLU 68 -12.955 -9.087 -0.413 528 1HB GLU 68 2HB GLU 68 -10.599 -8.511 -1.717 529 2HB GLU 68 3HB GLU 68 -10.065 -9.819 -0.635 530 1HG GLU 68 2HG GLU 68 -11.701 -11.332 -1.680 531 2HG GLU 68 3HG GLU 68 -12.169 -10.025 -2.795 Start of MODEL 23 1 1H MET 1 H1 MET 1 -11.672 -7.672 4.352 2 2H MET 1 H2 MET 1 -12.131 -6.100 4.506 3 3H MET 1 H3 MET 1 -10.707 -6.538 3.761 4 HA MET 1 HA MET 1 -10.202 -5.610 5.828 5 1HB MET 1 2HB MET 1 -12.178 -5.898 7.039 6 2HB MET 1 3HB MET 1 -12.092 -7.651 7.029 7 1HG MET 1 2HG MET 1 -9.993 -7.553 8.372 8 2HG MET 1 3HG MET 1 -10.048 -5.790 8.346 9 1HE MET 1 1HE MET 1 -13.026 -5.024 10.745 10 2HE MET 1 2HE MET 1 -11.730 -4.344 9.736 11 3HE MET 1 3HE MET 1 -13.142 -5.130 8.978 12 HA PRO 2 HA PRO 2 -7.821 -10.047 5.913 13 1HB PRO 2 2HB PRO 2 -9.840 -10.856 3.760 14 2HB PRO 2 3HB PRO 2 -8.701 -11.895 4.627 15 1HG PRO 2 2HG PRO 2 -11.232 -11.703 5.512 16 2HG PRO 2 3HG PRO 2 -9.900 -11.561 6.703 17 1HD PRO 2 2HD PRO 2 -11.572 -9.385 5.486 18 2HD PRO 2 3HD PRO 2 -10.930 -9.542 7.145 19 H LYS 3 H LYS 3 -9.490 -8.944 2.920 20 HA LYS 3 HA LYS 3 -6.913 -8.090 1.753 21 1HB LYS 3 2HB LYS 3 -8.414 -9.723 0.507 22 2HB LYS 3 3HB LYS 3 -9.558 -8.376 0.361 23 1HG LYS 3 2HG LYS 3 -7.682 -7.052 -0.749 24 2HG LYS 3 3HG LYS 3 -6.773 -8.558 -0.858 25 1HD LYS 3 2HD LYS 3 -9.637 -8.289 -1.930 26 2HD LYS 3 3HD LYS 3 -8.270 -7.676 -2.839 27 1HE LYS 3 2HE LYS 3 -8.909 -9.869 -3.649 28 2HE LYS 3 3HE LYS 3 -7.251 -9.873 -3.023 29 1HZ LYS 3 1HZ LYS 3 -8.571 -11.808 -2.389 30 2HZ LYS 3 2HZ LYS 3 -7.945 -11.057 -1.133 31 3HZ LYS 3 3HZ LYS 3 -9.581 -10.924 -1.490 32 H HIS 4 H HIS 4 -6.670 -5.938 1.104 33 HA HIS 4 HA HIS 4 -8.884 -4.051 1.138 34 1HB HIS 4 2HB HIS 4 -7.069 -2.512 2.358 35 2HB HIS 4 3HB HIS 4 -8.384 -3.340 3.184 36 HD1 HIS 4 1HD HIS 4 -7.595 -5.817 4.401 37 HD2 HIS 4 2HD HIS 4 -4.782 -2.819 3.531 38 HE1 HIS 4 1HE HIS 4 -5.650 -6.180 5.948 39 H GLU 5 H GLU 5 -8.619 -2.569 -0.483 40 HA GLU 5 HA GLU 5 -6.284 -2.981 -2.289 41 1HB GLU 5 2HB GLU 5 -9.222 -2.345 -2.715 42 2HB GLU 5 3HB GLU 5 -8.057 -2.504 -4.019 43 1HG GLU 5 2HG GLU 5 -7.636 -4.873 -3.259 44 2HG GLU 5 3HG GLU 5 -8.815 -4.678 -1.958 45 H PHE 6 H PHE 6 -5.349 -1.157 -3.349 46 HA PHE 6 HA PHE 6 -6.322 1.530 -2.550 47 1HB PHE 6 2HB PHE 6 -3.437 0.569 -2.313 48 2HB PHE 6 3HB PHE 6 -4.024 2.161 -1.907 49 HD1 PHE 6 1HD PHE 6 -4.223 -1.460 -0.945 50 HD2 PHE 6 2HD PHE 6 -4.698 2.634 0.375 51 HE1 PHE 6 1HE PHE 6 -4.640 -2.238 1.339 52 HE2 PHE 6 2HE PHE 6 -4.903 1.840 2.680 53 HZ PHE 6 HZ PHE 6 -4.992 -0.576 3.191 54 H SER 7 H SER 7 -5.909 3.151 -3.989 55 HA SER 7 HA SER 7 -4.504 2.453 -6.539 56 1HB SER 7 2HB SER 7 -6.893 3.370 -6.714 57 2HB SER 7 3HB SER 7 -6.223 4.900 -6.088 58 HG SER 7 HG SER 7 -6.152 4.930 -8.321 59 H VAL 8 H VAL 8 -2.587 3.526 -6.978 60 HA VAL 8 HA VAL 8 -1.545 5.282 -4.814 61 HB VAL 8 HB VAL 8 -0.113 2.947 -6.173 62 1HG1 VAL 8 1HG1 VAL 8 1.152 4.877 -5.016 63 2HG1 VAL 8 2HG1 VAL 8 0.318 4.428 -3.527 64 3HG1 VAL 8 3HG1 VAL 8 1.421 3.272 -4.290 65 1HG2 VAL 8 1HG2 VAL 8 -1.714 2.968 -3.574 66 2HG2 VAL 8 2HG2 VAL 8 -1.893 1.871 -4.957 67 3HG2 VAL 8 3HG2 VAL 8 -0.438 1.813 -3.951 68 H ASP 9 H ASP 9 -1.655 7.225 -6.158 69 HA ASP 9 HA ASP 9 -0.548 7.148 -8.817 70 1HB ASP 9 2HB ASP 9 -2.213 8.807 -8.178 71 2HB ASP 9 3HB ASP 9 -1.065 9.429 -6.969 72 H MET 10 H MET 10 1.417 6.008 -8.331 73 HA MET 10 HA MET 10 3.675 7.868 -7.725 74 1HB MET 10 2HB MET 10 4.872 5.965 -6.796 75 2HB MET 10 3HB MET 10 3.427 6.319 -5.849 76 1HG MET 10 2HG MET 10 2.224 4.439 -6.898 77 2HG MET 10 3HG MET 10 3.582 4.085 -7.935 78 1HE MET 10 1HE MET 10 3.700 1.590 -7.296 79 2HE MET 10 2HE MET 10 3.649 1.014 -5.615 80 3HE MET 10 3HE MET 10 2.226 1.819 -6.319 81 H THR 11 H THR 11 5.523 7.564 -9.113 82 HA THR 11 HA THR 11 5.245 5.659 -11.341 83 HB THR 11 HB THR 11 5.456 8.567 -12.132 84 HG1 THR 11 1HG THR 11 3.666 8.672 -10.920 85 1HG2 THR 11 1HG2 THR 11 4.120 6.137 -13.411 86 2HG2 THR 11 2HG2 THR 11 4.306 7.746 -14.140 87 3HG2 THR 11 3HG2 THR 11 5.738 6.753 -13.814 88 H CYS 12 H CYS 12 7.275 5.429 -9.525 89 HA CYS 12 HA CYS 12 9.599 6.180 -11.242 90 1HB CYS 12 2HB CYS 12 9.580 7.488 -9.092 91 2HB CYS 12 3HB CYS 12 9.545 5.961 -8.198 92 HG CYS 12 HG CYS 12 11.923 6.933 -8.060 93 H GLY 13 H GLY 13 11.381 4.331 -10.817 94 1HA GLY 13 2HA GLY 13 10.179 1.667 -10.587 95 2HA GLY 13 3HA GLY 13 11.901 2.086 -10.524 96 H GLY 14 H GLY 14 12.253 3.770 -8.564 97 1HA GLY 14 2HA GLY 14 12.319 2.130 -6.300 98 2HA GLY 14 3HA GLY 14 12.713 3.855 -6.332 99 H CYS 15 H CYS 15 9.639 4.053 -7.346 100 HA CYS 15 HA CYS 15 8.546 4.735 -4.810 101 1HB CYS 15 2HB CYS 15 6.445 4.888 -5.741 102 2HB CYS 15 3HB CYS 15 7.597 5.700 -6.818 103 HG CYS 15 HG CYS 15 5.468 4.118 -7.803 104 H ALA 16 H ALA 16 8.643 1.691 -6.707 105 HA ALA 16 HA ALA 16 6.746 0.260 -5.106 106 1HB ALA 16 1HB ALA 16 7.488 -0.514 -7.332 107 2HB ALA 16 2HB ALA 16 9.135 -0.767 -6.713 108 3HB ALA 16 3HB ALA 16 7.790 -1.754 -6.098 109 H GLU 17 H GLU 17 10.297 0.670 -4.893 110 HA GLU 17 HA GLU 17 10.717 -0.927 -2.585 111 1HB GLU 17 2HB GLU 17 12.158 1.676 -3.225 112 2HB GLU 17 3HB GLU 17 12.659 0.328 -2.202 113 1HG GLU 17 2HG GLU 17 13.052 -1.104 -4.075 114 2HG GLU 17 3HG GLU 17 12.340 0.068 -5.195 115 H ALA 18 H ALA 18 9.792 2.527 -2.996 116 HA ALA 18 HA ALA 18 9.951 3.256 -0.262 117 1HB ALA 18 1HB ALA 18 8.003 4.386 -2.314 118 2HB ALA 18 2HB ALA 18 8.549 5.151 -0.817 119 3HB ALA 18 3HB ALA 18 9.705 4.877 -2.140 120 H VAL 19 H VAL 19 7.116 2.127 -2.160 121 HA VAL 19 HA VAL 19 5.294 2.050 0.007 122 HB VAL 19 HB VAL 19 5.424 0.430 -2.566 123 1HG1 VAL 19 1HG1 VAL 19 3.107 0.658 -0.597 124 2HG1 VAL 19 2HG1 VAL 19 3.083 -0.153 -2.178 125 3HG1 VAL 19 3HG1 VAL 19 4.059 -0.822 -0.879 126 1HG2 VAL 19 1HG2 VAL 19 3.734 2.820 -1.669 127 2HG2 VAL 19 2HG2 VAL 19 5.058 2.877 -2.846 128 3HG2 VAL 19 3HG2 VAL 19 3.579 1.970 -3.213 129 H SER 20 H SER 20 7.380 -0.573 -1.344 130 HA SER 20 HA SER 20 6.615 -2.547 0.510 131 1HB SER 20 2HB SER 20 7.994 -3.039 -1.494 132 2HB SER 20 3HB SER 20 9.302 -2.016 -0.892 133 HG SER 20 HG SER 20 8.416 -4.388 0.397 134 H ARG 21 H ARG 21 9.296 -0.192 0.860 135 HA ARG 21 HA ARG 21 10.080 -1.017 3.435 136 1HB ARG 21 2HB ARG 21 10.265 1.666 2.011 137 2HB ARG 21 3HB ARG 21 11.012 1.345 3.588 138 1HG ARG 21 2HG ARG 21 12.318 -0.491 2.677 139 2HG ARG 21 3HG ARG 21 11.552 -0.346 1.104 140 1HD ARG 21 2HD ARG 21 12.457 1.931 0.845 141 2HD ARG 21 3HD ARG 21 13.317 1.781 2.389 142 HE ARG 21 HE ARG 21 14.400 -0.295 1.347 143 1HH1 ARG 21 2HH2 ARG 21 13.772 2.665 -0.615 144 2HH1 ARG 21 1HH2 ARG 21 14.510 1.889 -2.028 145 1HH2 ARG 21 2HH1 ARG 21 15.515 -1.048 -0.605 146 2HH2 ARG 21 1HH1 ARG 21 15.416 0.020 -2.007 147 H VAL 22 H VAL 22 7.689 1.675 2.595 148 HA VAL 22 HA VAL 22 7.231 2.232 5.284 149 HB VAL 22 HB VAL 22 6.644 3.564 3.112 150 1HG1 VAL 22 1HG1 VAL 22 4.290 3.527 2.490 151 2HG1 VAL 22 2HG1 VAL 22 4.931 1.905 2.260 152 3HG1 VAL 22 3HG1 VAL 22 3.964 2.270 3.701 153 1HG2 VAL 22 1HG2 VAL 22 6.375 4.383 5.363 154 2HG2 VAL 22 2HG2 VAL 22 4.950 4.827 4.379 155 3HG2 VAL 22 3HG2 VAL 22 4.837 3.478 5.537 156 H LEU 23 H LEU 23 5.496 -0.134 3.145 157 HA LEU 23 HA LEU 23 3.676 -0.878 5.237 158 1HB LEU 23 2HB LEU 23 4.514 -2.143 2.620 159 2HB LEU 23 3HB LEU 23 3.594 -3.043 3.804 160 HG LEU 23 HG LEU 23 2.098 -2.248 2.193 161 1HD1 LEU 23 1HD1 LEU 23 0.427 -1.136 3.551 162 2HD1 LEU 23 2HD1 LEU 23 1.250 -2.344 4.544 163 3HD1 LEU 23 3HD1 LEU 23 1.629 -0.617 4.729 164 1HD2 LEU 23 1HD2 LEU 23 3.368 -0.288 1.492 165 2HD2 LEU 23 2HD2 LEU 23 1.652 0.093 1.782 166 3HD2 LEU 23 3HD2 LEU 23 2.875 0.544 2.988 167 H ASN 24 H ASN 24 6.809 -2.327 4.209 168 HA ASN 24 HA ASN 24 6.897 -4.472 6.009 169 1HB ASN 24 2HB ASN 24 8.562 -4.303 4.309 170 2HB ASN 24 3HB ASN 24 8.970 -2.653 4.759 171 1HD2 ASN 24 1HD2 ASN 24 10.133 -2.183 6.577 172 2HD2 ASN 24 2HD2 ASN 24 11.200 -3.384 7.330 173 H LYS 25 H LYS 25 7.850 -1.075 6.470 174 HA LYS 25 HA LYS 25 8.899 -1.161 9.047 175 1HB LYS 25 2HB LYS 25 7.495 0.906 7.340 176 2HB LYS 25 3HB LYS 25 7.689 1.274 9.042 177 1HG LYS 25 2HG LYS 25 10.012 0.394 7.272 178 2HG LYS 25 3HG LYS 25 9.522 2.085 7.451 179 1HD LYS 25 2HD LYS 25 9.868 1.976 9.894 180 2HD LYS 25 3HD LYS 25 10.372 0.284 9.774 181 1HE LYS 25 2HE LYS 25 12.266 0.957 8.286 182 2HE LYS 25 3HE LYS 25 11.785 2.654 8.460 183 1HZ LYS 25 1HZ LYS 25 13.554 2.071 9.957 184 2HZ LYS 25 2HZ LYS 25 12.214 2.461 10.822 185 3HZ LYS 25 3HZ LYS 25 12.659 0.885 10.654 186 H LEU 26 H LEU 26 5.505 -1.228 8.095 187 HA LEU 26 HA LEU 26 4.381 -0.655 10.645 188 1HB LEU 26 2HB LEU 26 3.298 -0.705 8.416 189 2HB LEU 26 3HB LEU 26 3.255 -2.443 8.415 190 HG LEU 26 HG LEU 26 1.175 -1.223 8.952 191 1HD1 LEU 26 1HD1 LEU 26 1.387 -3.589 9.456 192 2HD1 LEU 26 2HD1 LEU 26 1.918 -3.193 11.110 193 3HD1 LEU 26 3HD1 LEU 26 0.302 -2.719 10.556 194 1HD2 LEU 26 1HD2 LEU 26 2.155 0.507 10.508 195 2HD2 LEU 26 2HD2 LEU 26 0.735 -0.322 11.160 196 3HD2 LEU 26 3HD2 LEU 26 2.348 -0.771 11.729 197 H GLY 27 H GLY 27 5.612 -3.651 9.159 198 1HA GLY 27 2HA GLY 27 6.229 -4.928 11.532 199 2HA GLY 27 3HA GLY 27 4.524 -5.340 11.254 200 H GLY 28 H GLY 28 3.960 -6.699 9.514 201 1HA GLY 28 2HA GLY 28 6.026 -7.948 7.815 202 2HA GLY 28 3HA GLY 28 5.314 -8.973 9.082 203 H VAL 29 H VAL 29 4.035 -6.397 7.049 204 HA VAL 29 HA VAL 29 1.494 -7.734 6.702 205 HB VAL 29 HB VAL 29 1.316 -5.439 7.056 206 1HG1 VAL 29 1HG1 VAL 29 2.508 -3.702 5.744 207 2HG1 VAL 29 2HG1 VAL 29 3.473 -4.601 6.888 208 3HG1 VAL 29 3HG1 VAL 29 3.600 -4.981 5.158 209 1HG2 VAL 29 1HG2 VAL 29 0.291 -4.494 5.122 210 2HG2 VAL 29 2HG2 VAL 29 1.141 -5.579 4.023 211 3HG2 VAL 29 3HG2 VAL 29 -0.081 -6.221 5.129 212 H LYS 30 H LYS 30 0.676 -8.750 4.908 213 HA LYS 30 HA LYS 30 2.491 -9.157 2.584 214 1HB LYS 30 2HB LYS 30 1.593 -11.146 3.290 215 2HB LYS 30 3HB LYS 30 -0.023 -10.475 3.491 216 1HG LYS 30 2HG LYS 30 0.085 -11.940 1.515 217 2HG LYS 30 3HG LYS 30 -0.365 -10.322 1.094 218 1HD LYS 30 2HD LYS 30 1.205 -11.183 -0.563 219 2HD LYS 30 3HD LYS 30 1.902 -9.798 0.237 220 1HE LYS 30 2HE LYS 30 3.552 -11.595 -0.077 221 2HE LYS 30 3HE LYS 30 3.333 -11.219 1.633 222 1HZ LYS 30 1HZ LYS 30 2.080 -13.485 0.224 223 2HZ LYS 30 2HZ LYS 30 3.382 -13.581 1.227 224 3HZ LYS 30 3HZ LYS 30 1.918 -13.136 1.826 225 H TYR 31 H TYR 31 2.543 -7.423 1.483 226 HA TYR 31 HA TYR 31 0.094 -6.232 0.263 227 1HB TYR 31 2HB TYR 31 1.543 -4.285 -0.251 228 2HB TYR 31 3HB TYR 31 1.266 -4.540 1.468 229 HD1 TYR 31 HD1 TYR 31 3.779 -4.857 -1.248 230 HD2 TYR 31 HD2 TYR 31 3.057 -5.197 2.962 231 HE1 TYR 31 HE1 TYR 31 6.228 -5.104 -0.841 232 HE2 TYR 31 HE2 TYR 31 5.484 -5.376 3.389 233 HH TYR 31 HH TYR 31 7.573 -5.438 2.448 234 H ASP 32 H ASP 32 0.139 -5.909 -2.007 235 HA ASP 32 HA ASP 32 2.442 -6.946 -3.524 236 1HB ASP 32 2HB ASP 32 0.529 -8.632 -3.579 237 2HB ASP 32 3HB ASP 32 -0.478 -7.375 -4.304 238 H ILE 33 H ILE 33 2.478 -5.910 -5.655 239 HA ILE 33 HA ILE 33 1.484 -3.075 -5.538 240 HB ILE 33 HB ILE 33 4.345 -3.821 -6.219 241 1HG1 ILE 33 2HG1 ILE 33 4.542 -2.283 -3.998 242 2HG1 ILE 33 3HG1 ILE 33 3.079 -3.155 -3.569 243 1HG2 ILE 33 1HG2 ILE 33 2.946 -1.170 -5.730 244 2HG2 ILE 33 2HG2 ILE 33 4.677 -1.387 -6.087 245 3HG2 ILE 33 3HG2 ILE 33 3.468 -1.780 -7.311 246 1HD1 ILE 33 1HD1 ILE 33 5.265 -4.202 -2.813 247 2HD1 ILE 33 2HD1 ILE 33 4.270 -5.305 -3.786 248 3HD1 ILE 33 3HD1 ILE 33 5.679 -4.484 -4.501 249 H ASP 34 H ASP 34 0.136 -3.053 -7.262 250 HA ASP 34 HA ASP 34 1.004 -4.203 -9.859 251 1HB ASP 34 2HB ASP 34 -1.373 -4.398 -9.185 252 2HB ASP 34 3HB ASP 34 -1.499 -2.631 -9.236 253 H LEU 35 H LEU 35 2.880 -2.997 -9.961 254 HA LEU 35 HA LEU 35 2.983 -0.180 -9.658 255 1HB LEU 35 2HB LEU 35 4.929 -1.617 -9.367 256 2HB LEU 35 3HB LEU 35 4.867 -2.116 -11.057 257 HG LEU 35 HG LEU 35 5.400 0.203 -11.777 258 1HD1 LEU 35 1HD1 LEU 35 5.667 0.756 -8.785 259 2HD1 LEU 35 2HD1 LEU 35 6.220 1.827 -10.089 260 3HD1 LEU 35 3HD1 LEU 35 4.494 1.513 -9.891 261 1HD2 LEU 35 1HD2 LEU 35 7.196 -1.445 -11.438 262 2HD2 LEU 35 2HD2 LEU 35 7.745 0.188 -11.020 263 3HD2 LEU 35 3HD2 LEU 35 7.336 -0.965 -9.735 264 HA PRO 36 HA PRO 36 2.791 0.158 -14.443 265 1HB PRO 36 2HB PRO 36 1.288 -1.685 -15.854 266 2HB PRO 36 3HB PRO 36 3.065 -1.728 -15.674 267 1HG PRO 36 2HG PRO 36 1.003 -3.241 -14.075 268 2HG PRO 36 3HG PRO 36 2.517 -3.866 -14.781 269 1HD PRO 36 2HD PRO 36 2.339 -3.226 -12.209 270 2HD PRO 36 3HD PRO 36 3.830 -2.818 -13.101 271 H ASN 37 H ASN 37 -0.097 -1.530 -12.871 272 HA ASN 37 HA ASN 37 -1.836 0.457 -14.141 273 1HB ASN 37 2HB ASN 37 -2.513 -1.582 -12.011 274 2HB ASN 37 3HB ASN 37 -3.636 -0.535 -12.826 275 1HD2 ASN 37 1HD2 ASN 37 -1.451 -3.257 -13.330 276 2HD2 ASN 37 2HD2 ASN 37 -2.118 -3.753 -14.892 277 H LYS 38 H LYS 38 -0.020 0.323 -11.107 278 HA LYS 38 HA LYS 38 0.404 1.927 -9.643 279 1HB LYS 38 2HB LYS 38 -1.459 3.748 -11.246 280 2HB LYS 38 3HB LYS 38 -0.539 4.192 -9.833 281 1HG LYS 38 2HG LYS 38 1.573 3.661 -10.923 282 2HG LYS 38 3HG LYS 38 0.751 2.981 -12.325 283 1HD LYS 38 2HD LYS 38 1.709 5.257 -12.662 284 2HD LYS 38 3HD LYS 38 -0.013 5.117 -13.075 285 1HE LYS 38 2HE LYS 38 -0.712 6.328 -11.154 286 2HE LYS 38 3HE LYS 38 0.810 6.027 -10.310 287 1HZ LYS 38 1HZ LYS 38 0.617 8.280 -11.027 288 2HZ LYS 38 2HZ LYS 38 1.919 7.564 -11.728 289 3HZ LYS 38 3HZ LYS 38 0.539 7.843 -12.602 290 H LYS 39 H LYS 39 -0.978 -0.128 -8.978 291 HA LYS 39 HA LYS 39 -2.845 0.924 -6.956 292 1HB LYS 39 2HB LYS 39 -3.385 -1.517 -8.740 293 2HB LYS 39 3HB LYS 39 -4.116 -1.286 -7.162 294 1HG LYS 39 2HG LYS 39 -5.786 -0.470 -8.460 295 2HG LYS 39 3HG LYS 39 -4.917 1.008 -8.065 296 1HD LYS 39 2HD LYS 39 -3.621 0.494 -10.305 297 2HD LYS 39 3HD LYS 39 -4.995 -0.555 -10.658 298 1HE LYS 39 2HE LYS 39 -6.538 1.394 -10.370 299 2HE LYS 39 3HE LYS 39 -5.162 2.419 -9.911 300 1HZ LYS 39 1HZ LYS 39 -5.723 2.774 -12.182 301 2HZ LYS 39 2HZ LYS 39 -4.230 2.089 -12.071 302 3HZ LYS 39 3HZ LYS 39 -5.514 1.179 -12.553 303 H VAL 40 H VAL 40 -2.820 -0.380 -4.971 304 HA VAL 40 HA VAL 40 -0.736 -2.459 -4.800 305 HB VAL 40 HB VAL 40 -1.379 -0.027 -3.116 306 1HG1 VAL 40 1HG1 VAL 40 -1.868 -1.693 -1.583 307 2HG1 VAL 40 2HG1 VAL 40 -0.399 -2.638 -1.972 308 3HG1 VAL 40 3HG1 VAL 40 -0.270 -1.048 -1.168 309 1HG2 VAL 40 1HG2 VAL 40 1.242 -1.467 -3.668 310 2HG2 VAL 40 2HG2 VAL 40 0.580 -0.164 -4.682 311 3HG2 VAL 40 3HG2 VAL 40 1.010 0.164 -2.990 312 H CYS 41 H CYS 41 -1.529 -4.268 -3.723 313 HA CYS 41 HA CYS 41 -4.330 -4.153 -2.673 314 1HB CYS 41 2HB CYS 41 -3.203 -6.203 -4.625 315 2HB CYS 41 3HB CYS 41 -4.578 -6.525 -3.541 316 HG CYS 41 HG CYS 41 -4.307 -4.004 -5.626 317 H ILE 42 H ILE 42 -4.430 -5.049 -0.661 318 HA ILE 42 HA ILE 42 -1.984 -6.453 0.310 319 HB ILE 42 HB ILE 42 -3.747 -4.517 1.831 320 1HG1 ILE 42 2HG1 ILE 42 -1.065 -4.092 0.443 321 2HG1 ILE 42 3HG1 ILE 42 -2.574 -3.211 0.184 322 1HG2 ILE 42 1HG2 ILE 42 -2.563 -6.315 3.164 323 2HG2 ILE 42 2HG2 ILE 42 -1.022 -5.642 2.576 324 3HG2 ILE 42 3HG2 ILE 42 -2.101 -4.679 3.588 325 1HD1 ILE 42 1HD1 ILE 42 -2.385 -2.304 2.525 326 2HD1 ILE 42 2HD1 ILE 42 -0.770 -3.051 2.615 327 3HD1 ILE 42 3HD1 ILE 42 -1.100 -1.795 1.415 328 H GLU 43 H GLU 43 -2.316 -8.255 1.445 329 HA GLU 43 HA GLU 43 -5.075 -9.097 2.096 330 1HB GLU 43 2HB GLU 43 -4.538 -9.904 -0.192 331 2HB GLU 43 3HB GLU 43 -3.174 -10.825 0.459 332 1HG GLU 43 2HG GLU 43 -4.643 -12.234 1.753 333 2HG GLU 43 3HG GLU 43 -6.022 -11.145 1.510 334 H SER 44 H SER 44 -4.638 -8.852 4.261 335 HA SER 44 HA SER 44 -2.558 -10.460 5.531 336 1HB SER 44 2HB SER 44 -1.584 -8.224 4.414 337 2HB SER 44 3HB SER 44 -2.286 -7.453 5.830 338 HG SER 44 HG SER 44 -0.905 -8.752 7.103 339 H GLU 45 H GLU 45 -3.093 -10.660 7.784 340 HA GLU 45 HA GLU 45 -5.714 -9.714 8.565 341 1HB GLU 45 2HB GLU 45 -3.529 -11.124 10.159 342 2HB GLU 45 3HB GLU 45 -5.210 -10.890 10.662 343 1HG GLU 45 2HG GLU 45 -5.985 -12.195 8.688 344 2HG GLU 45 3HG GLU 45 -4.301 -12.489 8.216 345 H HIS 46 H HIS 46 -5.047 -7.388 8.098 346 HA HIS 46 HA HIS 46 -4.268 -6.101 10.686 347 1HB HIS 46 2HB HIS 46 -3.421 -5.249 7.887 348 2HB HIS 46 3HB HIS 46 -3.167 -4.305 9.359 349 HD1 HIS 46 1HD HIS 46 -1.964 -6.445 11.306 350 HD2 HIS 46 2HD HIS 46 -1.024 -5.983 7.239 351 HE1 HIS 46 1HE HIS 46 0.432 -7.281 11.007 352 H SER 47 H SER 47 -5.243 -4.090 11.076 353 HA SER 47 HA SER 47 -7.858 -3.729 9.856 354 1HB SER 47 2HB SER 47 -7.418 -3.245 12.264 355 2HB SER 47 3HB SER 47 -6.412 -1.866 11.766 356 HG SER 47 HG SER 47 -8.146 -0.795 11.375 357 H MET 48 H MET 48 -8.436 -2.160 8.445 358 HA MET 48 HA MET 48 -6.510 -1.611 6.408 359 1HB MET 48 2HB MET 48 -9.332 -0.492 6.696 360 2HB MET 48 3HB MET 48 -8.386 -0.652 5.204 361 1HG MET 48 2HG MET 48 -8.326 -3.150 5.617 362 2HG MET 48 3HG MET 48 -9.473 -2.922 6.935 363 1HE MET 48 1HE MET 48 -11.462 -0.669 5.687 364 2HE MET 48 2HE MET 48 -12.711 -1.780 5.088 365 3HE MET 48 3HE MET 48 -11.945 -2.082 6.665 366 H ASP 49 H ASP 49 -8.090 0.350 8.871 367 HA ASP 49 HA ASP 49 -7.343 2.957 8.105 368 1HB ASP 49 2HB ASP 49 -7.940 3.591 10.311 369 2HB ASP 49 3HB ASP 49 -9.055 2.305 9.847 370 H THR 50 H THR 50 -5.832 0.638 10.168 371 HA THR 50 HA THR 50 -3.635 2.124 11.074 372 HB THR 50 HB THR 50 -3.900 -0.900 10.744 373 HG1 THR 50 1HG THR 50 -5.636 0.307 11.937 374 1HG2 THR 50 1HG2 THR 50 -1.608 -0.248 11.352 375 2HG2 THR 50 2HG2 THR 50 -2.233 0.766 12.675 376 3HG2 THR 50 3HG2 THR 50 -2.434 -0.997 12.731 377 H LEU 51 H LEU 51 -3.842 -0.190 8.295 378 HA LEU 51 HA LEU 51 -1.117 0.328 7.458 379 1HB LEU 51 2HB LEU 51 -3.457 -0.558 5.736 380 2HB LEU 51 3HB LEU 51 -1.736 -0.550 5.309 381 HG LEU 51 HG LEU 51 -3.221 -2.308 7.292 382 1HD1 LEU 51 1HD1 LEU 51 -1.194 -2.836 5.079 383 2HD1 LEU 51 2HD1 LEU 51 -2.245 -4.042 5.874 384 3HD1 LEU 51 3HD1 LEU 51 -2.933 -2.755 4.836 385 1HD2 LEU 51 1HD2 LEU 51 -0.190 -1.932 7.124 386 2HD2 LEU 51 2HD2 LEU 51 -1.213 -1.693 8.569 387 3HD2 LEU 51 3HD2 LEU 51 -0.986 -3.313 7.903 388 H LEU 52 H LEU 52 -4.274 1.675 6.345 389 HA LEU 52 HA LEU 52 -3.411 3.607 4.574 390 1HB LEU 52 2HB LEU 52 -5.595 3.415 6.565 391 2HB LEU 52 3HB LEU 52 -5.208 5.063 6.098 392 HG LEU 52 HG LEU 52 -5.967 2.804 4.221 393 1HD1 LEU 52 1HD1 LEU 52 -7.612 5.106 5.310 394 2HD1 LEU 52 2HD1 LEU 52 -8.135 3.953 4.062 395 3HD1 LEU 52 3HD1 LEU 52 -7.790 3.379 5.701 396 1HD2 LEU 52 1HD2 LEU 52 -6.339 4.730 2.598 397 2HD2 LEU 52 2HD2 LEU 52 -5.604 5.819 3.783 398 3HD2 LEU 52 3HD2 LEU 52 -4.639 4.536 3.025 399 H ALA 53 H ALA 53 -3.498 4.039 8.146 400 HA ALA 53 HA ALA 53 -2.177 6.529 8.222 401 1HB ALA 53 1HB ALA 53 -1.771 6.036 10.586 402 2HB ALA 53 2HB ALA 53 -3.414 5.539 10.134 403 3HB ALA 53 3HB ALA 53 -2.137 4.321 10.322 404 H THR 54 H THR 54 -0.708 3.261 8.335 405 HA THR 54 HA THR 54 1.917 4.354 8.533 406 HB THR 54 HB THR 54 1.012 1.815 8.617 407 HG1 THR 54 1HG THR 54 3.279 1.477 8.967 408 1HG2 THR 54 1HG2 THR 54 1.154 1.514 6.168 409 2HG2 THR 54 2HG2 THR 54 2.851 2.080 6.231 410 3HG2 THR 54 3HG2 THR 54 2.371 0.558 6.990 411 H LEU 55 H LEU 55 0.179 3.321 5.598 412 HA LEU 55 HA LEU 55 2.432 3.926 3.965 413 1HB LEU 55 2HB LEU 55 1.141 3.281 2.119 414 2HB LEU 55 3HB LEU 55 1.054 2.160 3.455 415 HG LEU 55 HG LEU 55 -1.186 3.557 3.982 416 1HD1 LEU 55 1HD1 LEU 55 -2.249 4.209 1.889 417 2HD1 LEU 55 2HD1 LEU 55 -0.661 5.015 2.038 418 3HD1 LEU 55 3HD1 LEU 55 -0.828 3.607 0.980 419 1HD2 LEU 55 1HD2 LEU 55 -0.952 1.117 3.680 420 2HD2 LEU 55 2HD2 LEU 55 -2.371 1.737 2.813 421 3HD2 LEU 55 3HD2 LEU 55 -0.883 1.334 1.921 422 H LYS 56 H LYS 56 -0.467 5.730 4.665 423 HA LYS 56 HA LYS 56 -0.481 7.904 3.092 424 1HB LYS 56 2HB LYS 56 -0.747 7.503 6.052 425 2HB LYS 56 3HB LYS 56 -0.569 9.164 5.566 426 1HG LYS 56 2HG LYS 56 -2.483 8.997 4.015 427 2HG LYS 56 3HG LYS 56 -2.718 7.303 4.497 428 1HD LYS 56 2HD LYS 56 -2.801 8.090 6.892 429 2HD LYS 56 3HD LYS 56 -2.736 9.757 6.318 430 1HE LYS 56 2HE LYS 56 -4.880 9.409 5.066 431 2HE LYS 56 3HE LYS 56 -4.920 7.717 5.595 432 1HZ LYS 56 1HZ LYS 56 -6.340 9.090 6.930 433 2HZ LYS 56 2HZ LYS 56 -5.129 8.483 7.858 434 3HZ LYS 56 3HZ LYS 56 -5.092 10.058 7.377 435 H LYS 57 H LYS 57 1.987 7.330 5.565 436 HA LYS 57 HA LYS 57 3.342 9.758 5.638 437 1HB LYS 57 2HB LYS 57 4.289 6.909 5.856 438 2HB LYS 57 3HB LYS 57 5.321 8.306 6.264 439 1HG LYS 57 2HG LYS 57 3.417 8.972 7.886 440 2HG LYS 57 3HG LYS 57 2.786 7.345 7.668 441 1HD LYS 57 2HD LYS 57 5.480 8.236 8.791 442 2HD LYS 57 3HD LYS 57 4.188 7.427 9.669 443 1HE LYS 57 2HE LYS 57 5.990 6.211 7.507 444 2HE LYS 57 3HE LYS 57 6.082 5.914 9.244 445 1HZ LYS 57 1HZ LYS 57 3.828 5.190 7.505 446 2HZ LYS 57 2HZ LYS 57 4.925 4.133 8.104 447 3HZ LYS 57 3HZ LYS 57 3.895 4.887 9.121 448 H THR 58 H THR 58 3.325 7.513 2.872 449 HA THR 58 HA THR 58 5.771 8.321 1.661 450 HB THR 58 HB THR 58 4.523 7.743 -0.481 451 HG1 THR 58 1HG THR 58 2.398 8.287 0.448 452 1HG2 THR 58 1HG2 THR 58 5.803 6.073 0.760 453 2HG2 THR 58 2HG2 THR 58 4.414 5.774 1.826 454 3HG2 THR 58 3HG2 THR 58 4.314 5.349 0.102 455 H GLY 59 H GLY 59 2.716 10.025 2.075 456 1HA GLY 59 2HA GLY 59 2.027 12.085 1.435 457 2HA GLY 59 3HA GLY 59 3.749 12.498 1.241 458 H LYS 60 H LYS 60 1.290 10.452 -0.425 459 HA LYS 60 HA LYS 60 1.836 11.748 -3.028 460 1HB LYS 60 2HB LYS 60 1.698 8.746 -2.449 461 2HB LYS 60 3HB LYS 60 1.796 9.454 -4.056 462 1HG LYS 60 2HG LYS 60 3.902 9.709 -1.854 463 2HG LYS 60 3HG LYS 60 3.958 8.533 -3.140 464 1HD LYS 60 2HD LYS 60 4.340 10.111 -4.833 465 2HD LYS 60 3HD LYS 60 3.801 11.478 -3.873 466 1HE LYS 60 2HE LYS 60 6.350 9.892 -3.314 467 2HE LYS 60 3HE LYS 60 6.232 11.442 -4.157 468 1HZ LYS 60 1HZ LYS 60 5.076 12.223 -2.023 469 2HZ LYS 60 2HZ LYS 60 5.713 10.923 -1.306 470 3HZ LYS 60 3HZ LYS 60 6.722 12.025 -1.980 471 H THR 61 H THR 61 0.084 11.156 -4.620 472 HA THR 61 HA THR 61 -2.544 11.230 -3.457 473 HB THR 61 HB THR 61 -2.701 10.736 -6.165 474 HG1 THR 61 1HG THR 61 -0.915 11.589 -7.132 475 1HG2 THR 61 1HG2 THR 61 -2.345 13.419 -4.770 476 2HG2 THR 61 2HG2 THR 61 -3.031 13.186 -6.393 477 3HG2 THR 61 3HG2 THR 61 -3.879 12.537 -4.976 478 H VAL 62 H VAL 62 -1.825 9.255 -2.241 479 HA VAL 62 HA VAL 62 -2.746 6.780 -3.634 480 HB VAL 62 HB VAL 62 -0.617 6.401 -2.692 481 1HG1 VAL 62 1HG1 VAL 62 -0.136 6.677 -0.260 482 2HG1 VAL 62 2HG1 VAL 62 -0.349 8.198 -1.134 483 3HG1 VAL 62 3HG1 VAL 62 -1.656 7.584 -0.095 484 1HG2 VAL 62 1HG2 VAL 62 -1.030 4.553 -1.237 485 2HG2 VAL 62 2HG2 VAL 62 -2.559 5.244 -0.655 486 3HG2 VAL 62 3HG2 VAL 62 -2.427 4.660 -2.323 487 H SER 63 H SER 63 -4.530 5.631 -2.834 488 HA SER 63 HA SER 63 -5.767 6.455 -0.348 489 1HB SER 63 2HB SER 63 -6.687 8.135 -2.044 490 2HB SER 63 3HB SER 63 -7.445 6.756 -2.869 491 HG SER 63 HG SER 63 -7.936 7.812 -0.294 492 H TYR 64 H TYR 64 -8.013 5.235 -0.329 493 HA TYR 64 HA TYR 64 -7.317 2.340 -0.687 494 1HB TYR 64 2HB TYR 64 -7.204 2.779 1.594 495 2HB TYR 64 3HB TYR 64 -8.522 3.949 1.545 496 HD1 TYR 64 HD1 TYR 64 -10.770 3.342 1.895 497 HD2 TYR 64 HD2 TYR 64 -7.793 0.273 1.314 498 HE1 TYR 64 HE1 TYR 64 -12.452 1.620 2.425 499 HE2 TYR 64 HE2 TYR 64 -9.488 -1.456 1.879 500 HH TYR 64 HH TYR 64 -12.896 -0.605 2.555 501 H LEU 65 H LEU 65 -8.759 1.133 -1.845 502 HA LEU 65 HA LEU 65 -11.569 1.861 -2.134 503 1HB LEU 65 2HB LEU 65 -11.237 1.666 -4.693 504 2HB LEU 65 3HB LEU 65 -11.122 3.205 -3.850 505 HG LEU 65 HG LEU 65 -9.523 2.957 -5.601 506 1HD1 LEU 65 1HD1 LEU 65 -9.070 4.313 -3.490 507 2HD1 LEU 65 2HD1 LEU 65 -7.811 3.081 -3.212 508 3HD1 LEU 65 3HD1 LEU 65 -7.793 4.063 -4.670 509 1HD2 LEU 65 1HD2 LEU 65 -8.179 0.715 -4.103 510 2HD2 LEU 65 2HD2 LEU 65 -9.105 0.575 -5.617 511 3HD2 LEU 65 3HD2 LEU 65 -7.610 1.488 -5.594 512 H GLY 66 H GLY 66 -11.534 -0.269 -0.972 513 1HA GLY 66 2HA GLY 66 -13.049 -2.015 -2.002 514 2HA GLY 66 3HA GLY 66 -11.681 -2.468 -3.022 515 H LEU 67 H LEU 67 -12.849 -4.363 -1.321 516 HA LEU 67 HA LEU 67 -10.677 -5.086 0.358 517 1HB LEU 67 2HB LEU 67 -11.761 -5.104 2.488 518 2HB LEU 67 3HB LEU 67 -11.825 -3.463 1.904 519 HG LEU 67 HG LEU 67 -14.241 -5.092 1.190 520 1HD1 LEU 67 1HD1 LEU 67 -13.768 -6.136 3.320 521 2HD1 LEU 67 2HD1 LEU 67 -13.570 -4.550 4.106 522 3HD1 LEU 67 3HD1 LEU 67 -15.158 -5.059 3.482 523 1HD2 LEU 67 1HD2 LEU 67 -14.023 -2.595 0.927 524 2HD2 LEU 67 2HD2 LEU 67 -15.438 -3.151 1.842 525 3HD2 LEU 67 3HD2 LEU 67 -14.043 -2.487 2.708 526 H GLU 68 H GLU 68 -11.107 -7.135 1.506 527 HA GLU 68 HA GLU 68 -13.623 -8.506 0.937 528 1HB GLU 68 2HB GLU 68 -11.729 -9.319 -0.686 529 2HB GLU 68 3HB GLU 68 -10.976 -10.011 0.769 530 1HG GLU 68 2HG GLU 68 -12.974 -11.395 1.145 531 2HG GLU 68 3HG GLU 68 -13.741 -10.689 -0.293 Start of MODEL 24 1 1H MET 1 H1 MET 1 -9.196 -13.382 7.128 2 2H MET 1 H2 MET 1 -8.386 -12.871 8.497 3 3H MET 1 H3 MET 1 -9.613 -11.974 7.895 4 HA MET 1 HA MET 1 -7.421 -11.086 7.433 5 1HB MET 1 2HB MET 1 -6.302 -13.233 7.278 6 2HB MET 1 3HB MET 1 -7.168 -13.633 5.787 7 1HG MET 1 2HG MET 1 -6.125 -11.688 4.654 8 2HG MET 1 3HG MET 1 -5.273 -11.286 6.143 9 1HE MET 1 1HE MET 1 -3.361 -12.837 7.196 10 2HE MET 1 2HE MET 1 -4.324 -14.336 7.087 11 3HE MET 1 3HE MET 1 -2.702 -14.268 6.372 12 HA PRO 2 HA PRO 2 -10.275 -9.908 4.035 13 1HB PRO 2 2HB PRO 2 -10.258 -7.276 4.295 14 2HB PRO 2 3HB PRO 2 -11.061 -8.280 5.543 15 1HG PRO 2 2HG PRO 2 -8.284 -7.042 5.659 16 2HG PRO 2 3HG PRO 2 -9.530 -7.041 6.939 17 1HD PRO 2 2HD PRO 2 -7.445 -8.858 6.791 18 2HD PRO 2 3HD PRO 2 -9.027 -9.246 7.539 19 H LYS 3 H LYS 3 -10.030 -8.696 2.058 20 HA LYS 3 HA LYS 3 -7.211 -8.214 1.197 21 1HB LYS 3 2HB LYS 3 -8.258 -10.119 0.142 22 2HB LYS 3 3HB LYS 3 -9.660 -9.179 -0.327 23 1HG LYS 3 2HG LYS 3 -6.938 -8.228 -1.252 24 2HG LYS 3 3HG LYS 3 -7.584 -9.717 -1.954 25 1HD LYS 3 2HD LYS 3 -9.674 -8.605 -2.575 26 2HD LYS 3 3HD LYS 3 -9.105 -7.070 -1.893 27 1HE LYS 3 2HE LYS 3 -7.312 -6.959 -3.570 28 2HE LYS 3 3HE LYS 3 -7.811 -8.528 -4.241 29 1HZ LYS 3 1HZ LYS 3 -9.596 -6.185 -4.071 30 2HZ LYS 3 2HZ LYS 3 -8.748 -6.536 -5.435 31 3HZ LYS 3 3HZ LYS 3 -9.958 -7.529 -4.794 32 H HIS 4 H HIS 4 -6.767 -6.151 0.376 33 HA HIS 4 HA HIS 4 -8.975 -4.239 -0.002 34 1HB HIS 4 2HB HIS 4 -7.541 -2.777 1.614 35 2HB HIS 4 3HB HIS 4 -8.809 -3.836 2.216 36 HD1 HIS 4 1HD HIS 4 -7.422 -6.503 2.914 37 HD2 HIS 4 2HD HIS 4 -5.619 -2.712 3.285 38 HE1 HIS 4 1HE HIS 4 -5.578 -6.739 4.619 39 H GLU 5 H GLU 5 -8.547 -2.746 -1.456 40 HA GLU 5 HA GLU 5 -5.876 -2.715 -2.749 41 1HB GLU 5 2HB GLU 5 -8.689 -2.202 -3.797 42 2HB GLU 5 3HB GLU 5 -7.237 -1.782 -4.685 43 1HG GLU 5 2HG GLU 5 -6.558 -4.269 -4.263 44 2HG GLU 5 3HG GLU 5 -8.243 -4.499 -3.787 45 H PHE 6 H PHE 6 -4.998 -0.837 -3.509 46 HA PHE 6 HA PHE 6 -6.203 1.785 -2.881 47 1HB PHE 6 2HB PHE 6 -3.288 1.063 -2.267 48 2HB PHE 6 3HB PHE 6 -4.086 2.599 -1.973 49 HD1 PHE 6 1HD PHE 6 -4.558 3.083 0.288 50 HD2 PHE 6 2HD PHE 6 -4.218 -1.044 -0.934 51 HE1 PHE 6 1HE PHE 6 -4.855 2.346 2.635 52 HE2 PHE 6 2HE PHE 6 -4.601 -1.766 1.378 53 HZ PHE 6 HZ PHE 6 -4.912 -0.075 3.190 54 H SER 7 H SER 7 -6.084 3.057 -4.590 55 HA SER 7 HA SER 7 -4.450 2.316 -6.901 56 1HB SER 7 2HB SER 7 -6.197 4.708 -6.193 57 2HB SER 7 3HB SER 7 -5.368 4.425 -7.703 58 HG SER 7 HG SER 7 -7.544 3.659 -7.782 59 H VAL 8 H VAL 8 -2.351 2.942 -7.103 60 HA VAL 8 HA VAL 8 -1.218 5.051 -5.311 61 HB VAL 8 HB VAL 8 0.042 2.507 -6.455 62 1HG1 VAL 8 1HG1 VAL 8 1.133 4.741 -4.724 63 2HG1 VAL 8 2HG1 VAL 8 1.875 3.122 -4.801 64 3HG1 VAL 8 3HG1 VAL 8 1.745 4.079 -6.271 65 1HG2 VAL 8 1HG2 VAL 8 -0.812 3.299 -3.617 66 2HG2 VAL 8 2HG2 VAL 8 -1.541 1.997 -4.579 67 3HG2 VAL 8 3HG2 VAL 8 0.123 1.859 -4.003 68 H ASP 9 H ASP 9 -1.669 6.716 -6.896 69 HA ASP 9 HA ASP 9 -0.627 6.330 -9.559 70 1HB ASP 9 2HB ASP 9 -2.514 7.966 -8.921 71 2HB ASP 9 3HB ASP 9 -1.224 9.098 -8.540 72 H MET 10 H MET 10 1.445 5.596 -9.033 73 HA MET 10 HA MET 10 3.472 7.767 -8.636 74 1HB MET 10 2HB MET 10 3.563 4.793 -7.932 75 2HB MET 10 3HB MET 10 4.908 5.933 -7.789 76 1HG MET 10 2HG MET 10 2.253 6.228 -6.329 77 2HG MET 10 3HG MET 10 3.647 5.431 -5.645 78 1HE MET 10 1HE MET 10 5.873 6.696 -4.916 79 2HE MET 10 2HE MET 10 6.126 7.401 -6.540 80 3HE MET 10 3HE MET 10 6.136 8.443 -5.112 81 H THR 11 H THR 11 5.311 7.597 -10.010 82 HA THR 11 HA THR 11 5.548 5.345 -11.838 83 HB THR 11 HB THR 11 5.349 8.126 -13.087 84 HG1 THR 11 1HG THR 11 3.447 6.193 -12.499 85 1HG2 THR 11 1HG2 THR 11 6.614 6.427 -14.418 86 2HG2 THR 11 2HG2 THR 11 5.248 5.305 -14.274 87 3HG2 THR 11 3HG2 THR 11 5.068 6.822 -15.177 88 H CYS 12 H CYS 12 7.049 5.884 -9.672 89 HA CYS 12 HA CYS 12 9.572 7.138 -10.698 90 1HB CYS 12 2HB CYS 12 8.821 8.031 -8.612 91 2HB CYS 12 3HB CYS 12 8.601 6.418 -7.917 92 HG CYS 12 HG CYS 12 10.671 7.561 -6.849 93 H GLY 13 H GLY 13 8.049 4.039 -10.116 94 1HA GLY 13 2HA GLY 13 8.907 1.902 -10.364 95 2HA GLY 13 3HA GLY 13 10.500 2.562 -10.774 96 H GLY 14 H GLY 14 11.473 3.876 -8.816 97 1HA GLY 14 2HA GLY 14 11.913 2.312 -6.488 98 2HA GLY 14 3HA GLY 14 12.201 4.057 -6.646 99 H CYS 15 H CYS 15 9.192 4.257 -7.366 100 HA CYS 15 HA CYS 15 7.894 4.825 -4.989 101 1HB CYS 15 2HB CYS 15 5.809 4.488 -6.093 102 2HB CYS 15 3HB CYS 15 6.956 5.291 -7.172 103 HG CYS 15 HG CYS 15 7.680 2.768 -8.151 104 H ALA 16 H ALA 16 8.300 1.602 -6.573 105 HA ALA 16 HA ALA 16 6.661 0.205 -4.696 106 1HB ALA 16 1HB ALA 16 7.715 -1.818 -5.710 107 2HB ALA 16 2HB ALA 16 7.156 -0.681 -6.950 108 3HB ALA 16 3HB ALA 16 8.885 -0.783 -6.552 109 H GLU 17 H GLU 17 10.205 0.809 -4.932 110 HA GLU 17 HA GLU 17 10.969 -0.730 -2.711 111 1HB GLU 17 2HB GLU 17 12.092 1.796 -3.984 112 2HB GLU 17 3HB GLU 17 12.893 1.006 -2.653 113 1HG GLU 17 2HG GLU 17 12.093 -0.880 -4.835 114 2HG GLU 17 3HG GLU 17 13.218 0.380 -5.318 115 H ALA 18 H ALA 18 9.814 2.633 -2.934 116 HA ALA 18 HA ALA 18 10.265 3.299 -0.171 117 1HB ALA 18 1HB ALA 18 8.825 5.242 -0.641 118 2HB ALA 18 2HB ALA 18 10.020 5.000 -1.932 119 3HB ALA 18 3HB ALA 18 8.328 4.525 -2.186 120 H VAL 19 H VAL 19 7.288 2.399 -1.962 121 HA VAL 19 HA VAL 19 5.531 2.353 0.252 122 HB VAL 19 HB VAL 19 5.535 0.893 -2.414 123 1HG1 VAL 19 1HG1 VAL 19 3.248 1.091 -0.410 124 2HG1 VAL 19 2HG1 VAL 19 3.177 0.438 -2.062 125 3HG1 VAL 19 3HG1 VAL 19 4.115 -0.409 -0.837 126 1HG2 VAL 19 1HG2 VAL 19 5.301 3.430 -2.404 127 2HG2 VAL 19 2HG2 VAL 19 3.874 2.587 -3.026 128 3HG2 VAL 19 3HG2 VAL 19 3.874 3.246 -1.378 129 H SER 20 H SER 20 7.399 -0.336 -1.244 130 HA SER 20 HA SER 20 6.668 -2.385 0.515 131 1HB SER 20 2HB SER 20 8.068 -2.830 -1.473 132 2HB SER 20 3HB SER 20 9.311 -1.712 -0.904 133 HG SER 20 HG SER 20 8.698 -4.239 0.198 134 H ARG 21 H ARG 21 9.472 -0.117 0.962 135 HA ARG 21 HA ARG 21 10.119 -1.108 3.498 136 1HB ARG 21 2HB ARG 21 10.515 1.598 2.180 137 2HB ARG 21 3HB ARG 21 11.211 1.193 3.765 138 1HG ARG 21 2HG ARG 21 12.451 -0.633 2.900 139 2HG ARG 21 3HG ARG 21 11.563 -0.680 1.412 140 1HD ARG 21 2HD ARG 21 12.536 1.553 0.751 141 2HD ARG 21 3HD ARG 21 13.456 1.560 2.256 142 HE ARG 21 HE ARG 21 15.043 0.299 1.219 143 1HH1 ARG 21 2HH2 ARG 21 11.943 -0.373 -0.459 144 2HH1 ARG 21 1HH2 ARG 21 12.771 -1.390 -1.649 145 1HH2 ARG 21 2HH1 ARG 21 16.003 -0.921 -0.608 146 2HH2 ARG 21 1HH1 ARG 21 14.878 -1.526 -1.811 147 H VAL 22 H VAL 22 7.847 1.707 2.771 148 HA VAL 22 HA VAL 22 7.391 2.140 5.485 149 HB VAL 22 HB VAL 22 6.765 3.561 3.358 150 1HG1 VAL 22 1HG1 VAL 22 4.939 2.042 2.525 151 2HG1 VAL 22 2HG1 VAL 22 4.085 2.312 4.062 152 3HG1 VAL 22 3HG1 VAL 22 4.354 3.648 2.933 153 1HG2 VAL 22 1HG2 VAL 22 5.217 4.834 4.809 154 2HG2 VAL 22 2HG2 VAL 22 5.142 3.434 5.912 155 3HG2 VAL 22 3HG2 VAL 22 6.691 4.296 5.654 156 H LEU 23 H LEU 23 5.518 -0.008 3.234 157 HA LEU 23 HA LEU 23 3.685 -0.804 5.229 158 1HB LEU 23 2HB LEU 23 4.579 -1.988 2.588 159 2HB LEU 23 3HB LEU 23 3.613 -2.945 3.689 160 HG LEU 23 HG LEU 23 2.198 -2.002 2.041 161 1HD1 LEU 23 1HD1 LEU 23 1.626 -0.699 4.743 162 2HD1 LEU 23 2HD1 LEU 23 0.475 -1.013 3.440 163 3HD1 LEU 23 3HD1 LEU 23 1.222 -2.369 4.282 164 1HD2 LEU 23 1HD2 LEU 23 2.923 0.690 3.159 165 2HD2 LEU 23 2HD2 LEU 23 3.510 0.012 1.620 166 3HD2 LEU 23 3HD2 LEU 23 1.781 0.358 1.835 167 H ASN 24 H ASN 24 6.835 -2.253 4.282 168 HA ASN 24 HA ASN 24 6.757 -4.480 6.020 169 1HB ASN 24 2HB ASN 24 8.425 -4.324 4.304 170 2HB ASN 24 3HB ASN 24 8.966 -2.748 4.866 171 1HD2 ASN 24 1HD2 ASN 24 9.967 -2.552 6.890 172 2HD2 ASN 24 2HD2 ASN 24 10.969 -3.872 7.525 173 H LYS 25 H LYS 25 7.809 -1.108 6.545 174 HA LYS 25 HA LYS 25 8.795 -1.317 9.176 175 1HB LYS 25 2HB LYS 25 7.877 0.897 7.386 176 2HB LYS 25 3HB LYS 25 7.566 1.187 9.084 177 1HG LYS 25 2HG LYS 25 9.652 2.127 8.683 178 2HG LYS 25 3HG LYS 25 9.926 0.661 9.643 179 1HD LYS 25 2HD LYS 25 10.395 -0.530 7.400 180 2HD LYS 25 3HD LYS 25 10.400 1.059 6.643 181 1HE LYS 25 2HE LYS 25 12.258 0.055 8.866 182 2HE LYS 25 3HE LYS 25 12.690 0.280 7.168 183 1HZ LYS 25 1HZ LYS 25 12.295 2.645 7.450 184 2HZ LYS 25 2HZ LYS 25 11.929 2.423 9.042 185 3HZ LYS 25 3HZ LYS 25 13.443 2.102 8.495 186 H LEU 26 H LEU 26 5.434 -1.249 8.043 187 HA LEU 26 HA LEU 26 4.277 -0.538 10.533 188 1HB LEU 26 2HB LEU 26 3.208 -0.626 8.255 189 2HB LEU 26 3HB LEU 26 3.113 -2.363 8.357 190 HG LEU 26 HG LEU 26 1.118 -0.870 8.880 191 1HD1 LEU 26 1HD1 LEU 26 1.113 -3.327 9.153 192 2HD1 LEU 26 2HD1 LEU 26 1.672 -3.137 10.827 193 3HD1 LEU 26 3HD1 LEU 26 0.094 -2.486 10.338 194 1HD2 LEU 26 1HD2 LEU 26 2.293 0.510 10.687 195 2HD2 LEU 26 2HD2 LEU 26 0.718 -0.145 11.133 196 3HD2 LEU 26 3HD2 LEU 26 2.191 -0.911 11.733 197 H GLY 27 H GLY 27 5.377 -3.620 9.169 198 1HA GLY 27 2HA GLY 27 5.922 -4.849 11.575 199 2HA GLY 27 3HA GLY 27 4.188 -5.164 11.344 200 H GLY 28 H GLY 28 3.489 -6.609 9.717 201 1HA GLY 28 2HA GLY 28 5.537 -8.065 8.120 202 2HA GLY 28 3HA GLY 28 4.629 -8.955 9.358 203 H VAL 29 H VAL 29 3.490 -6.259 7.369 204 HA VAL 29 HA VAL 29 1.138 -7.719 6.518 205 HB VAL 29 HB VAL 29 1.273 -5.252 7.100 206 1HG1 VAL 29 1HG1 VAL 29 2.237 -3.665 5.756 207 2HG1 VAL 29 2HG1 VAL 29 3.465 -4.930 5.689 208 3HG1 VAL 29 3HG1 VAL 29 2.305 -4.750 4.350 209 1HG2 VAL 29 1HG2 VAL 29 0.167 -6.126 4.414 210 2HG2 VAL 29 2HG2 VAL 29 -0.697 -5.961 5.960 211 3HG2 VAL 29 3HG2 VAL 29 -0.136 -4.522 5.100 212 H LYS 30 H LYS 30 0.904 -8.886 4.588 213 HA LYS 30 HA LYS 30 3.079 -8.730 2.616 214 1HB LYS 30 2HB LYS 30 1.810 -10.910 3.275 215 2HB LYS 30 3HB LYS 30 0.581 -10.315 2.152 216 1HG LYS 30 2HG LYS 30 3.450 -11.129 1.633 217 2HG LYS 30 3HG LYS 30 1.971 -11.694 0.844 218 1HD LYS 30 2HD LYS 30 1.786 -9.338 -0.213 219 2HD LYS 30 3HD LYS 30 3.384 -8.999 0.475 220 1HE LYS 30 2HE LYS 30 3.806 -9.482 -1.667 221 2HE LYS 30 3HE LYS 30 4.315 -10.943 -0.812 222 1HZ LYS 30 1HZ LYS 30 2.530 -12.093 -1.858 223 2HZ LYS 30 2HZ LYS 30 1.603 -10.708 -1.930 224 3HZ LYS 30 3HZ LYS 30 2.753 -10.844 -2.972 225 H TYR 31 H TYR 31 2.985 -6.981 1.464 226 HA TYR 31 HA TYR 31 0.473 -5.885 0.287 227 1HB TYR 31 2HB TYR 31 1.902 -3.906 -0.206 228 2HB TYR 31 3HB TYR 31 1.758 -4.235 1.519 229 HD1 TYR 31 HD1 TYR 31 3.687 -5.124 2.808 230 HD2 TYR 31 HD2 TYR 31 4.045 -4.358 -1.393 231 HE1 TYR 31 HE1 TYR 31 6.090 -5.567 2.964 232 HE2 TYR 31 HE2 TYR 31 6.465 -4.893 -1.272 233 HH TYR 31 HH TYR 31 8.017 -5.935 1.771 234 H ASP 32 H ASP 32 0.320 -5.912 -2.000 235 HA ASP 32 HA ASP 32 2.674 -6.872 -3.572 236 1HB ASP 32 2HB ASP 32 -0.269 -7.541 -3.716 237 2HB ASP 32 3HB ASP 32 0.754 -7.679 -5.142 238 H ILE 33 H ILE 33 3.141 -5.539 -5.279 239 HA ILE 33 HA ILE 33 1.601 -2.975 -5.495 240 HB ILE 33 HB ILE 33 4.575 -3.519 -5.747 241 1HG1 ILE 33 2HG1 ILE 33 3.692 -1.540 -3.737 242 2HG1 ILE 33 3HG1 ILE 33 3.141 -3.170 -3.359 243 1HG2 ILE 33 1HG2 ILE 33 2.994 -0.919 -5.994 244 2HG2 ILE 33 2HG2 ILE 33 4.764 -1.028 -5.901 245 3HG2 ILE 33 3HG2 ILE 33 3.912 -1.727 -7.280 246 1HD1 ILE 33 1HD1 ILE 33 5.363 -2.636 -2.380 247 2HD1 ILE 33 2HD1 ILE 33 5.396 -4.047 -3.461 248 3HD1 ILE 33 3HD1 ILE 33 6.029 -2.472 -4.014 249 H ASP 34 H ASP 34 0.532 -2.976 -7.417 250 HA ASP 34 HA ASP 34 1.759 -4.272 -9.801 251 1HB ASP 34 2HB ASP 34 -0.626 -4.783 -9.303 252 2HB ASP 34 3HB ASP 34 -1.006 -3.064 -9.534 253 H LEU 35 H LEU 35 3.108 -2.955 -10.801 254 HA LEU 35 HA LEU 35 3.142 -0.130 -10.297 255 1HB LEU 35 2HB LEU 35 5.027 -2.034 -11.108 256 2HB LEU 35 3HB LEU 35 4.815 -1.065 -12.556 257 HG LEU 35 HG LEU 35 6.640 -0.224 -11.352 258 1HD1 LEU 35 1HD1 LEU 35 5.176 1.469 -12.426 259 2HD1 LEU 35 2HD1 LEU 35 4.352 1.736 -10.875 260 3HD1 LEU 35 3HD1 LEU 35 6.075 2.111 -11.039 261 1HD2 LEU 35 1HD2 LEU 35 5.998 -1.146 -9.119 262 2HD2 LEU 35 2HD2 LEU 35 6.665 0.490 -9.084 263 3HD2 LEU 35 3HD2 LEU 35 4.916 0.245 -8.892 264 HA PRO 36 HA PRO 36 2.069 0.389 -14.929 265 1HB PRO 36 2HB PRO 36 0.729 -1.611 -16.294 266 2HB PRO 36 3HB PRO 36 2.501 -1.384 -16.293 267 1HG PRO 36 2HG PRO 36 0.875 -3.251 -14.556 268 2HG PRO 36 3HG PRO 36 2.356 -3.627 -15.479 269 1HD PRO 36 2HD PRO 36 2.458 -3.104 -12.867 270 2HD PRO 36 3HD PRO 36 3.710 -2.430 -13.945 271 H ASN 37 H ASN 37 -0.214 -1.735 -13.049 272 HA ASN 37 HA ASN 37 -2.487 -0.108 -13.970 273 1HB ASN 37 2HB ASN 37 -2.420 -2.315 -11.887 274 2HB ASN 37 3HB ASN 37 -3.839 -1.526 -12.558 275 1HD2 ASN 37 1HD2 ASN 37 -1.140 -3.695 -13.351 276 2HD2 ASN 37 2HD2 ASN 37 -1.896 -4.373 -14.795 277 H LYS 38 H LYS 38 -0.031 0.464 -11.657 278 HA LYS 38 HA LYS 38 0.160 1.947 -10.012 279 1HB LYS 38 2HB LYS 38 -2.228 3.219 -11.451 280 2HB LYS 38 3HB LYS 38 -1.250 3.999 -10.211 281 1HG LYS 38 2HG LYS 38 0.787 3.570 -11.581 282 2HG LYS 38 3HG LYS 38 -0.230 2.961 -12.899 283 1HD LYS 38 2HD LYS 38 -1.322 5.132 -13.163 284 2HD LYS 38 3HD LYS 38 -0.609 5.709 -11.656 285 1HE LYS 38 2HE LYS 38 1.686 5.156 -12.851 286 2HE LYS 38 3HE LYS 38 0.754 5.318 -14.334 287 1HZ LYS 38 1HZ LYS 38 0.330 7.574 -13.784 288 2HZ LYS 38 2HZ LYS 38 0.715 7.394 -12.222 289 3HZ LYS 38 3HZ LYS 38 1.922 7.338 -13.338 290 H LYS 39 H LYS 39 -0.717 -0.254 -8.978 291 HA LYS 39 HA LYS 39 -2.660 0.664 -6.944 292 1HB LYS 39 2HB LYS 39 -2.916 -1.884 -8.597 293 2HB LYS 39 3HB LYS 39 -3.617 -1.711 -6.982 294 1HG LYS 39 2HG LYS 39 -4.854 0.317 -7.759 295 2HG LYS 39 3HG LYS 39 -4.320 -0.030 -9.417 296 1HD LYS 39 2HD LYS 39 -5.428 -2.243 -9.303 297 2HD LYS 39 3HD LYS 39 -5.816 -1.980 -7.590 298 1HE LYS 39 2HE LYS 39 -7.188 0.028 -8.237 299 2HE LYS 39 3HE LYS 39 -6.936 -0.391 -9.943 300 1HZ LYS 39 1HZ LYS 39 -9.021 -1.268 -9.030 301 2HZ LYS 39 2HZ LYS 39 -8.026 -2.517 -9.459 302 3HZ LYS 39 3HZ LYS 39 -8.190 -2.111 -7.893 303 H VAL 40 H VAL 40 -2.459 -0.297 -4.920 304 HA VAL 40 HA VAL 40 -0.481 -2.437 -4.582 305 HB VAL 40 HB VAL 40 -1.243 -0.001 -2.956 306 1HG1 VAL 40 1HG1 VAL 40 -0.379 -1.076 -0.897 307 2HG1 VAL 40 2HG1 VAL 40 -1.944 -1.667 -1.480 308 3HG1 VAL 40 3HG1 VAL 40 -0.472 -2.654 -1.729 309 1HG2 VAL 40 1HG2 VAL 40 1.090 0.129 -2.556 310 2HG2 VAL 40 2HG2 VAL 40 1.368 -1.533 -3.140 311 3HG2 VAL 40 3HG2 VAL 40 0.903 -0.255 -4.286 312 H CYS 41 H CYS 41 -1.375 -4.243 -3.782 313 HA CYS 41 HA CYS 41 -4.146 -4.134 -2.730 314 1HB CYS 41 2HB CYS 41 -4.692 -6.245 -3.690 315 2HB CYS 41 3HB CYS 41 -4.258 -5.134 -5.002 316 HG CYS 41 HG CYS 41 -2.280 -7.336 -3.540 317 H ILE 42 H ILE 42 -4.309 -5.059 -0.765 318 HA ILE 42 HA ILE 42 -1.913 -6.463 0.335 319 HB ILE 42 HB ILE 42 -3.737 -4.526 1.799 320 1HG1 ILE 42 2HG1 ILE 42 -1.047 -4.000 0.476 321 2HG1 ILE 42 3HG1 ILE 42 -2.596 -3.189 0.181 322 1HG2 ILE 42 1HG2 ILE 42 -2.073 -4.674 3.568 323 2HG2 ILE 42 2HG2 ILE 42 -2.521 -6.312 3.142 324 3HG2 ILE 42 3HG2 ILE 42 -1.000 -5.627 2.527 325 1HD1 ILE 42 1HD1 ILE 42 -2.526 -2.334 2.560 326 2HD1 ILE 42 2HD1 ILE 42 -0.862 -2.958 2.659 327 3HD1 ILE 42 3HD1 ILE 42 -1.265 -1.702 1.482 328 H GLU 43 H GLU 43 -2.382 -8.278 1.470 329 HA GLU 43 HA GLU 43 -5.115 -8.755 2.437 330 1HB GLU 43 2HB GLU 43 -4.917 -9.729 0.104 331 2HB GLU 43 3HB GLU 43 -3.711 -10.856 0.738 332 1HG GLU 43 2HG GLU 43 -5.382 -11.698 2.375 333 2HG GLU 43 3HG GLU 43 -6.586 -10.551 1.765 334 H SER 44 H SER 44 -4.280 -8.440 4.483 335 HA SER 44 HA SER 44 -2.838 -10.631 5.699 336 1HB SER 44 2HB SER 44 -1.560 -7.918 5.295 337 2HB SER 44 3HB SER 44 -1.121 -8.938 6.682 338 HG SER 44 HG SER 44 -1.172 -10.077 4.109 339 H GLU 45 H GLU 45 -3.200 -10.605 7.966 340 HA GLU 45 HA GLU 45 -5.597 -9.085 8.615 341 1HB GLU 45 2HB GLU 45 -5.176 -11.581 8.967 342 2HB GLU 45 3HB GLU 45 -4.232 -11.131 10.393 343 1HG GLU 45 2HG GLU 45 -6.178 -10.184 11.447 344 2HG GLU 45 3HG GLU 45 -7.098 -10.169 9.933 345 H HIS 46 H HIS 46 -4.186 -7.126 8.383 346 HA HIS 46 HA HIS 46 -3.618 -6.145 11.144 347 1HB HIS 46 2HB HIS 46 -2.411 -5.214 8.507 348 2HB HIS 46 3HB HIS 46 -2.414 -4.237 9.974 349 HD1 HIS 46 1HD HIS 46 -0.959 -5.347 12.115 350 HD2 HIS 46 2HD HIS 46 -0.290 -6.652 8.186 351 HE1 HIS 46 1HE HIS 46 1.401 -6.314 12.064 352 H SER 47 H SER 47 -4.742 -4.114 11.517 353 HA SER 47 HA SER 47 -7.267 -4.023 10.153 354 1HB SER 47 2HB SER 47 -7.009 -3.420 12.532 355 2HB SER 47 3HB SER 47 -6.082 -1.979 12.059 356 HG SER 47 HG SER 47 -7.884 -1.043 11.671 357 H MET 48 H MET 48 -8.029 -2.642 8.631 358 HA MET 48 HA MET 48 -6.238 -1.761 6.627 359 1HB MET 48 2HB MET 48 -9.135 -0.890 7.063 360 2HB MET 48 3HB MET 48 -8.197 -0.764 5.562 361 1HG MET 48 2HG MET 48 -7.924 -3.269 5.605 362 2HG MET 48 3HG MET 48 -9.035 -3.308 6.989 363 1HE MET 48 1HE MET 48 -10.554 -5.064 5.734 364 2HE MET 48 2HE MET 48 -11.165 -4.825 4.082 365 3HE MET 48 3HE MET 48 -9.417 -5.017 4.357 366 H ASP 49 H ASP 49 -7.994 -0.005 9.145 367 HA ASP 49 HA ASP 49 -7.330 2.632 8.433 368 1HB ASP 49 2HB ASP 49 -8.034 3.272 10.583 369 2HB ASP 49 3HB ASP 49 -9.005 1.845 10.224 370 H THR 50 H THR 50 -5.715 0.447 10.564 371 HA THR 50 HA THR 50 -3.540 2.011 11.377 372 HB THR 50 HB THR 50 -3.819 -1.019 11.131 373 HG1 THR 50 1HG THR 50 -5.441 0.213 12.386 374 1HG2 THR 50 1HG2 THR 50 -1.915 0.626 12.828 375 2HG2 THR 50 2HG2 THR 50 -2.233 -1.113 13.022 376 3HG2 THR 50 3HG2 THR 50 -1.494 -0.523 11.529 377 H LEU 51 H LEU 51 -3.731 -0.388 8.695 378 HA LEU 51 HA LEU 51 -1.076 0.043 7.696 379 1HB LEU 51 2HB LEU 51 -3.616 -0.662 6.165 380 2HB LEU 51 3HB LEU 51 -1.967 -0.730 5.516 381 HG LEU 51 HG LEU 51 -2.928 -2.317 7.950 382 1HD1 LEU 51 1HD1 LEU 51 -4.235 -2.989 6.045 383 2HD1 LEU 51 2HD1 LEU 51 -2.789 -3.104 5.024 384 3HD1 LEU 51 3HD1 LEU 51 -3.039 -4.255 6.359 385 1HD2 LEU 51 1HD2 LEU 51 -0.516 -2.090 7.906 386 2HD2 LEU 51 2HD2 LEU 51 -0.909 -3.728 7.390 387 3HD2 LEU 51 3HD2 LEU 51 -0.446 -2.503 6.185 388 H LEU 52 H LEU 52 -4.219 1.506 6.642 389 HA LEU 52 HA LEU 52 -3.327 3.199 4.694 390 1HB LEU 52 2HB LEU 52 -5.580 2.493 5.381 391 2HB LEU 52 3HB LEU 52 -5.533 3.579 6.759 392 HG LEU 52 HG LEU 52 -5.324 4.475 3.842 393 1HD1 LEU 52 1HD1 LEU 52 -7.756 4.950 4.141 394 2HD1 LEU 52 2HD1 LEU 52 -7.377 3.221 4.365 395 3HD1 LEU 52 3HD1 LEU 52 -7.663 4.242 5.779 396 1HD2 LEU 52 1HD2 LEU 52 -4.472 6.201 5.325 397 2HD2 LEU 52 2HD2 LEU 52 -6.131 6.654 4.912 398 3HD2 LEU 52 3HD2 LEU 52 -5.780 5.914 6.495 399 H ALA 53 H ALA 53 -3.859 4.028 8.160 400 HA ALA 53 HA ALA 53 -2.853 6.635 8.065 401 1HB ALA 53 1HB ALA 53 -2.871 4.668 10.400 402 2HB ALA 53 2HB ALA 53 -2.698 6.431 10.535 403 3HB ALA 53 3HB ALA 53 -4.213 5.732 9.927 404 H THR 54 H THR 54 -1.099 3.576 8.646 405 HA THR 54 HA THR 54 1.417 4.855 9.196 406 HB THR 54 HB THR 54 0.780 2.083 8.092 407 HG1 THR 54 1HG THR 54 -0.021 2.344 10.095 408 1HG2 THR 54 1HG2 THR 54 3.054 2.653 7.484 409 2HG2 THR 54 2HG2 THR 54 3.375 3.306 9.111 410 3HG2 THR 54 3HG2 THR 54 3.096 1.571 8.874 411 H LEU 55 H LEU 55 0.203 3.311 6.163 412 HA LEU 55 HA LEU 55 2.534 3.946 4.718 413 1HB LEU 55 2HB LEU 55 1.460 3.085 2.844 414 2HB LEU 55 3HB LEU 55 1.180 2.094 4.250 415 HG LEU 55 HG LEU 55 -1.110 3.360 4.375 416 1HD1 LEU 55 1HD1 LEU 55 -1.871 3.975 2.098 417 2HD1 LEU 55 2HD1 LEU 55 -0.478 4.956 2.611 418 3HD1 LEU 55 3HD1 LEU 55 -0.211 3.610 1.512 419 1HD2 LEU 55 1HD2 LEU 55 -2.071 1.618 2.884 420 2HD2 LEU 55 2HD2 LEU 55 -0.448 1.283 2.245 421 3HD2 LEU 55 3HD2 LEU 55 -0.824 0.944 3.953 422 H LYS 56 H LYS 56 -0.471 5.675 5.056 423 HA LYS 56 HA LYS 56 -0.473 7.744 3.438 424 1HB LYS 56 2HB LYS 56 -1.746 7.353 5.723 425 2HB LYS 56 3HB LYS 56 -0.483 8.362 6.424 426 1HG LYS 56 2HG LYS 56 -1.163 10.120 4.687 427 2HG LYS 56 3HG LYS 56 -2.457 8.982 4.216 428 1HD LYS 56 2HD LYS 56 -3.324 9.009 6.547 429 2HD LYS 56 3HD LYS 56 -2.048 10.158 7.007 430 1HE LYS 56 2HE LYS 56 -2.959 11.821 5.384 431 2HE LYS 56 3HE LYS 56 -4.214 10.668 4.896 432 1HZ LYS 56 1HZ LYS 56 -3.919 11.828 7.591 433 2HZ LYS 56 2HZ LYS 56 -5.040 12.258 6.469 434 3HZ LYS 56 3HZ LYS 56 -5.084 10.757 7.133 435 H LYS 57 H LYS 57 1.977 7.324 5.956 436 HA LYS 57 HA LYS 57 3.101 9.891 6.108 437 1HB LYS 57 2HB LYS 57 4.232 7.129 6.534 438 2HB LYS 57 3HB LYS 57 5.119 8.617 6.955 439 1HG LYS 57 2HG LYS 57 3.307 9.280 8.464 440 2HG LYS 57 3HG LYS 57 2.332 7.904 7.924 441 1HD LYS 57 2HD LYS 57 4.023 6.317 8.767 442 2HD LYS 57 3HD LYS 57 4.925 7.673 9.482 443 1HE LYS 57 2HE LYS 57 3.011 8.242 10.916 444 2HE LYS 57 3HE LYS 57 1.973 7.078 10.081 445 1HZ LYS 57 1HZ LYS 57 3.312 5.304 10.946 446 2HZ LYS 57 2HZ LYS 57 4.309 6.364 11.723 447 3HZ LYS 57 3HZ LYS 57 2.733 6.232 12.168 448 H THR 58 H THR 58 3.396 7.562 3.421 449 HA THR 58 HA THR 58 5.826 8.598 2.309 450 HB THR 58 HB THR 58 4.854 7.732 0.149 451 HG1 THR 58 1HG THR 58 2.624 8.078 0.680 452 1HG2 THR 58 1HG2 THR 58 4.824 5.373 0.875 453 2HG2 THR 58 2HG2 THR 58 6.151 6.281 1.640 454 3HG2 THR 58 3HG2 THR 58 4.682 5.902 2.565 455 H GLY 59 H GLY 59 2.533 9.851 2.419 456 1HA GLY 59 2HA GLY 59 1.576 11.742 1.640 457 2HA GLY 59 3HA GLY 59 3.214 12.437 1.617 458 H LYS 60 H LYS 60 1.335 9.994 -0.260 459 HA LYS 60 HA LYS 60 1.854 11.364 -2.818 460 1HB LYS 60 2HB LYS 60 2.336 8.400 -2.254 461 2HB LYS 60 3HB LYS 60 2.490 9.201 -3.816 462 1HG LYS 60 2HG LYS 60 4.197 9.786 -1.360 463 2HG LYS 60 3HG LYS 60 4.651 8.708 -2.644 464 1HD LYS 60 2HD LYS 60 4.840 10.429 -4.266 465 2HD LYS 60 3HD LYS 60 3.965 11.603 -3.301 466 1HE LYS 60 2HE LYS 60 6.718 10.500 -2.571 467 2HE LYS 60 3HE LYS 60 6.379 12.042 -3.368 468 1HZ LYS 60 1HZ LYS 60 6.563 12.581 -1.130 469 2HZ LYS 60 2HZ LYS 60 4.918 12.491 -1.346 470 3HZ LYS 60 3HZ LYS 60 5.702 11.285 -0.606 471 H THR 61 H THR 61 0.547 9.940 -4.574 472 HA THR 61 HA THR 61 -2.107 10.359 -3.901 473 HB THR 61 HB THR 61 -1.504 8.777 -6.329 474 HG1 THR 61 1HG THR 61 0.190 9.785 -7.039 475 1HG2 THR 61 1HG2 THR 61 -2.447 10.775 -7.445 476 2HG2 THR 61 2HG2 THR 61 -3.473 10.276 -6.087 477 3HG2 THR 61 3HG2 THR 61 -2.382 11.672 -5.917 478 H VAL 62 H VAL 62 -1.045 8.180 -2.186 479 HA VAL 62 HA VAL 62 -2.076 5.673 -3.279 480 HB VAL 62 HB VAL 62 -0.107 5.464 -2.095 481 1HG1 VAL 62 1HG1 VAL 62 -0.063 7.411 -0.613 482 2HG1 VAL 62 2HG1 VAL 62 -1.370 6.726 0.376 483 3HG1 VAL 62 3HG1 VAL 62 0.205 5.924 0.291 484 1HG2 VAL 62 1HG2 VAL 62 -2.003 3.756 -1.819 485 2HG2 VAL 62 2HG2 VAL 62 -0.662 3.670 -0.674 486 3HG2 VAL 62 3HG2 VAL 62 -2.212 4.400 -0.190 487 H SER 63 H SER 63 -4.142 6.015 -3.670 488 HA SER 63 HA SER 63 -5.983 7.086 -1.616 489 1HB SER 63 2HB SER 63 -6.475 6.350 -4.528 490 2HB SER 63 3HB SER 63 -7.472 7.385 -3.491 491 HG SER 63 HG SER 63 -4.774 7.902 -4.325 492 H TYR 64 H TYR 64 -7.222 5.677 -0.435 493 HA TYR 64 HA TYR 64 -6.919 2.810 -0.819 494 1HB TYR 64 2HB TYR 64 -6.697 3.756 1.395 495 2HB TYR 64 3HB TYR 64 -8.226 4.611 1.234 496 HD1 TYR 64 HD1 TYR 64 -7.262 1.001 0.642 497 HD2 TYR 64 HD2 TYR 64 -9.800 3.801 2.732 498 HE1 TYR 64 HE1 TYR 64 -8.703 -0.847 1.378 499 HE2 TYR 64 HE2 TYR 64 -11.158 1.914 3.585 500 HH TYR 64 HH TYR 64 -10.652 -1.417 2.447 501 H LEU 65 H LEU 65 -8.400 1.414 -1.779 502 HA LEU 65 HA LEU 65 -11.238 1.983 -1.711 503 1HB LEU 65 2HB LEU 65 -11.354 1.503 -4.242 504 2HB LEU 65 3HB LEU 65 -11.210 3.128 -3.605 505 HG LEU 65 HG LEU 65 -9.891 2.454 -5.644 506 1HD1 LEU 65 1HD1 LEU 65 -8.058 3.982 -5.123 507 2HD1 LEU 65 2HD1 LEU 65 -9.694 4.566 -4.792 508 3HD1 LEU 65 3HD1 LEU 65 -8.675 4.048 -3.468 509 1HD2 LEU 65 1HD2 LEU 65 -7.667 1.592 -5.455 510 2HD2 LEU 65 2HD2 LEU 65 -8.029 1.071 -3.805 511 3HD2 LEU 65 3HD2 LEU 65 -8.931 0.415 -5.175 512 H GLY 66 H GLY 66 -10.911 -0.090 -0.359 513 1HA GLY 66 2HA GLY 66 -12.209 -2.025 -1.927 514 2HA GLY 66 3HA GLY 66 -10.535 -2.568 -1.811 515 H LEU 67 H LEU 67 -13.334 -3.341 -0.608 516 HA LEU 67 HA LEU 67 -12.195 -4.360 1.916 517 1HB LEU 67 2HB LEU 67 -15.008 -3.165 1.584 518 2HB LEU 67 3HB LEU 67 -14.480 -4.209 2.911 519 HG LEU 67 HG LEU 67 -12.480 -2.446 2.934 520 1HD1 LEU 67 1HD1 LEU 67 -13.440 -0.117 2.772 521 2HD1 LEU 67 2HD1 LEU 67 -13.500 -0.939 1.206 522 3HD1 LEU 67 3HD1 LEU 67 -14.966 -0.805 2.192 523 1HD2 LEU 67 1HD2 LEU 67 -15.139 -2.105 4.387 524 2HD2 LEU 67 2HD2 LEU 67 -13.779 -3.131 4.897 525 3HD2 LEU 67 3HD2 LEU 67 -13.598 -1.369 4.885 526 H GLU 68 H GLU 68 -11.792 -6.371 1.056 527 HA GLU 68 HA GLU 68 -14.063 -7.929 -0.022 528 1HB GLU 68 2HB GLU 68 -11.192 -7.396 -0.849 529 2HB GLU 68 3HB GLU 68 -11.992 -8.882 -1.253 530 1HG GLU 68 2HG GLU 68 -13.608 -7.710 -2.655 531 2HG GLU 68 3HG GLU 68 -13.193 -6.148 -1.929 Start of MODEL 25 1 1H MET 1 H1 MET 1 -6.516 -12.446 5.297 2 2H MET 1 H2 MET 1 -7.138 -13.747 6.115 3 3H MET 1 H3 MET 1 -7.442 -13.390 4.478 4 HA MET 1 HA MET 1 -9.215 -12.711 6.331 5 1HB MET 1 2HB MET 1 -6.964 -10.637 6.287 6 2HB MET 1 3HB MET 1 -8.580 -10.137 6.689 7 1HG MET 1 2HG MET 1 -7.374 -10.614 8.719 8 2HG MET 1 3HG MET 1 -8.665 -11.805 8.520 9 1HE MET 1 1HE MET 1 -7.769 -13.503 10.249 10 2HE MET 1 2HE MET 1 -6.058 -13.980 10.366 11 3HE MET 1 3HE MET 1 -6.531 -12.294 10.682 12 HA PRO 2 HA PRO 2 -10.665 -10.759 2.430 13 1HB PRO 2 2HB PRO 2 -11.705 -8.337 3.099 14 2HB PRO 2 3HB PRO 2 -12.616 -9.867 3.286 15 1HG PRO 2 2HG PRO 2 -11.054 -8.366 5.418 16 2HG PRO 2 3HG PRO 2 -12.705 -9.043 5.553 17 1HD PRO 2 2HD PRO 2 -10.626 -10.424 6.543 18 2HD PRO 2 3HD PRO 2 -11.856 -11.282 5.595 19 H LYS 3 H LYS 3 -9.574 -9.402 0.976 20 HA LYS 3 HA LYS 3 -7.190 -8.027 2.042 21 1HB LYS 3 2HB LYS 3 -6.223 -8.321 -0.001 22 2HB LYS 3 3HB LYS 3 -7.375 -9.673 -0.066 23 1HG LYS 3 2HG LYS 3 -8.989 -7.933 -1.061 24 2HG LYS 3 3HG LYS 3 -7.531 -6.924 -1.262 25 1HD LYS 3 2HD LYS 3 -6.604 -8.945 -2.641 26 2HD LYS 3 3HD LYS 3 -8.298 -9.516 -2.646 27 1HE LYS 3 2HE LYS 3 -8.907 -7.074 -3.374 28 2HE LYS 3 3HE LYS 3 -7.173 -6.865 -3.677 29 1HZ LYS 3 1HZ LYS 3 -8.362 -7.314 -5.582 30 2HZ LYS 3 2HZ LYS 3 -7.363 -8.615 -5.333 31 3HZ LYS 3 3HZ LYS 3 -8.988 -8.740 -5.019 32 H HIS 4 H HIS 4 -6.680 -5.890 1.227 33 HA HIS 4 HA HIS 4 -9.003 -4.049 0.851 34 1HB HIS 4 2HB HIS 4 -6.275 -3.506 2.066 35 2HB HIS 4 3HB HIS 4 -7.720 -2.496 2.192 36 HD1 HIS 4 1HD HIS 4 -6.144 -5.756 3.514 37 HD2 HIS 4 2HD HIS 4 -9.524 -3.333 4.060 38 HE1 HIS 4 1HE HIS 4 -7.282 -6.570 5.661 39 H GLU 5 H GLU 5 -8.714 -2.517 -0.944 40 HA GLU 5 HA GLU 5 -6.239 -2.919 -2.591 41 1HB GLU 5 2HB GLU 5 -9.076 -2.237 -3.453 42 2HB GLU 5 3HB GLU 5 -7.634 -2.174 -4.467 43 1HG GLU 5 2HG GLU 5 -7.340 -4.665 -3.610 44 2HG GLU 5 3HG GLU 5 -9.082 -4.556 -3.337 45 H PHE 6 H PHE 6 -5.170 -1.150 -3.375 46 HA PHE 6 HA PHE 6 -6.167 1.546 -2.683 47 1HB PHE 6 2HB PHE 6 -3.321 0.550 -2.166 48 2HB PHE 6 3HB PHE 6 -3.972 2.091 -1.669 49 HD1 PHE 6 1HD PHE 6 -4.046 -1.584 -1.077 50 HD2 PHE 6 2HD PHE 6 -5.054 2.288 0.551 51 HE1 PHE 6 1HE PHE 6 -4.506 -2.617 1.098 52 HE2 PHE 6 2HE PHE 6 -5.662 1.205 2.687 53 HZ PHE 6 HZ PHE 6 -5.326 -1.229 3.005 54 H SER 7 H SER 7 -5.532 3.093 -4.202 55 HA SER 7 HA SER 7 -3.931 2.105 -6.518 56 1HB SER 7 2HB SER 7 -5.978 3.323 -7.137 57 2HB SER 7 3HB SER 7 -5.318 4.771 -6.334 58 HG SER 7 HG SER 7 -3.774 3.373 -8.275 59 H VAL 8 H VAL 8 -1.941 3.092 -6.960 60 HA VAL 8 HA VAL 8 -0.657 4.807 -4.908 61 HB VAL 8 HB VAL 8 0.253 2.065 -5.984 62 1HG1 VAL 8 1HG1 VAL 8 2.122 2.371 -4.392 63 2HG1 VAL 8 2HG1 VAL 8 2.092 3.742 -5.510 64 3HG1 VAL 8 3HG1 VAL 8 1.446 3.943 -3.878 65 1HG2 VAL 8 1HG2 VAL 8 -0.782 2.902 -3.235 66 2HG2 VAL 8 2HG2 VAL 8 -1.436 1.630 -4.290 67 3HG2 VAL 8 3HG2 VAL 8 0.143 1.428 -3.514 68 H ASP 9 H ASP 9 -0.692 6.458 -6.707 69 HA ASP 9 HA ASP 9 -0.072 5.457 -9.301 70 1HB ASP 9 2HB ASP 9 -1.578 7.439 -8.783 71 2HB ASP 9 3HB ASP 9 -0.098 8.403 -8.861 72 H MET 10 H MET 10 1.874 4.511 -9.310 73 HA MET 10 HA MET 10 4.213 5.559 -8.195 74 1HB MET 10 2HB MET 10 3.775 3.366 -10.252 75 2HB MET 10 3HB MET 10 5.329 3.654 -9.466 76 1HG MET 10 2HG MET 10 4.689 2.666 -7.518 77 2HG MET 10 3HG MET 10 3.088 3.369 -7.558 78 1HE MET 10 1HE MET 10 2.410 -0.494 -7.218 79 2HE MET 10 2HE MET 10 3.827 0.361 -6.544 80 3HE MET 10 3HE MET 10 2.209 1.095 -6.453 81 H THR 11 H THR 11 4.153 7.653 -9.055 82 HA THR 11 HA THR 11 4.661 8.272 -11.826 83 HB THR 11 HB THR 11 5.058 10.588 -10.466 84 HG1 THR 11 1HG THR 11 3.293 9.148 -8.758 85 1HG2 THR 11 1HG2 THR 11 2.597 10.939 -10.578 86 2HG2 THR 11 2HG2 THR 11 3.222 10.183 -12.056 87 3HG2 THR 11 3HG2 THR 11 2.366 9.199 -10.852 88 H CYS 12 H CYS 12 6.700 7.206 -9.290 89 HA CYS 12 HA CYS 12 8.762 7.258 -11.356 90 1HB CYS 12 2HB CYS 12 9.579 9.027 -9.878 91 2HB CYS 12 3HB CYS 12 9.298 8.014 -8.438 92 HG CYS 12 HG CYS 12 11.843 8.022 -8.865 93 H GLY 13 H GLY 13 9.721 5.144 -11.345 94 1HA GLY 13 2HA GLY 13 8.279 2.972 -10.442 95 2HA GLY 13 3HA GLY 13 10.026 2.940 -10.742 96 H GLY 14 H GLY 14 10.909 4.683 -8.705 97 1HA GLY 14 2HA GLY 14 11.092 2.889 -6.529 98 2HA GLY 14 3HA GLY 14 11.657 4.576 -6.534 99 H CYS 15 H CYS 15 8.479 4.986 -7.242 100 HA CYS 15 HA CYS 15 7.397 5.619 -4.698 101 1HB CYS 15 2HB CYS 15 6.078 4.710 -7.228 102 2HB CYS 15 3HB CYS 15 5.213 5.146 -5.737 103 HG CYS 15 HG CYS 15 7.424 7.008 -7.267 104 H ALA 16 H ALA 16 7.546 2.601 -6.651 105 HA ALA 16 HA ALA 16 5.982 1.001 -4.895 106 1HB ALA 16 1HB ALA 16 6.432 0.403 -7.273 107 2HB ALA 16 2HB ALA 16 8.149 0.154 -6.881 108 3HB ALA 16 3HB ALA 16 6.916 -0.902 -6.170 109 H GLU 17 H GLU 17 9.556 1.438 -5.134 110 HA GLU 17 HA GLU 17 10.255 -0.230 -2.954 111 1HB GLU 17 2HB GLU 17 11.492 2.304 -4.117 112 2HB GLU 17 3HB GLU 17 11.990 1.715 -2.548 113 1HG GLU 17 2HG GLU 17 12.354 -0.590 -3.719 114 2HG GLU 17 3HG GLU 17 12.365 0.374 -5.210 115 H ALA 18 H ALA 18 9.233 3.211 -2.975 116 HA ALA 18 HA ALA 18 9.758 3.668 -0.217 117 1HB ALA 18 1HB ALA 18 7.639 5.007 -1.961 118 2HB ALA 18 2HB ALA 18 8.293 5.622 -0.432 119 3HB ALA 18 3HB ALA 18 9.349 5.479 -1.854 120 H VAL 19 H VAL 19 6.753 2.747 -1.892 121 HA VAL 19 HA VAL 19 5.153 2.492 0.442 122 HB VAL 19 HB VAL 19 4.909 1.313 -2.351 123 1HG1 VAL 19 1HG1 VAL 19 2.910 1.340 -0.055 124 2HG1 VAL 19 2HG1 VAL 19 2.487 1.067 -1.751 125 3HG1 VAL 19 3HG1 VAL 19 3.536 -0.097 -0.926 126 1HG2 VAL 19 1HG2 VAL 19 3.516 3.642 -0.914 127 2HG2 VAL 19 2HG2 VAL 19 4.814 3.844 -2.100 128 3HG2 VAL 19 3HG2 VAL 19 3.272 3.154 -2.596 129 H SER 20 H SER 20 6.960 -0.043 -1.425 130 HA SER 20 HA SER 20 6.258 -2.231 0.204 131 1HB SER 20 2HB SER 20 8.995 -1.715 -1.083 132 2HB SER 20 3HB SER 20 8.331 -3.282 -0.585 133 HG SER 20 HG SER 20 7.366 -1.558 -2.626 134 H ARG 21 H ARG 21 9.036 0.009 0.576 135 HA ARG 21 HA ARG 21 10.108 -1.179 2.889 136 1HB ARG 21 2HB ARG 21 10.308 1.620 1.724 137 2HB ARG 21 3HB ARG 21 11.292 1.050 3.088 138 1HG ARG 21 2HG ARG 21 12.302 -0.694 1.777 139 2HG ARG 21 3HG ARG 21 11.146 -0.535 0.484 140 1HD ARG 21 2HD ARG 21 13.125 0.329 -0.340 141 2HD ARG 21 3HD ARG 21 12.033 1.702 -0.111 142 HE ARG 21 HE ARG 21 13.438 1.686 2.223 143 1HH1 ARG 21 2HH2 ARG 21 14.581 1.558 -1.195 144 2HH1 ARG 21 1HH2 ARG 21 15.944 2.551 -0.895 145 1HH2 ARG 21 2HH1 ARG 21 15.344 2.936 2.592 146 2HH2 ARG 21 1HH1 ARG 21 16.424 3.291 1.284 147 H VAL 22 H VAL 22 7.796 1.690 2.669 148 HA VAL 22 HA VAL 22 7.607 1.886 5.441 149 HB VAL 22 HB VAL 22 6.833 3.489 3.517 150 1HG1 VAL 22 1HG1 VAL 22 4.440 3.652 3.239 151 2HG1 VAL 22 2HG1 VAL 22 4.928 2.056 2.697 152 3HG1 VAL 22 3HG1 VAL 22 4.163 2.247 4.290 153 1HG2 VAL 22 1HG2 VAL 22 5.425 3.154 6.165 154 2HG2 VAL 22 2HG2 VAL 22 6.939 4.052 5.842 155 3HG2 VAL 22 3HG2 VAL 22 5.390 4.633 5.173 156 H LEU 23 H LEU 23 5.567 -0.119 3.190 157 HA LEU 23 HA LEU 23 3.856 -0.991 5.262 158 1HB LEU 23 2HB LEU 23 4.553 -2.067 2.520 159 2HB LEU 23 3HB LEU 23 3.699 -3.096 3.646 160 HG LEU 23 HG LEU 23 2.103 -2.162 2.257 161 1HD1 LEU 23 1HD1 LEU 23 1.784 -0.658 4.893 162 2HD1 LEU 23 2HD1 LEU 23 0.527 -1.224 3.802 163 3HD1 LEU 23 3HD1 LEU 23 1.507 -2.404 4.694 164 1HD2 LEU 23 1HD2 LEU 23 1.658 0.225 2.077 165 2HD2 LEU 23 2HD2 LEU 23 3.061 0.564 3.123 166 3HD2 LEU 23 3HD2 LEU 23 3.286 -0.225 1.538 167 H ASN 24 H ASN 24 6.893 -2.564 4.014 168 HA ASN 24 HA ASN 24 6.820 -4.758 5.791 169 1HB ASN 24 2HB ASN 24 9.063 -3.193 4.452 170 2HB ASN 24 3HB ASN 24 9.364 -4.535 5.540 171 1HD2 ASN 24 1HD2 ASN 24 8.369 -3.700 2.328 172 2HD2 ASN 24 2HD2 ASN 24 8.206 -5.365 1.751 173 H LYS 25 H LYS 25 8.117 -1.445 6.226 174 HA LYS 25 HA LYS 25 9.182 -1.808 8.826 175 1HB LYS 25 2HB LYS 25 8.117 0.588 7.290 176 2HB LYS 25 3HB LYS 25 8.530 0.750 8.986 177 1HG LYS 25 2HG LYS 25 10.418 -0.218 6.792 178 2HG LYS 25 3HG LYS 25 10.328 1.423 7.442 179 1HD LYS 25 2HD LYS 25 10.751 0.220 9.791 180 2HD LYS 25 3HD LYS 25 11.275 -1.136 8.788 181 1HE LYS 25 2HE LYS 25 13.261 0.006 9.251 182 2HE LYS 25 3HE LYS 25 12.849 0.455 7.587 183 1HZ LYS 25 1HZ LYS 25 12.353 2.081 10.006 184 2HZ LYS 25 2HZ LYS 25 13.541 2.345 8.904 185 3HZ LYS 25 3HZ LYS 25 11.965 2.533 8.472 186 H LEU 26 H LEU 26 5.837 -1.069 7.839 187 HA LEU 26 HA LEU 26 4.776 -0.591 10.363 188 1HB LEU 26 2HB LEU 26 3.591 -0.623 8.122 189 2HB LEU 26 3HB LEU 26 3.395 -2.351 8.273 190 HG LEU 26 HG LEU 26 1.486 -0.722 8.911 191 1HD1 LEU 26 1HD1 LEU 26 0.523 -2.329 10.432 192 2HD1 LEU 26 2HD1 LEU 26 1.377 -3.172 9.129 193 3HD1 LEU 26 3HD1 LEU 26 2.109 -3.059 10.743 194 1HD2 LEU 26 1HD2 LEU 26 2.802 -0.846 11.654 195 2HD2 LEU 26 2HD2 LEU 26 2.844 0.588 10.612 196 3HD2 LEU 26 3HD2 LEU 26 1.299 -0.042 11.199 197 H GLY 27 H GLY 27 5.499 -3.749 8.842 198 1HA GLY 27 2HA GLY 27 6.440 -5.054 10.935 199 2HA GLY 27 3HA GLY 27 4.717 -5.080 11.359 200 H GLY 28 H GLY 28 3.228 -6.438 10.223 201 1HA GLY 28 2HA GLY 28 4.633 -8.765 8.923 202 2HA GLY 28 3HA GLY 28 3.471 -8.874 10.252 203 H VAL 29 H VAL 29 3.761 -7.289 7.074 204 HA VAL 29 HA VAL 29 0.847 -7.729 6.615 205 HB VAL 29 HB VAL 29 1.319 -5.445 7.105 206 1HG1 VAL 29 1HG1 VAL 29 2.821 -4.052 5.755 207 2HG1 VAL 29 2HG1 VAL 29 3.695 -5.240 6.726 208 3HG1 VAL 29 3HG1 VAL 29 3.503 -5.491 4.987 209 1HG2 VAL 29 1HG2 VAL 29 0.439 -4.394 5.142 210 2HG2 VAL 29 2HG2 VAL 29 1.022 -5.699 4.096 211 3HG2 VAL 29 3HG2 VAL 29 -0.269 -6.009 5.288 212 H LYS 30 H LYS 30 0.455 -9.235 5.013 213 HA LYS 30 HA LYS 30 2.378 -9.392 2.841 214 1HB LYS 30 2HB LYS 30 0.866 -11.325 3.796 215 2HB LYS 30 3HB LYS 30 -0.211 -10.778 2.503 216 1HG LYS 30 2HG LYS 30 2.649 -11.777 2.320 217 2HG LYS 30 3HG LYS 30 1.203 -12.482 1.583 218 1HD LYS 30 2HD LYS 30 1.056 -10.455 0.045 219 2HD LYS 30 3HD LYS 30 2.500 -9.804 0.816 220 1HE LYS 30 2HE LYS 30 3.353 -10.584 -1.065 221 2HE LYS 30 3HE LYS 30 3.826 -11.748 0.172 222 1HZ LYS 30 1HZ LYS 30 1.993 -13.164 -0.638 223 2HZ LYS 30 2HZ LYS 30 1.614 -12.038 -1.783 224 3HZ LYS 30 3HZ LYS 30 3.053 -12.824 -1.854 225 H TYR 31 H TYR 31 2.404 -7.596 1.769 226 HA TYR 31 HA TYR 31 0.023 -6.379 0.463 227 1HB TYR 31 2HB TYR 31 1.754 -4.759 -0.422 228 2HB TYR 31 3HB TYR 31 1.497 -4.736 1.317 229 HD1 TYR 31 HD1 TYR 31 3.221 -5.244 2.843 230 HD2 TYR 31 HD2 TYR 31 3.822 -6.056 -1.327 231 HE1 TYR 31 HE1 TYR 31 5.505 -6.062 3.345 232 HE2 TYR 31 HE2 TYR 31 6.123 -6.838 -0.847 233 HH TYR 31 HH TYR 31 7.407 -7.066 2.487 234 H ASP 32 H ASP 32 -0.026 -6.191 -1.847 235 HA ASP 32 HA ASP 32 2.106 -7.482 -3.374 236 1HB ASP 32 2HB ASP 32 -0.005 -8.995 -3.341 237 2HB ASP 32 3HB ASP 32 -0.787 -7.723 -4.294 238 H ILE 33 H ILE 33 2.184 -6.413 -5.516 239 HA ILE 33 HA ILE 33 1.494 -3.495 -5.298 240 HB ILE 33 HB ILE 33 4.287 -4.676 -5.409 241 1HG1 ILE 33 2HG1 ILE 33 3.548 -2.674 -3.283 242 2HG1 ILE 33 3HG1 ILE 33 2.929 -4.309 -3.056 243 1HG2 ILE 33 1HG2 ILE 33 4.160 -2.650 -6.810 244 2HG2 ILE 33 2HG2 ILE 33 3.385 -1.771 -5.473 245 3HG2 ILE 33 3HG2 ILE 33 5.070 -2.306 -5.339 246 1HD1 ILE 33 1HD1 ILE 33 5.839 -3.707 -3.636 247 2HD1 ILE 33 2HD1 ILE 33 5.151 -3.927 -2.012 248 3HD1 ILE 33 3HD1 ILE 33 5.132 -5.270 -3.179 249 H ASP 34 H ASP 34 0.510 -3.152 -7.226 250 HA ASP 34 HA ASP 34 1.489 -4.580 -9.647 251 1HB ASP 34 2HB ASP 34 -0.855 -4.938 -9.039 252 2HB ASP 34 3HB ASP 34 -1.150 -3.189 -9.147 253 H LEU 35 H LEU 35 2.822 -3.452 -10.834 254 HA LEU 35 HA LEU 35 3.117 -0.577 -10.728 255 1HB LEU 35 2HB LEU 35 4.439 -2.835 -12.221 256 2HB LEU 35 3HB LEU 35 4.714 -1.178 -12.737 257 HG LEU 35 HG LEU 35 6.428 -2.219 -11.200 258 1HD1 LEU 35 1HD1 LEU 35 6.856 -0.120 -9.970 259 2HD1 LEU 35 2HD1 LEU 35 6.434 0.160 -11.666 260 3HD1 LEU 35 3HD1 LEU 35 5.236 0.459 -10.398 261 1HD2 LEU 35 1HD2 LEU 35 4.416 -1.609 -9.002 262 2HD2 LEU 35 2HD2 LEU 35 4.888 -3.239 -9.543 263 3HD2 LEU 35 3HD2 LEU 35 6.085 -2.161 -8.804 264 HA PRO 36 HA PRO 36 1.631 -0.628 -15.237 265 1HB PRO 36 2HB PRO 36 -0.211 -2.508 -16.109 266 2HB PRO 36 3HB PRO 36 1.560 -2.619 -16.313 267 1HG PRO 36 2HG PRO 36 -0.137 -3.872 -14.148 268 2HG PRO 36 3HG PRO 36 1.151 -4.643 -15.116 269 1HD PRO 36 2HD PRO 36 1.622 -3.768 -12.651 270 2HD PRO 36 3HD PRO 36 2.852 -3.484 -13.913 271 H ASN 37 H ASN 37 -0.793 -1.860 -12.852 272 HA ASN 37 HA ASN 37 -2.822 0.062 -13.777 273 1HB ASN 37 2HB ASN 37 -2.721 -1.614 -11.230 274 2HB ASN 37 3HB ASN 37 -4.053 -0.600 -11.776 275 1HD2 ASN 37 1HD2 ASN 37 -2.122 -3.459 -12.689 276 2HD2 ASN 37 2HD2 ASN 37 -3.392 -4.218 -13.650 277 H LYS 38 H LYS 38 -0.468 -0.283 -11.062 278 HA LYS 38 HA LYS 38 0.607 1.212 -9.861 279 1HB LYS 38 2HB LYS 38 -1.156 3.507 -10.774 280 2HB LYS 38 3HB LYS 38 0.229 3.466 -9.770 281 1HG LYS 38 2HG LYS 38 1.205 4.326 -11.599 282 2HG LYS 38 3HG LYS 38 1.705 2.640 -11.525 283 1HD LYS 38 2HD LYS 38 1.367 3.109 -13.780 284 2HD LYS 38 3HD LYS 38 -0.009 2.149 -13.328 285 1HE LYS 38 2HE LYS 38 0.128 5.166 -13.826 286 2HE LYS 38 3HE LYS 38 -0.751 3.940 -14.760 287 1HZ LYS 38 1HZ LYS 38 -2.053 3.608 -12.630 288 2HZ LYS 38 2HZ LYS 38 -1.389 5.054 -12.127 289 3HZ LYS 38 3HZ LYS 38 -2.325 5.029 -13.451 290 H LYS 39 H LYS 39 -0.547 -0.474 -8.694 291 HA LYS 39 HA LYS 39 -2.389 0.670 -6.706 292 1HB LYS 39 2HB LYS 39 -2.899 -1.922 -8.250 293 2HB LYS 39 3HB LYS 39 -3.762 -1.421 -6.793 294 1HG LYS 39 2HG LYS 39 -4.711 0.519 -7.980 295 2HG LYS 39 3HG LYS 39 -3.790 0.098 -9.427 296 1HD LYS 39 2HD LYS 39 -6.044 -0.684 -9.723 297 2HD LYS 39 3HD LYS 39 -4.984 -2.092 -9.544 298 1HE LYS 39 2HE LYS 39 -5.710 -2.343 -7.161 299 2HE LYS 39 3HE LYS 39 -6.696 -0.881 -7.302 300 1HZ LYS 39 1HZ LYS 39 -8.041 -2.073 -8.932 301 2HZ LYS 39 2HZ LYS 39 -7.108 -3.427 -8.733 302 3HZ LYS 39 3HZ LYS 39 -7.982 -2.844 -7.491 303 H VAL 40 H VAL 40 -2.529 -0.655 -4.739 304 HA VAL 40 HA VAL 40 -0.648 -2.871 -4.539 305 HB VAL 40 HB VAL 40 -1.081 -0.408 -2.820 306 1HG1 VAL 40 1HG1 VAL 40 -0.386 -3.110 -1.668 307 2HG1 VAL 40 2HG1 VAL 40 -0.153 -1.538 -0.855 308 3HG1 VAL 40 3HG1 VAL 40 -1.783 -2.042 -1.331 309 1HG2 VAL 40 1HG2 VAL 40 1.325 -2.160 -3.432 310 2HG2 VAL 40 2HG2 VAL 40 0.883 -0.667 -4.298 311 3HG2 VAL 40 3HG2 VAL 40 1.356 -0.608 -2.581 312 H CYS 41 H CYS 41 -1.546 -4.542 -3.275 313 HA CYS 41 HA CYS 41 -4.335 -4.184 -2.307 314 1HB CYS 41 2HB CYS 41 -3.302 -6.701 -3.701 315 2HB CYS 41 3HB CYS 41 -4.881 -6.471 -2.911 316 HG CYS 41 HG CYS 41 -5.562 -4.407 -4.443 317 H ILE 42 H ILE 42 -4.587 -5.206 -0.227 318 HA ILE 42 HA ILE 42 -2.163 -6.583 0.827 319 HB ILE 42 HB ILE 42 -3.594 -4.431 2.368 320 1HG1 ILE 42 2HG1 ILE 42 -0.921 -4.242 0.882 321 2HG1 ILE 42 3HG1 ILE 42 -2.393 -3.366 0.464 322 1HG2 ILE 42 1HG2 ILE 42 -0.965 -5.866 2.840 323 2HG2 ILE 42 2HG2 ILE 42 -1.730 -4.692 3.929 324 3HG2 ILE 42 3HG2 ILE 42 -2.486 -6.250 3.667 325 1HD1 ILE 42 1HD1 ILE 42 -2.314 -2.194 2.659 326 2HD1 ILE 42 2HD1 ILE 42 -0.738 -2.970 2.964 327 3HD1 ILE 42 3HD1 ILE 42 -0.932 -1.861 1.600 328 H GLU 43 H GLU 43 -2.648 -8.355 1.749 329 HA GLU 43 HA GLU 43 -5.368 -8.844 2.877 330 1HB GLU 43 2HB GLU 43 -4.776 -10.005 0.604 331 2HB GLU 43 3HB GLU 43 -3.765 -11.067 1.575 332 1HG GLU 43 2HG GLU 43 -6.754 -10.563 2.066 333 2HG GLU 43 3HG GLU 43 -6.100 -11.904 1.125 334 H SER 44 H SER 44 -4.558 -8.370 5.044 335 HA SER 44 HA SER 44 -3.011 -10.450 6.189 336 1HB SER 44 2HB SER 44 -1.444 -8.260 5.224 337 2HB SER 44 3HB SER 44 -1.498 -8.091 6.983 338 HG SER 44 HG SER 44 -0.904 -10.401 7.051 339 H GLU 45 H GLU 45 -2.503 -10.011 8.456 340 HA GLU 45 HA GLU 45 -4.943 -9.434 9.815 341 1HB GLU 45 2HB GLU 45 -2.237 -10.178 11.025 342 2HB GLU 45 3HB GLU 45 -3.855 -10.558 11.614 343 1HG GLU 45 2HG GLU 45 -3.339 -12.589 10.705 344 2HG GLU 45 3HG GLU 45 -3.964 -11.864 9.226 345 H HIS 46 H HIS 46 -4.167 -6.972 8.831 346 HA HIS 46 HA HIS 46 -3.417 -5.438 11.282 347 1HB HIS 46 2HB HIS 46 -2.203 -5.185 8.510 348 2HB HIS 46 3HB HIS 46 -2.211 -3.853 9.668 349 HD1 HIS 46 1HD HIS 46 -0.909 -4.466 12.119 350 HD2 HIS 46 2HD HIS 46 -0.006 -6.585 8.607 351 HE1 HIS 46 1HE HIS 46 1.464 -5.354 12.396 352 H SER 47 H SER 47 -4.771 -3.733 11.590 353 HA SER 47 HA SER 47 -7.191 -3.574 10.107 354 1HB SER 47 2HB SER 47 -6.915 -2.831 12.488 355 2HB SER 47 3HB SER 47 -6.021 -1.419 11.887 356 HG SER 47 HG SER 47 -8.728 -2.108 11.436 357 H MET 48 H MET 48 -7.772 -2.547 8.345 358 HA MET 48 HA MET 48 -6.359 -1.507 6.365 359 1HB MET 48 2HB MET 48 -8.834 -1.966 6.536 360 2HB MET 48 3HB MET 48 -9.024 -0.423 7.383 361 1HG MET 48 2HG MET 48 -8.071 0.722 5.357 362 2HG MET 48 3HG MET 48 -7.918 -0.869 4.596 363 1HE MET 48 1HE MET 48 -11.954 1.230 5.452 364 2HE MET 48 2HE MET 48 -11.007 0.518 6.772 365 3HE MET 48 3HE MET 48 -10.365 1.915 5.867 366 H ASP 49 H ASP 49 -7.686 0.529 9.075 367 HA ASP 49 HA ASP 49 -6.309 2.753 7.859 368 1HB ASP 49 2HB ASP 49 -8.517 3.155 8.851 369 2HB ASP 49 3HB ASP 49 -7.729 3.115 10.445 370 H THR 50 H THR 50 -5.289 0.419 10.147 371 HA THR 50 HA THR 50 -3.226 2.103 11.360 372 HB THR 50 HB THR 50 -3.304 -0.929 11.042 373 HG1 THR 50 1HG THR 50 -3.917 -0.626 13.344 374 1HG2 THR 50 1HG2 THR 50 -1.709 -0.885 12.936 375 2HG2 THR 50 2HG2 THR 50 -1.041 -0.065 11.520 376 3HG2 THR 50 3HG2 THR 50 -1.680 0.891 12.875 377 H LEU 51 H LEU 51 -3.519 -0.185 8.611 378 HA LEU 51 HA LEU 51 -0.864 0.167 7.596 379 1HB LEU 51 2HB LEU 51 -3.408 -0.367 6.007 380 2HB LEU 51 3HB LEU 51 -1.748 -0.538 5.425 381 HG LEU 51 HG LEU 51 -2.921 -2.097 7.800 382 1HD1 LEU 51 1HD1 LEU 51 -3.105 -4.000 6.211 383 2HD1 LEU 51 2HD1 LEU 51 -4.190 -2.659 5.814 384 3HD1 LEU 51 3HD1 LEU 51 -2.699 -2.887 4.883 385 1HD2 LEU 51 1HD2 LEU 51 -0.380 -2.397 6.145 386 2HD2 LEU 51 2HD2 LEU 51 -0.491 -2.041 7.880 387 3HD2 LEU 51 3HD2 LEU 51 -0.963 -3.631 7.274 388 H LEU 52 H LEU 52 -3.953 1.826 6.627 389 HA LEU 52 HA LEU 52 -2.779 3.673 4.900 390 1HB LEU 52 2HB LEU 52 -5.196 3.886 6.619 391 2HB LEU 52 3HB LEU 52 -4.692 5.157 5.551 392 HG LEU 52 HG LEU 52 -5.154 2.343 4.557 393 1HD1 LEU 52 1HD1 LEU 52 -7.130 4.666 4.644 394 2HD1 LEU 52 2HD1 LEU 52 -7.401 3.098 3.855 395 3HD1 LEU 52 3HD1 LEU 52 -7.230 3.182 5.613 396 1HD2 LEU 52 1HD2 LEU 52 -4.983 5.105 3.229 397 2HD2 LEU 52 2HD2 LEU 52 -3.863 3.745 2.992 398 3HD2 LEU 52 3HD2 LEU 52 -5.514 3.651 2.387 399 H ALA 53 H ALA 53 -3.524 4.246 8.404 400 HA ALA 53 HA ALA 53 -2.416 6.806 8.596 401 1HB ALA 53 1HB ALA 53 -2.207 6.358 11.014 402 2HB ALA 53 2HB ALA 53 -3.758 5.759 10.396 403 3HB ALA 53 3HB ALA 53 -2.428 4.621 10.721 404 H THR 54 H THR 54 -0.701 3.705 8.761 405 HA THR 54 HA THR 54 1.878 4.919 9.215 406 HB THR 54 HB THR 54 1.175 2.269 7.863 407 HG1 THR 54 1HG THR 54 0.324 2.337 9.893 408 1HG2 THR 54 1HG2 THR 54 3.457 2.953 7.394 409 2HG2 THR 54 2HG2 THR 54 3.741 3.306 9.118 410 3HG2 THR 54 3HG2 THR 54 3.447 1.641 8.576 411 H LEU 55 H LEU 55 0.527 3.517 6.169 412 HA LEU 55 HA LEU 55 2.772 4.376 4.680 413 1HB LEU 55 2HB LEU 55 1.739 3.305 2.858 414 2HB LEU 55 3HB LEU 55 1.450 2.395 4.302 415 HG LEU 55 HG LEU 55 -0.791 3.589 4.431 416 1HD1 LEU 55 1HD1 LEU 55 0.332 4.606 1.977 417 2HD1 LEU 55 2HD1 LEU 55 -1.243 3.814 1.679 418 3HD1 LEU 55 3HD1 LEU 55 -1.120 5.139 2.854 419 1HD2 LEU 55 1HD2 LEU 55 -0.250 1.583 2.209 420 2HD2 LEU 55 2HD2 LEU 55 -0.460 1.178 3.926 421 3HD2 LEU 55 3HD2 LEU 55 -1.818 1.853 3.005 422 H LYS 56 H LYS 56 -0.324 5.791 5.093 423 HA LYS 56 HA LYS 56 -0.584 7.923 3.419 424 1HB LYS 56 2HB LYS 56 -0.904 7.744 6.440 425 2HB LYS 56 3HB LYS 56 -1.123 9.289 5.665 426 1HG LYS 56 2HG LYS 56 -2.941 8.413 4.249 427 2HG LYS 56 3HG LYS 56 -2.831 6.857 5.052 428 1HD LYS 56 2HD LYS 56 -3.053 8.393 7.274 429 2HD LYS 56 3HD LYS 56 -3.658 9.560 6.130 430 1HE LYS 56 2HE LYS 56 -5.708 8.711 6.515 431 2HE LYS 56 3HE LYS 56 -5.235 7.381 5.470 432 1HZ LYS 56 1HZ LYS 56 -4.505 6.253 7.601 433 2HZ LYS 56 2HZ LYS 56 -5.220 7.458 8.443 434 3HZ LYS 56 3HZ LYS 56 -6.097 6.467 7.506 435 H LYS 57 H LYS 57 1.751 7.662 6.115 436 HA LYS 57 HA LYS 57 2.649 10.359 6.048 437 1HB LYS 57 2HB LYS 57 3.912 7.849 7.164 438 2HB LYS 57 3HB LYS 57 4.495 9.502 7.463 439 1HG LYS 57 2HG LYS 57 2.282 10.075 8.439 440 2HG LYS 57 3HG LYS 57 1.706 8.447 8.062 441 1HD LYS 57 2HD LYS 57 2.188 8.492 10.373 442 2HD LYS 57 3HD LYS 57 3.322 7.413 9.548 443 1HE LYS 57 2HE LYS 57 5.096 9.142 9.652 444 2HE LYS 57 3HE LYS 57 3.952 10.309 10.340 445 1HZ LYS 57 1HZ LYS 57 3.775 8.896 12.272 446 2HZ LYS 57 2HZ LYS 57 4.826 7.806 11.627 447 3HZ LYS 57 3HZ LYS 57 5.341 9.319 12.011 448 H THR 58 H THR 58 3.364 7.796 3.793 449 HA THR 58 HA THR 58 5.974 8.671 2.975 450 HB THR 58 HB THR 58 5.449 7.649 0.817 451 HG1 THR 58 1HG THR 58 2.897 7.030 1.862 452 1HG2 THR 58 1HG2 THR 58 6.261 6.222 2.585 453 2HG2 THR 58 2HG2 THR 58 4.623 5.986 3.212 454 3HG2 THR 58 3HG2 THR 58 5.058 5.356 1.604 455 H GLY 59 H GLY 59 2.673 9.838 2.405 456 1HA GLY 59 2HA GLY 59 1.842 11.718 1.503 457 2HA GLY 59 3HA GLY 59 3.474 12.410 1.493 458 H LYS 60 H LYS 60 2.557 9.415 -0.244 459 HA LYS 60 HA LYS 60 3.088 10.719 -2.870 460 1HB LYS 60 2HB LYS 60 3.137 7.901 -1.751 461 2HB LYS 60 3HB LYS 60 2.959 8.143 -3.482 462 1HG LYS 60 2HG LYS 60 5.312 7.797 -2.703 463 2HG LYS 60 3HG LYS 60 5.033 9.239 -3.705 464 1HD LYS 60 2HD LYS 60 5.107 10.704 -1.811 465 2HD LYS 60 3HD LYS 60 5.063 9.313 -0.701 466 1HE LYS 60 2HE LYS 60 7.325 8.706 -1.287 467 2HE LYS 60 3HE LYS 60 7.383 9.942 -2.561 468 1HZ LYS 60 1HZ LYS 60 6.896 10.593 0.279 469 2HZ LYS 60 2HZ LYS 60 8.411 10.605 -0.396 470 3HZ LYS 60 3HZ LYS 60 7.241 11.634 -0.930 471 H THR 61 H THR 61 1.724 9.465 -4.674 472 HA THR 61 HA THR 61 -1.004 10.317 -4.441 473 HB THR 61 HB THR 61 -0.809 9.112 -6.748 474 HG1 THR 61 1HG THR 61 1.320 8.619 -7.334 475 1HG2 THR 61 1HG2 THR 61 0.929 11.549 -6.133 476 2HG2 THR 61 2HG2 THR 61 0.381 11.062 -7.749 477 3HG2 THR 61 3HG2 THR 61 -0.804 11.574 -6.532 478 H VAL 62 H VAL 62 -0.901 8.663 -2.459 479 HA VAL 62 HA VAL 62 -1.898 6.013 -3.389 480 HB VAL 62 HB VAL 62 0.121 5.627 -2.296 481 1HG1 VAL 62 1HG1 VAL 62 -0.868 7.325 0.030 482 2HG1 VAL 62 2HG1 VAL 62 0.579 6.296 0.054 483 3HG1 VAL 62 3HG1 VAL 62 0.500 7.668 -1.052 484 1HG2 VAL 62 1HG2 VAL 62 -1.874 4.158 -1.735 485 2HG2 VAL 62 2HG2 VAL 62 -0.533 4.115 -0.576 486 3HG2 VAL 62 3HG2 VAL 62 -2.007 5.042 -0.208 487 H SER 63 H SER 63 -3.886 5.297 -2.773 488 HA SER 63 HA SER 63 -5.097 6.238 -0.352 489 1HB SER 63 2HB SER 63 -5.710 8.161 -1.841 490 2HB SER 63 3HB SER 63 -6.548 7.018 -2.917 491 HG SER 63 HG SER 63 -7.945 7.988 -1.337 492 H TYR 64 H TYR 64 -7.461 5.343 -0.372 493 HA TYR 64 HA TYR 64 -7.142 2.411 -0.847 494 1HB TYR 64 2HB TYR 64 -7.397 2.911 1.443 495 2HB TYR 64 3HB TYR 64 -8.671 4.087 1.145 496 HD1 TYR 64 HD1 TYR 64 -10.961 3.448 1.086 497 HD2 TYR 64 HD2 TYR 64 -7.899 0.413 0.988 498 HE1 TYR 64 HE1 TYR 64 -12.684 1.703 1.378 499 HE2 TYR 64 HE2 TYR 64 -9.628 -1.327 1.343 500 HH TYR 64 HH TYR 64 -13.096 -0.541 1.697 501 H LEU 65 H LEU 65 -8.512 1.327 -2.196 502 HA LEU 65 HA LEU 65 -11.229 2.280 -2.632 503 1HB LEU 65 2HB LEU 65 -10.859 1.935 -5.177 504 2HB LEU 65 3HB LEU 65 -10.640 3.489 -4.396 505 HG LEU 65 HG LEU 65 -9.010 2.972 -6.093 506 1HD1 LEU 65 1HD1 LEU 65 -7.432 3.291 -3.627 507 2HD1 LEU 65 2HD1 LEU 65 -7.250 4.058 -5.203 508 3HD1 LEU 65 3HD1 LEU 65 -8.585 4.536 -4.154 509 1HD2 LEU 65 1HD2 LEU 65 -7.864 0.817 -4.338 510 2HD2 LEU 65 2HD2 LEU 65 -8.718 0.595 -5.880 511 3HD2 LEU 65 3HD2 LEU 65 -7.178 1.440 -5.855 512 H GLY 66 H GLY 66 -11.334 0.188 -1.315 513 1HA GLY 66 2HA GLY 66 -13.133 -1.302 -2.130 514 2HA GLY 66 3HA GLY 66 -12.020 -1.901 -3.368 515 H LEU 67 H LEU 67 -13.141 -3.774 -1.758 516 HA LEU 67 HA LEU 67 -10.842 -4.843 -0.429 517 1HB LEU 67 2HB LEU 67 -11.817 -5.264 1.706 518 2HB LEU 67 3HB LEU 67 -11.943 -3.537 1.418 519 HG LEU 67 HG LEU 67 -14.188 -5.604 1.180 520 1HD1 LEU 67 1HD1 LEU 67 -13.646 -3.441 3.253 521 2HD1 LEU 67 2HD1 LEU 67 -15.041 -4.542 3.226 522 3HD1 LEU 67 3HD1 LEU 67 -13.411 -5.187 3.482 523 1HD2 LEU 67 1HD2 LEU 67 -14.752 -3.794 -0.344 524 2HD2 LEU 67 2HD2 LEU 67 -15.695 -3.579 1.127 525 3HD2 LEU 67 3HD2 LEU 67 -14.261 -2.570 0.852 526 H GLU 68 H GLU 68 -11.120 -7.164 -0.069 527 HA GLU 68 HA GLU 68 -13.392 -8.502 -1.342 528 1HB GLU 68 2HB GLU 68 -11.839 -7.649 -3.186 529 2HB GLU 68 3HB GLU 68 -10.592 -8.708 -2.527 530 1HG GLU 68 2HG GLU 68 -12.011 -10.677 -2.970 531 2HG GLU 68 3HG GLU 68 -13.283 -9.618 -3.613 Start of MODEL 26 1 1H MET 1 H1 MET 1 -6.509 -9.171 8.017 2 2H MET 1 H2 MET 1 -7.421 -9.303 9.417 3 3H MET 1 H3 MET 1 -7.337 -10.532 8.398 4 HA MET 1 HA MET 1 -9.421 -9.256 8.170 5 1HB MET 1 2HB MET 1 -7.400 -7.041 7.552 6 2HB MET 1 3HB MET 1 -9.098 -6.864 7.150 7 1HG MET 1 2HG MET 1 -8.954 -5.836 9.244 8 2HG MET 1 3HG MET 1 -9.552 -7.447 9.636 9 1HE MET 1 1HE MET 1 -8.846 -8.140 11.906 10 2HE MET 1 2HE MET 1 -7.463 -7.417 12.752 11 3HE MET 1 3HE MET 1 -8.773 -6.373 12.144 12 HA PRO 2 HA PRO 2 -9.603 -10.422 3.858 13 1HB PRO 2 2HB PRO 2 -10.973 -8.220 2.699 14 2HB PRO 2 3HB PRO 2 -11.706 -9.657 3.458 15 1HG PRO 2 2HG PRO 2 -11.084 -6.952 4.675 16 2HG PRO 2 3HG PRO 2 -12.593 -7.908 4.829 17 1HD PRO 2 2HD PRO 2 -10.860 -7.979 6.817 18 2HD PRO 2 3HD PRO 2 -11.477 -9.529 6.220 19 H LYS 3 H LYS 3 -9.350 -9.346 1.524 20 HA LYS 3 HA LYS 3 -6.644 -8.128 1.464 21 1HB LYS 3 2HB LYS 3 -6.813 -10.002 0.107 22 2HB LYS 3 3HB LYS 3 -8.433 -9.637 -0.444 23 1HG LYS 3 2HG LYS 3 -6.246 -7.711 -1.229 24 2HG LYS 3 3HG LYS 3 -6.276 -9.321 -1.972 25 1HD LYS 3 2HD LYS 3 -8.621 -9.065 -2.633 26 2HD LYS 3 3HD LYS 3 -8.687 -7.454 -1.902 27 1HE LYS 3 2HE LYS 3 -6.956 -6.669 -3.513 28 2HE LYS 3 3HE LYS 3 -6.931 -8.284 -4.255 29 1HZ LYS 3 1HZ LYS 3 -9.291 -6.540 -4.073 30 2HZ LYS 3 2HZ LYS 3 -8.363 -6.696 -5.396 31 3HZ LYS 3 3HZ LYS 3 -9.282 -7.988 -4.793 32 H HIS 4 H HIS 4 -6.397 -5.983 0.975 33 HA HIS 4 HA HIS 4 -8.863 -4.366 0.532 34 1HB HIS 4 2HB HIS 4 -6.275 -3.432 1.767 35 2HB HIS 4 3HB HIS 4 -7.854 -2.678 1.848 36 HD1 HIS 4 1HD HIS 4 -5.694 -5.343 3.429 37 HD2 HIS 4 2HD HIS 4 -9.616 -3.854 3.662 38 HE1 HIS 4 1HE HIS 4 -6.584 -6.001 5.734 39 H GLU 5 H GLU 5 -8.804 -2.724 -1.051 40 HA GLU 5 HA GLU 5 -6.569 -2.894 -3.046 41 1HB GLU 5 2HB GLU 5 -9.513 -2.177 -3.169 42 2HB GLU 5 3HB GLU 5 -8.389 -1.792 -4.460 43 1HG GLU 5 2HG GLU 5 -8.401 -4.620 -3.542 44 2HG GLU 5 3HG GLU 5 -9.864 -4.034 -4.356 45 H PHE 6 H PHE 6 -5.525 -0.999 -3.668 46 HA PHE 6 HA PHE 6 -6.607 1.589 -2.755 47 1HB PHE 6 2HB PHE 6 -3.691 0.715 -2.514 48 2HB PHE 6 3HB PHE 6 -4.325 2.239 -1.952 49 HD1 PHE 6 1HD PHE 6 -4.869 2.423 0.448 50 HD2 PHE 6 2HD PHE 6 -4.418 -1.466 -1.405 51 HE1 PHE 6 1HE PHE 6 -4.920 1.334 2.643 52 HE2 PHE 6 2HE PHE 6 -4.534 -2.520 0.787 53 HZ PHE 6 HZ PHE 6 -4.830 -1.134 2.845 54 H SER 7 H SER 7 -6.326 3.191 -4.297 55 HA SER 7 HA SER 7 -4.882 2.441 -6.817 56 1HB SER 7 2HB SER 7 -7.410 3.031 -6.955 57 2HB SER 7 3HB SER 7 -6.877 4.703 -6.669 58 HG SER 7 HG SER 7 -5.512 4.427 -8.530 59 H VAL 8 H VAL 8 -3.234 3.814 -7.527 60 HA VAL 8 HA VAL 8 -2.319 5.828 -5.561 61 HB VAL 8 HB VAL 8 -0.777 3.456 -6.731 62 1HG1 VAL 8 1HG1 VAL 8 -0.298 5.350 -4.403 63 2HG1 VAL 8 2HG1 VAL 8 0.675 3.898 -4.732 64 3HG1 VAL 8 3HG1 VAL 8 0.614 5.209 -5.912 65 1HG2 VAL 8 1HG2 VAL 8 -1.023 2.453 -4.386 66 2HG2 VAL 8 2HG2 VAL 8 -2.370 3.574 -4.138 67 3HG2 VAL 8 3HG2 VAL 8 -2.440 2.350 -5.420 68 H ASP 9 H ASP 9 -0.479 7.145 -6.441 69 HA ASP 9 HA ASP 9 0.276 6.469 -9.220 70 1HB ASP 9 2HB ASP 9 -0.590 8.743 -9.291 71 2HB ASP 9 3HB ASP 9 0.496 9.234 -7.986 72 H MET 10 H MET 10 1.770 5.006 -8.572 73 HA MET 10 HA MET 10 4.234 6.155 -7.342 74 1HB MET 10 2HB MET 10 2.937 3.417 -7.133 75 2HB MET 10 3HB MET 10 4.658 3.596 -6.835 76 1HG MET 10 2HG MET 10 2.683 5.410 -5.435 77 2HG MET 10 3HG MET 10 2.998 3.779 -4.867 78 1HE MET 10 1HE MET 10 4.662 6.327 -2.322 79 2HE MET 10 2HE MET 10 3.213 6.646 -3.310 80 3HE MET 10 3HE MET 10 3.425 5.066 -2.526 81 H THR 11 H THR 11 3.775 6.876 -9.869 82 HA THR 11 HA THR 11 5.040 4.885 -11.643 83 HB THR 11 HB THR 11 4.246 7.752 -12.253 84 HG1 THR 11 1HG THR 11 2.463 6.866 -11.473 85 1HG2 THR 11 1HG2 THR 11 3.824 6.784 -14.518 86 2HG2 THR 11 2HG2 THR 11 5.530 6.677 -14.076 87 3HG2 THR 11 3HG2 THR 11 4.505 5.236 -13.982 88 H CYS 12 H CYS 12 7.002 5.196 -9.762 89 HA CYS 12 HA CYS 12 9.050 6.338 -11.491 90 1HB CYS 12 2HB CYS 12 8.316 8.367 -10.230 91 2HB CYS 12 3HB CYS 12 8.797 7.569 -8.718 92 HG CYS 12 HG CYS 12 10.591 9.325 -9.542 93 H GLY 13 H GLY 13 9.156 3.894 -11.311 94 1HA GLY 13 2HA GLY 13 10.272 2.003 -10.673 95 2HA GLY 13 3HA GLY 13 11.620 3.135 -10.619 96 H GLY 14 H GLY 14 12.205 4.048 -8.509 97 1HA GLY 14 2HA GLY 14 12.316 2.095 -6.411 98 2HA GLY 14 3HA GLY 14 12.850 3.787 -6.311 99 H CYS 15 H CYS 15 9.945 4.439 -7.253 100 HA CYS 15 HA CYS 15 8.325 4.854 -5.086 101 1HB CYS 15 2HB CYS 15 6.490 4.666 -6.579 102 2HB CYS 15 3HB CYS 15 7.832 5.416 -7.426 103 HG CYS 15 HG CYS 15 6.081 2.984 -8.178 104 H ALA 16 H ALA 16 8.905 1.679 -6.728 105 HA ALA 16 HA ALA 16 7.069 0.188 -5.139 106 1HB ALA 16 1HB ALA 16 8.303 -1.776 -5.991 107 2HB ALA 16 2HB ALA 16 7.984 -0.610 -7.290 108 3HB ALA 16 3HB ALA 16 9.607 -0.719 -6.574 109 H GLU 17 H GLU 17 10.518 1.008 -4.681 110 HA GLU 17 HA GLU 17 10.870 -0.575 -2.280 111 1HB GLU 17 2HB GLU 17 12.406 1.777 -3.475 112 2HB GLU 17 3HB GLU 17 12.636 1.250 -1.827 113 1HG GLU 17 2HG GLU 17 13.074 -1.102 -2.718 114 2HG GLU 17 3HG GLU 17 13.169 -0.350 -4.324 115 H ALA 18 H ALA 18 9.782 2.784 -2.981 116 HA ALA 18 HA ALA 18 9.714 3.645 -0.285 117 1HB ALA 18 1HB ALA 18 7.761 4.493 -2.465 118 2HB ALA 18 2HB ALA 18 8.159 5.363 -0.979 119 3HB ALA 18 3HB ALA 18 9.397 5.150 -2.236 120 H VAL 19 H VAL 19 7.029 2.233 -2.222 121 HA VAL 19 HA VAL 19 5.187 2.073 -0.062 122 HB VAL 19 HB VAL 19 5.366 0.334 -2.553 123 1HG1 VAL 19 1HG1 VAL 19 2.918 -0.033 -2.103 124 2HG1 VAL 19 2HG1 VAL 19 3.937 -0.747 -0.854 125 3HG1 VAL 19 3HG1 VAL 19 3.112 0.798 -0.544 126 1HG2 VAL 19 1HG2 VAL 19 3.636 1.848 -3.433 127 2HG2 VAL 19 2HG2 VAL 19 3.699 2.813 -1.943 128 3HG2 VAL 19 3HG2 VAL 19 5.095 2.763 -3.039 129 H SER 20 H SER 20 7.422 -0.418 -1.408 130 HA SER 20 HA SER 20 6.599 -2.451 0.364 131 1HB SER 20 2HB SER 20 7.963 -2.786 -1.735 132 2HB SER 20 3HB SER 20 9.341 -1.990 -0.956 133 HG SER 20 HG SER 20 9.532 -4.237 -0.836 134 H ARG 21 H ARG 21 9.309 -0.142 0.754 135 HA ARG 21 HA ARG 21 10.174 -1.179 3.230 136 1HB ARG 21 2HB ARG 21 10.552 1.532 1.936 137 2HB ARG 21 3HB ARG 21 11.376 1.007 3.417 138 1HG ARG 21 2HG ARG 21 12.413 -0.878 2.296 139 2HG ARG 21 3HG ARG 21 11.453 -0.657 0.854 140 1HD ARG 21 2HD ARG 21 13.579 0.087 0.319 141 2HD ARG 21 3HD ARG 21 12.544 1.526 0.414 142 HE ARG 21 HE ARG 21 13.619 1.408 2.915 143 1HH1 ARG 21 2HH2 ARG 21 15.176 1.262 -0.325 144 2HH1 ARG 21 1HH2 ARG 21 16.526 2.211 0.150 145 1HH2 ARG 21 2HH1 ARG 21 15.492 2.603 3.537 146 2HH2 ARG 21 1HH1 ARG 21 16.747 2.930 2.384 147 H VAL 22 H VAL 22 7.829 1.630 2.579 148 HA VAL 22 HA VAL 22 7.510 2.073 5.316 149 HB VAL 22 HB VAL 22 6.973 3.584 3.338 150 1HG1 VAL 22 1HG1 VAL 22 4.273 2.232 3.588 151 2HG1 VAL 22 2HG1 VAL 22 4.659 3.629 2.570 152 3HG1 VAL 22 3HG1 VAL 22 5.366 2.060 2.192 153 1HG2 VAL 22 1HG2 VAL 22 5.243 4.751 4.589 154 2HG2 VAL 22 2HG2 VAL 22 4.975 3.303 5.589 155 3HG2 VAL 22 3HG2 VAL 22 6.552 4.151 5.649 156 H LEU 23 H LEU 23 5.679 -0.234 3.130 157 HA LEU 23 HA LEU 23 3.966 -0.989 5.321 158 1HB LEU 23 2HB LEU 23 4.554 -2.214 2.639 159 2HB LEU 23 3HB LEU 23 3.694 -3.095 3.892 160 HG LEU 23 HG LEU 23 2.087 -2.245 2.517 161 1HD1 LEU 23 1HD1 LEU 23 0.618 -1.077 4.014 162 2HD1 LEU 23 2HD1 LEU 23 1.627 -2.128 5.024 163 3HD1 LEU 23 3HD1 LEU 23 1.943 -0.382 4.929 164 1HD2 LEU 23 1HD2 LEU 23 3.308 -0.465 1.489 165 2HD2 LEU 23 2HD2 LEU 23 1.705 0.094 2.028 166 3HD2 LEU 23 3HD2 LEU 23 3.153 0.518 2.965 167 H ASN 24 H ASN 24 7.022 -2.392 4.115 168 HA ASN 24 HA ASN 24 7.255 -4.527 5.947 169 1HB ASN 24 2HB ASN 24 8.806 -4.483 4.199 170 2HB ASN 24 3HB ASN 24 9.196 -2.782 4.453 171 1HD2 ASN 24 1HD2 ASN 24 10.461 -2.110 6.202 172 2HD2 ASN 24 2HD2 ASN 24 11.619 -3.230 6.937 173 H LYS 25 H LYS 25 7.950 -1.035 6.380 174 HA LYS 25 HA LYS 25 8.999 -1.258 9.004 175 1HB LYS 25 2HB LYS 25 7.686 0.914 7.371 176 2HB LYS 25 3HB LYS 25 7.719 1.146 9.100 177 1HG LYS 25 2HG LYS 25 10.097 0.698 7.241 178 2HG LYS 25 3HG LYS 25 9.632 2.209 8.020 179 1HD LYS 25 2HD LYS 25 10.884 -0.253 9.290 180 2HD LYS 25 3HD LYS 25 11.504 1.389 9.214 181 1HE LYS 25 2HE LYS 25 9.714 2.176 10.751 182 2HE LYS 25 3HE LYS 25 9.036 0.542 10.828 183 1HZ LYS 25 1HZ LYS 25 11.037 -0.236 11.817 184 2HZ LYS 25 2HZ LYS 25 11.711 1.270 11.780 185 3HZ LYS 25 3HZ LYS 25 10.381 0.978 12.704 186 H LEU 26 H LEU 26 5.644 -1.342 7.915 187 HA LEU 26 HA LEU 26 4.487 -1.172 10.533 188 1HB LEU 26 2HB LEU 26 3.487 -1.098 8.072 189 2HB LEU 26 3HB LEU 26 3.262 -2.793 8.247 190 HG LEU 26 HG LEU 26 1.334 -1.095 8.793 191 1HD1 LEU 26 1HD1 LEU 26 1.873 -3.526 10.530 192 2HD1 LEU 26 2HD1 LEU 26 0.301 -2.738 10.272 193 3HD1 LEU 26 3HD1 LEU 26 1.125 -3.517 8.914 194 1HD2 LEU 26 1HD2 LEU 26 2.509 -1.332 11.589 195 2HD2 LEU 26 2HD2 LEU 26 2.622 0.138 10.589 196 3HD2 LEU 26 3HD2 LEU 26 1.044 -0.484 11.085 197 H GLY 27 H GLY 27 5.440 -3.807 8.364 198 1HA GLY 27 2HA GLY 27 6.973 -5.401 9.416 199 2HA GLY 27 3HA GLY 27 5.865 -5.461 10.777 200 H GLY 28 H GLY 28 3.937 -6.745 10.627 201 1HA GLY 28 2HA GLY 28 4.520 -9.149 9.095 202 2HA GLY 28 3HA GLY 28 3.263 -8.918 10.316 203 H VAL 29 H VAL 29 3.922 -7.354 7.140 204 HA VAL 29 HA VAL 29 1.033 -7.742 6.460 205 HB VAL 29 HB VAL 29 1.417 -5.490 7.136 206 1HG1 VAL 29 1HG1 VAL 29 3.771 -5.183 6.966 207 2HG1 VAL 29 2HG1 VAL 29 3.748 -5.356 5.208 208 3HG1 VAL 29 3HG1 VAL 29 2.951 -3.975 5.980 209 1HG2 VAL 29 1HG2 VAL 29 0.714 -4.305 5.152 210 2HG2 VAL 29 2HG2 VAL 29 1.236 -5.634 4.110 211 3HG2 VAL 29 3HG2 VAL 29 -0.095 -5.878 5.265 212 H LYS 30 H LYS 30 0.600 -8.824 4.587 213 HA LYS 30 HA LYS 30 2.725 -8.946 2.535 214 1HB LYS 30 2HB LYS 30 1.172 -10.974 3.326 215 2HB LYS 30 3HB LYS 30 0.126 -10.323 2.057 216 1HG LYS 30 2HG LYS 30 3.070 -11.096 1.807 217 2HG LYS 30 3HG LYS 30 1.717 -12.073 1.242 218 1HD LYS 30 2HD LYS 30 1.231 -10.648 -0.579 219 2HD LYS 30 3HD LYS 30 2.037 -9.265 0.133 220 1HE LYS 30 2HE LYS 30 4.245 -10.318 -0.118 221 2HE LYS 30 3HE LYS 30 3.470 -11.666 -0.990 222 1HZ LYS 30 1HZ LYS 30 3.353 -8.807 -1.778 223 2HZ LYS 30 2HZ LYS 30 4.253 -9.947 -2.552 224 3HZ LYS 30 3HZ LYS 30 2.624 -10.006 -2.563 225 H TYR 31 H TYR 31 2.768 -7.245 1.365 226 HA TYR 31 HA TYR 31 0.316 -5.939 0.289 227 1HB TYR 31 2HB TYR 31 1.860 -3.997 -0.099 228 2HB TYR 31 3HB TYR 31 1.542 -4.350 1.595 229 HD1 TYR 31 HD1 TYR 31 3.262 -5.296 3.052 230 HD2 TYR 31 HD2 TYR 31 4.088 -4.606 -1.088 231 HE1 TYR 31 HE1 TYR 31 5.694 -5.533 3.516 232 HE2 TYR 31 HE2 TYR 31 6.511 -4.930 -0.666 233 HH TYR 31 HH TYR 31 8.137 -4.846 1.047 234 H ASP 32 H ASP 32 0.346 -5.522 -1.978 235 HA ASP 32 HA ASP 32 2.714 -6.367 -3.508 236 1HB ASP 32 2HB ASP 32 -0.082 -7.471 -3.717 237 2HB ASP 32 3HB ASP 32 0.776 -7.137 -5.219 238 H ILE 33 H ILE 33 2.987 -5.216 -5.358 239 HA ILE 33 HA ILE 33 1.583 -2.577 -5.433 240 HB ILE 33 HB ILE 33 4.508 -3.178 -6.014 241 1HG1 ILE 33 2HG1 ILE 33 4.555 -1.491 -3.903 242 2HG1 ILE 33 3HG1 ILE 33 3.090 -2.367 -3.479 243 1HG2 ILE 33 1HG2 ILE 33 2.993 -0.550 -5.764 244 2HG2 ILE 33 2HG2 ILE 33 4.735 -0.748 -6.061 245 3HG2 ILE 33 3HG2 ILE 33 3.572 -1.268 -7.285 246 1HD1 ILE 33 1HD1 ILE 33 5.229 -3.283 -2.512 247 2HD1 ILE 33 2HD1 ILE 33 4.363 -4.496 -3.478 248 3HD1 ILE 33 3HD1 ILE 33 5.783 -3.654 -4.148 249 H ASP 34 H ASP 34 0.294 -2.657 -7.201 250 HA ASP 34 HA ASP 34 1.079 -4.156 -9.626 251 1HB ASP 34 2HB ASP 34 -1.268 -4.148 -8.849 252 2HB ASP 34 3HB ASP 34 -1.306 -2.392 -9.058 253 H LEU 35 H LEU 35 2.980 -3.077 -9.999 254 HA LEU 35 HA LEU 35 3.241 -0.259 -10.178 255 1HB LEU 35 2HB LEU 35 5.057 -1.844 -9.636 256 2HB LEU 35 3HB LEU 35 5.007 -2.473 -11.286 257 HG LEU 35 HG LEU 35 5.745 -0.273 -12.159 258 1HD1 LEU 35 1HD1 LEU 35 6.608 1.437 -10.554 259 2HD1 LEU 35 2HD1 LEU 35 4.853 1.277 -10.461 260 3HD1 LEU 35 3HD1 LEU 35 5.881 0.530 -9.213 261 1HD2 LEU 35 1HD2 LEU 35 8.044 -0.369 -11.278 262 2HD2 LEU 35 2HD2 LEU 35 7.496 -1.339 -9.901 263 3HD2 LEU 35 3HD2 LEU 35 7.407 -2.001 -11.547 264 HA PRO 36 HA PRO 36 2.639 -0.694 -14.898 265 1HB PRO 36 2HB PRO 36 0.629 -2.444 -15.704 266 2HB PRO 36 3HB PRO 36 2.389 -2.673 -15.893 267 1HG PRO 36 2HG PRO 36 0.571 -3.822 -13.817 268 2HG PRO 36 3HG PRO 36 1.971 -4.584 -14.603 269 1HD PRO 36 2HD PRO 36 2.040 -3.586 -12.106 270 2HD PRO 36 3HD PRO 36 3.483 -3.525 -13.145 271 H ASN 37 H ASN 37 -0.244 -1.663 -12.842 272 HA ASN 37 HA ASN 37 -1.837 0.382 -14.201 273 1HB ASN 37 2HB ASN 37 -2.586 -1.498 -11.940 274 2HB ASN 37 3HB ASN 37 -3.679 -0.457 -12.819 275 1HD2 ASN 37 1HD2 ASN 37 -1.717 -3.366 -13.026 276 2HD2 ASN 37 2HD2 ASN 37 -2.390 -3.947 -14.555 277 H LYS 38 H LYS 38 -0.102 0.203 -11.157 278 HA LYS 38 HA LYS 38 0.361 1.720 -9.586 279 1HB LYS 38 2HB LYS 38 -1.298 3.781 -11.100 280 2HB LYS 38 3HB LYS 38 -0.411 4.026 -9.604 281 1HG LYS 38 2HG LYS 38 0.771 4.898 -11.550 282 2HG LYS 38 3HG LYS 38 1.712 3.742 -10.591 283 1HD LYS 38 2HD LYS 38 1.331 1.992 -12.171 284 2HD LYS 38 3HD LYS 38 0.189 2.985 -13.119 285 1HE LYS 38 2HE LYS 38 1.975 4.383 -13.898 286 2HE LYS 38 3HE LYS 38 3.109 3.723 -12.697 287 1HZ LYS 38 1HZ LYS 38 1.860 2.030 -14.743 288 2HZ LYS 38 2HZ LYS 38 3.351 2.751 -14.962 289 3HZ LYS 38 3HZ LYS 38 3.081 1.661 -13.736 290 H LYS 39 H LYS 39 -1.118 -0.222 -9.106 291 HA LYS 39 HA LYS 39 -3.112 0.847 -7.172 292 1HB LYS 39 2HB LYS 39 -3.315 -1.632 -8.905 293 2HB LYS 39 3HB LYS 39 -3.860 -1.697 -7.231 294 1HG LYS 39 2HG LYS 39 -5.327 0.286 -7.674 295 2HG LYS 39 3HG LYS 39 -4.886 0.172 -9.396 296 1HD LYS 39 2HD LYS 39 -5.722 -2.187 -9.418 297 2HD LYS 39 3HD LYS 39 -6.070 -2.077 -7.681 298 1HE LYS 39 2HE LYS 39 -7.676 -0.190 -8.171 299 2HE LYS 39 3HE LYS 39 -7.464 -0.521 -9.903 300 1HZ LYS 39 1HZ LYS 39 -8.267 -2.781 -9.436 301 2HZ LYS 39 2HZ LYS 39 -8.416 -2.417 -7.851 302 3HZ LYS 39 3HZ LYS 39 -9.384 -1.666 -8.942 303 H VAL 40 H VAL 40 -2.964 -0.212 -5.074 304 HA VAL 40 HA VAL 40 -0.715 -2.065 -4.684 305 HB VAL 40 HB VAL 40 -1.582 0.455 -3.222 306 1HG1 VAL 40 1HG1 VAL 40 -0.418 -0.329 -1.196 307 2HG1 VAL 40 2HG1 VAL 40 -1.941 -1.156 -1.578 308 3HG1 VAL 40 3HG1 VAL 40 -0.383 -1.977 -1.893 309 1HG2 VAL 40 1HG2 VAL 40 0.364 0.468 -4.733 310 2HG2 VAL 40 2HG2 VAL 40 0.805 0.832 -3.052 311 3HG2 VAL 40 3HG2 VAL 40 1.143 -0.779 -3.734 312 H CYS 41 H CYS 41 -1.390 -3.834 -3.464 313 HA CYS 41 HA CYS 41 -4.158 -3.793 -2.422 314 1HB CYS 41 2HB CYS 41 -4.588 -6.036 -3.260 315 2HB CYS 41 3HB CYS 41 -4.337 -4.909 -4.608 316 HG CYS 41 HG CYS 41 -2.055 -6.865 -3.223 317 H ILE 42 H ILE 42 -4.318 -4.791 -0.438 318 HA ILE 42 HA ILE 42 -1.839 -6.096 0.619 319 HB ILE 42 HB ILE 42 -3.230 -3.860 2.095 320 1HG1 ILE 42 2HG1 ILE 42 -0.699 -3.673 0.392 321 2HG1 ILE 42 3HG1 ILE 42 -2.236 -2.859 0.078 322 1HG2 ILE 42 1HG2 ILE 42 -1.241 -3.937 3.534 323 2HG2 ILE 42 2HG2 ILE 42 -1.977 -5.526 3.457 324 3HG2 ILE 42 3HG2 ILE 42 -0.525 -5.181 2.500 325 1HD1 ILE 42 1HD1 ILE 42 -0.331 -2.305 2.353 326 2HD1 ILE 42 2HD1 ILE 42 -0.797 -1.234 1.031 327 3HD1 ILE 42 3HD1 ILE 42 -1.986 -1.650 2.279 328 H GLU 43 H GLU 43 -2.155 -7.740 1.938 329 HA GLU 43 HA GLU 43 -4.875 -8.262 3.072 330 1HB GLU 43 2HB GLU 43 -4.504 -9.420 0.853 331 2HB GLU 43 3HB GLU 43 -3.113 -10.243 1.561 332 1HG GLU 43 2HG GLU 43 -4.658 -11.230 3.297 333 2HG GLU 43 3HG GLU 43 -6.025 -10.485 2.449 334 H SER 44 H SER 44 -4.453 -8.212 5.268 335 HA SER 44 HA SER 44 -2.805 -10.246 6.299 336 1HB SER 44 2HB SER 44 -0.995 -8.583 5.893 337 2HB SER 44 3HB SER 44 -1.804 -7.465 7.014 338 HG SER 44 HG SER 44 -0.139 -8.924 7.983 339 H GLU 45 H GLU 45 -2.594 -9.853 8.772 340 HA GLU 45 HA GLU 45 -5.256 -9.092 9.842 341 1HB GLU 45 2HB GLU 45 -3.829 -11.384 10.296 342 2HB GLU 45 3HB GLU 45 -3.265 -10.400 11.648 343 1HG GLU 45 2HG GLU 45 -5.252 -11.858 12.154 344 2HG GLU 45 3HG GLU 45 -5.593 -10.138 12.406 345 H HIS 46 H HIS 46 -4.396 -7.024 8.959 346 HA HIS 46 HA HIS 46 -3.737 -5.364 11.282 347 1HB HIS 46 2HB HIS 46 -2.391 -5.087 8.548 348 2HB HIS 46 3HB HIS 46 -2.319 -3.891 9.843 349 HD1 HIS 46 1HD HIS 46 -1.210 -5.148 12.275 350 HD2 HIS 46 2HD HIS 46 -0.193 -6.417 8.401 351 HE1 HIS 46 1HE HIS 46 1.116 -6.197 12.426 352 H SER 47 H SER 47 -5.254 -3.510 11.181 353 HA SER 47 HA SER 47 -7.379 -3.941 9.428 354 1HB SER 47 2HB SER 47 -8.362 -2.248 10.621 355 2HB SER 47 3HB SER 47 -7.336 -2.957 11.817 356 HG SER 47 HG SER 47 -7.484 -0.497 11.149 357 H MET 48 H MET 48 -8.337 -2.339 8.047 358 HA MET 48 HA MET 48 -6.887 -1.118 5.970 359 1HB MET 48 2HB MET 48 -9.466 -0.212 7.357 360 2HB MET 48 3HB MET 48 -8.895 0.357 5.776 361 1HG MET 48 2HG MET 48 -8.934 -1.944 4.942 362 2HG MET 48 3HG MET 48 -9.615 -2.510 6.479 363 1HE MET 48 1HE MET 48 -12.034 -1.877 7.343 364 2HE MET 48 2HE MET 48 -11.765 -0.130 7.101 365 3HE MET 48 3HE MET 48 -13.197 -0.914 6.403 366 H ASP 49 H ASP 49 -7.925 0.103 9.159 367 HA ASP 49 HA ASP 49 -7.143 2.786 8.795 368 1HB ASP 49 2HB ASP 49 -7.029 1.591 11.562 369 2HB ASP 49 3HB ASP 49 -7.710 3.117 11.018 370 H THR 50 H THR 50 -5.571 0.110 10.359 371 HA THR 50 HA THR 50 -3.163 1.310 11.216 372 HB THR 50 HB THR 50 -3.547 -1.568 10.257 373 HG1 THR 50 1HG THR 50 -5.085 -1.011 11.834 374 1HG2 THR 50 1HG2 THR 50 -1.191 -0.967 10.651 375 2HG2 THR 50 2HG2 THR 50 -1.607 -0.336 12.260 376 3HG2 THR 50 3HG2 THR 50 -1.783 -2.068 11.911 377 H LEU 51 H LEU 51 -3.839 -0.512 8.172 378 HA LEU 51 HA LEU 51 -1.237 -0.113 7.066 379 1HB LEU 51 2HB LEU 51 -3.885 -0.537 5.627 380 2HB LEU 51 3HB LEU 51 -2.270 -0.654 4.892 381 HG LEU 51 HG LEU 51 -3.212 -2.370 7.257 382 1HD1 LEU 51 1HD1 LEU 51 -4.666 -2.831 5.378 383 2HD1 LEU 51 2HD1 LEU 51 -3.274 -2.989 4.290 384 3HD1 LEU 51 3HD1 LEU 51 -3.539 -4.181 5.585 385 1HD2 LEU 51 1HD2 LEU 51 -0.800 -2.300 7.155 386 2HD2 LEU 51 2HD2 LEU 51 -1.339 -3.856 6.520 387 3HD2 LEU 51 3HD2 LEU 51 -0.831 -2.571 5.399 388 H LEU 52 H LEU 52 -4.306 1.626 6.392 389 HA LEU 52 HA LEU 52 -3.350 3.566 4.636 390 1HB LEU 52 2HB LEU 52 -5.579 3.426 6.623 391 2HB LEU 52 3HB LEU 52 -5.177 5.020 6.017 392 HG LEU 52 HG LEU 52 -5.680 2.692 4.155 393 1HD1 LEU 52 1HD1 LEU 52 -7.643 2.898 5.589 394 2HD1 LEU 52 2HD1 LEU 52 -7.726 4.646 5.268 395 3HD1 LEU 52 3HD1 LEU 52 -8.008 3.475 3.961 396 1HD2 LEU 52 1HD2 LEU 52 -4.575 4.719 3.179 397 2HD2 LEU 52 2HD2 LEU 52 -6.221 4.570 2.571 398 3HD2 LEU 52 3HD2 LEU 52 -5.865 5.737 3.848 399 H ALA 53 H ALA 53 -3.680 3.966 8.204 400 HA ALA 53 HA ALA 53 -2.494 6.496 8.306 401 1HB ALA 53 1HB ALA 53 -2.520 4.319 10.449 402 2HB ALA 53 2HB ALA 53 -2.241 6.050 10.735 403 3HB ALA 53 3HB ALA 53 -3.820 5.492 10.146 404 H THR 54 H THR 54 -0.936 3.298 8.448 405 HA THR 54 HA THR 54 1.700 4.300 8.968 406 HB THR 54 HB THR 54 0.807 1.764 7.525 407 HG1 THR 54 1HG THR 54 0.064 1.813 9.589 408 1HG2 THR 54 1HG2 THR 54 3.094 1.009 8.225 409 2HG2 THR 54 2HG2 THR 54 3.097 2.223 6.943 410 3HG2 THR 54 3HG2 THR 54 3.494 2.686 8.620 411 H LEU 55 H LEU 55 0.198 3.224 5.870 412 HA LEU 55 HA LEU 55 2.502 3.861 4.367 413 1HB LEU 55 2HB LEU 55 1.354 3.179 2.505 414 2HB LEU 55 3HB LEU 55 1.033 2.108 3.832 415 HG LEU 55 HG LEU 55 -1.188 3.406 4.089 416 1HD1 LEU 55 1HD1 LEU 55 -0.713 5.235 2.608 417 2HD1 LEU 55 2HD1 LEU 55 -0.184 4.120 1.354 418 3HD1 LEU 55 3HD1 LEU 55 -1.923 4.233 1.793 419 1HD2 LEU 55 1HD2 LEU 55 -0.958 1.051 3.317 420 2HD2 LEU 55 2HD2 LEU 55 -2.207 1.898 2.378 421 3HD2 LEU 55 3HD2 LEU 55 -0.597 1.632 1.674 422 H LYS 56 H LYS 56 -0.362 5.676 5.014 423 HA LYS 56 HA LYS 56 -0.490 7.821 3.506 424 1HB LYS 56 2HB LYS 56 -1.508 7.361 5.916 425 2HB LYS 56 3HB LYS 56 -0.180 8.362 6.487 426 1HG LYS 56 2HG LYS 56 -1.051 10.133 4.831 427 2HG LYS 56 3HG LYS 56 -2.399 9.003 4.528 428 1HD LYS 56 2HD LYS 56 -2.954 9.030 6.954 429 2HD LYS 56 3HD LYS 56 -1.651 10.206 7.230 430 1HE LYS 56 2HE LYS 56 -2.789 11.831 5.722 431 2HE LYS 56 3HE LYS 56 -4.059 10.645 5.380 432 1HZ LYS 56 1HZ LYS 56 -4.695 10.735 7.690 433 2HZ LYS 56 2HZ LYS 56 -3.516 11.839 8.019 434 3HZ LYS 56 3HZ LYS 56 -4.755 12.230 7.015 435 H LYS 57 H LYS 57 2.162 7.286 5.756 436 HA LYS 57 HA LYS 57 3.344 9.829 5.879 437 1HB LYS 57 2HB LYS 57 4.507 7.045 6.102 438 2HB LYS 57 3HB LYS 57 5.382 8.529 6.560 439 1HG LYS 57 2HG LYS 57 3.548 9.058 8.163 440 2HG LYS 57 3HG LYS 57 2.743 7.538 7.710 441 1HD LYS 57 2HD LYS 57 4.941 6.350 8.343 442 2HD LYS 57 3HD LYS 57 5.394 7.846 9.165 443 1HE LYS 57 2HE LYS 57 2.994 6.018 9.687 444 2HE LYS 57 3HE LYS 57 4.377 6.278 10.758 445 1HZ LYS 57 1HZ LYS 57 3.606 8.572 11.011 446 2HZ LYS 57 2HZ LYS 57 2.298 8.244 10.054 447 3HZ LYS 57 3HZ LYS 57 2.470 7.484 11.496 448 H THR 58 H THR 58 3.381 7.575 3.123 449 HA THR 58 HA THR 58 5.741 8.578 1.853 450 HB THR 58 HB THR 58 4.570 7.831 -0.249 451 HG1 THR 58 1HG THR 58 2.401 8.238 0.487 452 1HG2 THR 58 1HG2 THR 58 4.507 5.449 0.387 453 2HG2 THR 58 2HG2 THR 58 5.920 6.278 1.086 454 3HG2 THR 58 3HG2 THR 58 4.510 5.912 2.102 455 H GLY 59 H GLY 59 2.533 9.963 2.300 456 1HA GLY 59 2HA GLY 59 1.620 11.935 1.689 457 2HA GLY 59 3HA GLY 59 3.285 12.541 1.530 458 H LYS 60 H LYS 60 1.135 10.250 -0.237 459 HA LYS 60 HA LYS 60 1.398 11.723 -2.769 460 1HB LYS 60 2HB LYS 60 1.839 8.716 -2.405 461 2HB LYS 60 3HB LYS 60 1.860 9.572 -3.946 462 1HG LYS 60 2HG LYS 60 3.838 9.979 -1.657 463 2HG LYS 60 3HG LYS 60 4.110 8.953 -3.031 464 1HD LYS 60 2HD LYS 60 4.214 10.725 -4.583 465 2HD LYS 60 3HD LYS 60 3.480 11.891 -3.490 466 1HE LYS 60 2HE LYS 60 6.248 10.656 -3.094 467 2HE LYS 60 3HE LYS 60 5.892 12.253 -3.766 468 1HZ LYS 60 1HZ LYS 60 6.331 12.643 -1.530 469 2HZ LYS 60 2HZ LYS 60 4.672 12.647 -1.589 470 3HZ LYS 60 3HZ LYS 60 5.456 11.362 -0.992 471 H THR 61 H THR 61 -0.283 10.713 -4.344 472 HA THR 61 HA THR 61 -2.809 10.593 -3.148 473 HB THR 61 HB THR 61 -2.076 9.685 -5.937 474 HG1 THR 61 1HG THR 61 -1.990 12.382 -5.083 475 1HG2 THR 61 1HG2 THR 61 -4.494 9.940 -5.365 476 2HG2 THR 61 2HG2 THR 61 -4.193 11.625 -4.882 477 3HG2 THR 61 3HG2 THR 61 -3.981 11.131 -6.578 478 H VAL 62 H VAL 62 -1.451 8.478 -1.924 479 HA VAL 62 HA VAL 62 -2.255 5.945 -3.218 480 HB VAL 62 HB VAL 62 -0.091 6.028 -2.233 481 1HG1 VAL 62 1HG1 VAL 62 0.378 6.194 0.129 482 2HG1 VAL 62 2HG1 VAL 62 -0.298 7.700 -0.477 483 3HG1 VAL 62 3HG1 VAL 62 -1.302 6.605 0.490 484 1HG2 VAL 62 1HG2 VAL 62 -1.914 4.246 -0.584 485 2HG2 VAL 62 2HG2 VAL 62 -1.337 3.910 -2.222 486 3HG2 VAL 62 3HG2 VAL 62 -0.176 4.013 -0.905 487 H SER 63 H SER 63 -4.471 6.121 -3.334 488 HA SER 63 HA SER 63 -6.012 6.722 -0.864 489 1HB SER 63 2HB SER 63 -6.831 6.377 -3.775 490 2HB SER 63 3HB SER 63 -7.895 6.899 -2.450 491 HG SER 63 HG SER 63 -6.921 8.643 -3.707 492 H TYR 64 H TYR 64 -7.523 5.242 -0.017 493 HA TYR 64 HA TYR 64 -7.227 2.365 -0.703 494 1HB TYR 64 2HB TYR 64 -7.070 2.711 1.612 495 2HB TYR 64 3HB TYR 64 -8.317 3.961 1.606 496 HD1 TYR 64 HD1 TYR 64 -7.828 0.264 1.129 497 HD2 TYR 64 HD2 TYR 64 -10.576 3.464 2.037 498 HE1 TYR 64 HE1 TYR 64 -9.642 -1.381 1.544 499 HE2 TYR 64 HE2 TYR 64 -12.379 1.822 2.393 500 HH TYR 64 HH TYR 64 -12.968 -0.414 2.346 501 H LEU 65 H LEU 65 -8.838 1.266 -1.802 502 HA LEU 65 HA LEU 65 -11.597 2.172 -1.646 503 1HB LEU 65 2HB LEU 65 -11.801 2.093 -4.196 504 2HB LEU 65 3HB LEU 65 -11.322 3.552 -3.371 505 HG LEU 65 HG LEU 65 -10.119 3.062 -5.450 506 1HD1 LEU 65 1HD1 LEU 65 -8.210 4.127 -4.882 507 2HD1 LEU 65 2HD1 LEU 65 -9.306 4.559 -3.567 508 3HD1 LEU 65 3HD1 LEU 65 -8.095 3.278 -3.343 509 1HD2 LEU 65 1HD2 LEU 65 -8.704 0.839 -3.992 510 2HD2 LEU 65 2HD2 LEU 65 -9.745 0.705 -5.428 511 3HD2 LEU 65 3HD2 LEU 65 -8.204 1.536 -5.530 512 H GLY 66 H GLY 66 -11.416 -0.043 -0.507 513 1HA GLY 66 2HA GLY 66 -13.351 -1.485 -1.204 514 2HA GLY 66 3HA GLY 66 -12.343 -2.049 -2.543 515 H LEU 67 H LEU 67 -13.465 -3.698 -0.483 516 HA LEU 67 HA LEU 67 -11.022 -4.933 0.510 517 1HB LEU 67 2HB LEU 67 -11.800 -5.344 2.675 518 2HB LEU 67 3HB LEU 67 -11.925 -3.606 2.418 519 HG LEU 67 HG LEU 67 -14.235 -5.615 2.375 520 1HD1 LEU 67 1HD1 LEU 67 -13.461 -3.486 4.409 521 2HD1 LEU 67 2HD1 LEU 67 -14.868 -4.567 4.499 522 3HD1 LEU 67 3HD1 LEU 67 -13.232 -5.237 4.604 523 1HD2 LEU 67 1HD2 LEU 67 -15.675 -3.538 2.495 524 2HD2 LEU 67 2HD2 LEU 67 -14.243 -2.577 2.082 525 3HD2 LEU 67 3HD2 LEU 67 -14.897 -3.773 0.936 526 H GLU 68 H GLU 68 -11.170 -7.215 0.521 527 HA GLU 68 HA GLU 68 -13.590 -8.471 -0.627 528 1HB GLU 68 2HB GLU 68 -12.037 -7.460 -2.397 529 2HB GLU 68 3HB GLU 68 -10.782 -8.555 -1.798 530 1HG GLU 68 2HG GLU 68 -12.109 -10.488 -2.506 531 2HG GLU 68 3HG GLU 68 -13.457 -9.428 -2.958 Start of MODEL 27 1 1H MET 1 H1 MET 1 -9.926 -12.796 7.229 2 2H MET 1 H2 MET 1 -10.103 -11.806 8.527 3 3H MET 1 H3 MET 1 -11.140 -11.668 7.236 4 HA MET 1 HA MET 1 -9.424 -9.938 7.333 5 1HB MET 1 2HB MET 1 -7.140 -10.608 6.655 6 2HB MET 1 3HB MET 1 -7.626 -11.062 8.287 7 1HG MET 1 2HG MET 1 -7.488 -12.967 5.914 8 2HG MET 1 3HG MET 1 -6.289 -12.810 7.177 9 1HE MET 1 1HE MET 1 -8.163 -16.349 7.521 10 2HE MET 1 2HE MET 1 -8.059 -15.412 6.010 11 3HE MET 1 3HE MET 1 -6.629 -15.573 7.060 12 HA PRO 2 HA PRO 2 -10.725 -10.649 2.956 13 1HB PRO 2 2HB PRO 2 -11.643 -8.168 2.429 14 2HB PRO 2 3HB PRO 2 -12.647 -9.357 3.313 15 1HG PRO 2 2HG PRO 2 -10.974 -7.102 4.452 16 2HG PRO 2 3HG PRO 2 -12.651 -7.541 4.887 17 1HD PRO 2 2HD PRO 2 -10.461 -8.316 6.331 18 2HD PRO 2 3HD PRO 2 -11.913 -9.358 6.201 19 H LYS 3 H LYS 3 -9.681 -9.652 1.017 20 HA LYS 3 HA LYS 3 -7.080 -8.342 1.641 21 1HB LYS 3 2HB LYS 3 -6.578 -9.865 0.162 22 2HB LYS 3 3HB LYS 3 -8.152 -9.978 -0.544 23 1HG LYS 3 2HG LYS 3 -6.289 -7.614 -1.018 24 2HG LYS 3 3HG LYS 3 -6.180 -9.087 -1.942 25 1HD LYS 3 2HD LYS 3 -8.798 -7.492 -1.828 26 2HD LYS 3 3HD LYS 3 -7.504 -7.127 -2.956 27 1HE LYS 3 2HE LYS 3 -9.177 -8.437 -4.045 28 2HE LYS 3 3HE LYS 3 -7.681 -9.366 -3.970 29 1HZ LYS 3 1HZ LYS 3 -9.846 -9.737 -1.974 30 2HZ LYS 3 2HZ LYS 3 -9.886 -10.465 -3.437 31 3HZ LYS 3 3HZ LYS 3 -8.658 -10.779 -2.375 32 H HIS 4 H HIS 4 -6.658 -6.255 0.768 33 HA HIS 4 HA HIS 4 -9.036 -4.557 0.274 34 1HB HIS 4 2HB HIS 4 -7.421 -2.989 1.847 35 2HB HIS 4 3HB HIS 4 -8.865 -3.858 2.353 36 HD1 HIS 4 1HD HIS 4 -8.342 -6.420 3.521 37 HD2 HIS 4 2HD HIS 4 -5.255 -3.576 3.215 38 HE1 HIS 4 1HE HIS 4 -6.684 -6.971 5.323 39 H GLU 5 H GLU 5 -8.765 -2.922 -1.138 40 HA GLU 5 HA GLU 5 -6.335 -3.064 -2.837 41 1HB GLU 5 2HB GLU 5 -9.287 -2.459 -3.168 42 2HB GLU 5 3HB GLU 5 -8.152 -1.846 -4.357 43 1HG GLU 5 2HG GLU 5 -7.932 -4.753 -3.575 44 2HG GLU 5 3HG GLU 5 -9.256 -4.218 -4.616 45 H PHE 6 H PHE 6 -5.250 -1.247 -3.502 46 HA PHE 6 HA PHE 6 -6.151 1.408 -2.566 47 1HB PHE 6 2HB PHE 6 -3.296 0.318 -2.266 48 2HB PHE 6 3HB PHE 6 -3.835 1.897 -1.764 49 HD1 PHE 6 1HD PHE 6 -4.262 -1.772 -1.090 50 HD2 PHE 6 2HD PHE 6 -4.442 2.223 0.568 51 HE1 PHE 6 1HE PHE 6 -4.660 -2.709 1.140 52 HE2 PHE 6 2HE PHE 6 -4.692 1.253 2.817 53 HZ PHE 6 HZ PHE 6 -4.866 -1.196 3.123 54 H SER 7 H SER 7 -5.765 2.977 -4.024 55 HA SER 7 HA SER 7 -4.487 2.227 -6.618 56 1HB SER 7 2HB SER 7 -6.722 3.408 -6.681 57 2HB SER 7 3HB SER 7 -5.925 4.812 -5.917 58 HG SER 7 HG SER 7 -5.966 4.921 -8.222 59 H VAL 8 H VAL 8 -2.438 3.021 -7.017 60 HA VAL 8 HA VAL 8 -1.191 4.875 -5.067 61 HB VAL 8 HB VAL 8 0.131 2.455 -6.370 62 1HG1 VAL 8 1HG1 VAL 8 1.809 2.896 -4.664 63 2HG1 VAL 8 2HG1 VAL 8 1.423 4.473 -5.399 64 3HG1 VAL 8 3HG1 VAL 8 0.739 4.045 -3.828 65 1HG2 VAL 8 1HG2 VAL 8 -1.304 2.539 -3.685 66 2HG2 VAL 8 2HG2 VAL 8 -1.542 1.409 -5.032 67 3HG2 VAL 8 3HG2 VAL 8 -0.032 1.391 -4.103 68 H ASP 9 H ASP 9 -0.987 6.723 -6.395 69 HA ASP 9 HA ASP 9 -0.119 6.485 -9.135 70 1HB ASP 9 2HB ASP 9 -1.314 8.456 -8.381 71 2HB ASP 9 3HB ASP 9 0.011 8.770 -7.228 72 H MET 10 H MET 10 1.533 4.856 -8.686 73 HA MET 10 HA MET 10 4.004 5.658 -7.414 74 1HB MET 10 2HB MET 10 3.302 3.378 -9.321 75 2HB MET 10 3HB MET 10 4.918 3.618 -8.628 76 1HG MET 10 2HG MET 10 3.924 3.619 -6.340 77 2HG MET 10 3HG MET 10 2.347 3.251 -7.052 78 1HE MET 10 1HE MET 10 2.528 -0.399 -7.960 79 2HE MET 10 2HE MET 10 1.459 0.868 -7.343 80 3HE MET 10 3HE MET 10 2.316 1.119 -8.877 81 H THR 11 H THR 11 4.731 7.525 -8.151 82 HA THR 11 HA THR 11 4.452 8.426 -10.823 83 HB THR 11 HB THR 11 6.254 9.876 -8.955 84 HG1 THR 11 1HG THR 11 3.606 9.191 -8.141 85 1HG2 THR 11 1HG2 THR 11 5.159 10.929 -10.925 86 2HG2 THR 11 2HG2 THR 11 3.564 10.606 -10.200 87 3HG2 THR 11 3HG2 THR 11 4.698 11.714 -9.400 88 H CYS 12 H CYS 12 6.997 6.829 -9.028 89 HA CYS 12 HA CYS 12 8.645 6.570 -11.445 90 1HB CYS 12 2HB CYS 12 9.742 8.462 -10.327 91 2HB CYS 12 3HB CYS 12 9.645 7.638 -8.752 92 HG CYS 12 HG CYS 12 12.105 7.580 -9.539 93 H GLY 13 H GLY 13 9.841 4.521 -11.234 94 1HA GLY 13 2HA GLY 13 8.638 2.358 -10.060 95 2HA GLY 13 3HA GLY 13 10.376 2.459 -10.377 96 H GLY 14 H GLY 14 11.123 4.461 -8.537 97 1HA GLY 14 2HA GLY 14 11.557 2.996 -6.189 98 2HA GLY 14 3HA GLY 14 11.757 4.750 -6.353 99 H CYS 15 H CYS 15 8.670 4.774 -7.057 100 HA CYS 15 HA CYS 15 7.660 5.355 -4.433 101 1HB CYS 15 2HB CYS 15 6.211 4.788 -7.006 102 2HB CYS 15 3HB CYS 15 5.453 5.274 -5.470 103 HG CYS 15 HG CYS 15 7.904 6.868 -6.944 104 H ALA 16 H ALA 16 7.731 2.426 -6.517 105 HA ALA 16 HA ALA 16 5.968 0.857 -4.875 106 1HB ALA 16 1HB ALA 16 6.910 -1.063 -6.118 107 2HB ALA 16 2HB ALA 16 6.501 0.258 -7.231 108 3HB ALA 16 3HB ALA 16 8.194 -0.040 -6.777 109 H GLU 17 H GLU 17 9.543 1.199 -5.028 110 HA GLU 17 HA GLU 17 10.149 -0.477 -2.824 111 1HB GLU 17 2HB GLU 17 11.506 2.072 -3.831 112 2HB GLU 17 3HB GLU 17 11.979 1.235 -2.370 113 1HG GLU 17 2HG GLU 17 12.106 -0.908 -3.909 114 2HG GLU 17 3HG GLU 17 12.247 0.292 -5.210 115 H ALA 18 H ALA 18 9.212 2.989 -2.892 116 HA ALA 18 HA ALA 18 9.590 3.506 -0.151 117 1HB ALA 18 1HB ALA 18 8.164 5.432 -0.436 118 2HB ALA 18 2HB ALA 18 9.211 5.249 -1.857 119 3HB ALA 18 3HB ALA 18 7.497 4.791 -1.943 120 H VAL 19 H VAL 19 6.572 2.620 -1.854 121 HA VAL 19 HA VAL 19 4.922 2.372 0.432 122 HB VAL 19 HB VAL 19 4.727 1.130 -2.327 123 1HG1 VAL 19 1HG1 VAL 19 2.285 0.896 -1.737 124 2HG1 VAL 19 2HG1 VAL 19 3.334 -0.223 -0.856 125 3HG1 VAL 19 3HG1 VAL 19 2.697 1.237 -0.052 126 1HG2 VAL 19 1HG2 VAL 19 3.091 2.939 -2.677 127 2HG2 VAL 19 2HG2 VAL 19 3.317 3.509 -1.015 128 3HG2 VAL 19 3HG2 VAL 19 4.631 3.652 -2.192 129 H SER 20 H SER 20 6.928 -0.082 -1.293 130 HA SER 20 HA SER 20 6.190 -2.276 0.344 131 1HB SER 20 2HB SER 20 7.464 -2.428 -1.809 132 2HB SER 20 3HB SER 20 8.871 -1.692 -1.033 133 HG SER 20 HG SER 20 9.046 -3.942 -1.095 134 H ARG 21 H ARG 21 9.039 -0.002 0.823 135 HA ARG 21 HA ARG 21 9.868 -1.499 3.073 136 1HB ARG 21 2HB ARG 21 11.482 0.229 3.408 137 2HB ARG 21 3HB ARG 21 11.409 -0.285 1.722 138 1HG ARG 21 2HG ARG 21 10.136 1.769 1.159 139 2HG ARG 21 3HG ARG 21 10.129 2.235 2.827 140 1HD ARG 21 2HD ARG 21 11.822 3.482 1.658 141 2HD ARG 21 3HD ARG 21 12.647 2.347 2.752 142 HE ARG 21 HE ARG 21 12.401 1.084 0.215 143 1HH1 ARG 21 2HH2 ARG 21 14.015 3.874 1.630 144 2HH1 ARG 21 1HH2 ARG 21 15.356 3.870 0.523 145 1HH2 ARG 21 2HH1 ARG 21 14.244 1.035 -1.318 146 2HH2 ARG 21 1HH1 ARG 21 15.446 2.244 -1.182 147 H VAL 22 H VAL 22 7.800 1.514 2.797 148 HA VAL 22 HA VAL 22 7.646 1.877 5.570 149 HB VAL 22 HB VAL 22 7.146 3.484 3.686 150 1HG1 VAL 22 1HG1 VAL 22 4.405 2.182 3.813 151 2HG1 VAL 22 2HG1 VAL 22 4.868 3.625 2.869 152 3HG1 VAL 22 3HG1 VAL 22 5.586 2.062 2.494 153 1HG2 VAL 22 1HG2 VAL 22 6.780 4.072 5.957 154 2HG2 VAL 22 2HG2 VAL 22 5.425 4.676 4.958 155 3HG2 VAL 22 3HG2 VAL 22 5.203 3.236 5.977 156 H LEU 23 H LEU 23 5.470 -0.114 3.309 157 HA LEU 23 HA LEU 23 3.789 -0.967 5.434 158 1HB LEU 23 2HB LEU 23 4.485 -2.057 2.709 159 2HB LEU 23 3HB LEU 23 3.722 -3.091 3.888 160 HG LEU 23 HG LEU 23 2.006 -2.366 2.652 161 1HD1 LEU 23 1HD1 LEU 23 1.728 -0.368 4.929 162 2HD1 LEU 23 2HD1 LEU 23 0.479 -1.306 4.105 163 3HD1 LEU 23 3HD1 LEU 23 1.615 -2.119 5.192 164 1HD2 LEU 23 1HD2 LEU 23 2.940 -0.619 1.456 165 2HD2 LEU 23 2HD2 LEU 23 1.441 -0.015 2.192 166 3HD2 LEU 23 3HD2 LEU 23 3.021 0.444 2.895 167 H ASN 24 H ASN 24 6.726 -2.554 4.132 168 HA ASN 24 HA ASN 24 6.874 -4.689 5.937 169 1HB ASN 24 2HB ASN 24 8.439 -4.718 4.229 170 2HB ASN 24 3HB ASN 24 8.878 -3.027 4.441 171 1HD2 ASN 24 1HD2 ASN 24 10.138 -2.381 6.246 172 2HD2 ASN 24 2HD2 ASN 24 11.301 -3.520 6.946 173 H LYS 25 H LYS 25 8.013 -1.323 6.432 174 HA LYS 25 HA LYS 25 9.196 -1.672 8.942 175 1HB LYS 25 2HB LYS 25 8.029 0.650 7.415 176 2HB LYS 25 3HB LYS 25 8.262 0.882 9.135 177 1HG LYS 25 2HG LYS 25 10.427 -0.005 7.176 178 2HG LYS 25 3HG LYS 25 10.121 1.659 7.690 179 1HD LYS 25 2HD LYS 25 10.459 0.790 10.138 180 2HD LYS 25 3HD LYS 25 11.078 -0.685 9.398 181 1HE LYS 25 2HE LYS 25 13.005 0.559 9.831 182 2HE LYS 25 3HE LYS 25 12.724 0.732 8.090 183 1HZ LYS 25 1HZ LYS 25 13.295 2.816 9.140 184 2HZ LYS 25 2HZ LYS 25 11.761 2.904 8.556 185 3HZ LYS 25 3HZ LYS 25 12.021 2.710 10.171 186 H LEU 26 H LEU 26 5.763 -1.305 8.207 187 HA LEU 26 HA LEU 26 4.814 -0.772 10.818 188 1HB LEU 26 2HB LEU 26 3.540 -0.763 8.748 189 2HB LEU 26 3HB LEU 26 3.539 -2.503 8.627 190 HG LEU 26 HG LEU 26 1.485 -1.275 9.401 191 1HD1 LEU 26 1HD1 LEU 26 0.700 -2.992 10.848 192 2HD1 LEU 26 2HD1 LEU 26 1.652 -3.676 9.521 193 3HD1 LEU 26 3HD1 LEU 26 2.353 -3.572 11.158 194 1HD2 LEU 26 1HD2 LEU 26 2.825 -1.262 12.144 195 2HD2 LEU 26 2HD2 LEU 26 2.622 0.184 11.137 196 3HD2 LEU 26 3HD2 LEU 26 1.204 -0.693 11.733 197 H GLY 27 H GLY 27 5.879 -3.790 9.282 198 1HA GLY 27 2HA GLY 27 6.586 -5.037 11.685 199 2HA GLY 27 3HA GLY 27 4.901 -5.507 11.358 200 H GLY 28 H GLY 28 4.444 -6.520 9.296 201 1HA GLY 28 2HA GLY 28 6.452 -7.441 7.463 202 2HA GLY 28 3HA GLY 28 6.061 -8.716 8.641 203 H VAL 29 H VAL 29 3.967 -6.164 7.311 204 HA VAL 29 HA VAL 29 1.784 -7.948 6.778 205 HB VAL 29 HB VAL 29 1.463 -5.588 7.318 206 1HG1 VAL 29 1HG1 VAL 29 3.578 -4.946 5.636 207 2HG1 VAL 29 2HG1 VAL 29 2.132 -4.437 4.739 208 3HG1 VAL 29 3HG1 VAL 29 2.423 -3.846 6.382 209 1HG2 VAL 29 1HG2 VAL 29 -0.223 -6.817 5.995 210 2HG2 VAL 29 2HG2 VAL 29 -0.218 -5.078 5.644 211 3HG2 VAL 29 3HG2 VAL 29 0.516 -6.213 4.498 212 H LYS 30 H LYS 30 1.159 -8.941 4.806 213 HA LYS 30 HA LYS 30 3.234 -8.970 2.690 214 1HB LYS 30 2HB LYS 30 2.089 -11.061 3.813 215 2HB LYS 30 3HB LYS 30 0.844 -10.769 2.600 216 1HG LYS 30 2HG LYS 30 3.842 -11.203 2.163 217 2HG LYS 30 3HG LYS 30 2.573 -12.381 1.867 218 1HD LYS 30 2HD LYS 30 3.084 -9.819 0.253 219 2HD LYS 30 3HD LYS 30 3.386 -11.480 -0.214 220 1HE LYS 30 2HE LYS 30 0.723 -11.714 0.348 221 2HE LYS 30 3HE LYS 30 0.777 -9.994 -0.072 222 1HZ LYS 30 1HZ LYS 30 0.332 -11.143 -2.016 223 2HZ LYS 30 2HZ LYS 30 1.813 -10.668 -2.211 224 3HZ LYS 30 3HZ LYS 30 1.547 -12.250 -1.815 225 H TYR 31 H TYR 31 2.980 -7.521 1.191 226 HA TYR 31 HA TYR 31 0.297 -6.643 0.218 227 1HB TYR 31 2HB TYR 31 1.656 -4.592 -0.506 228 2HB TYR 31 3HB TYR 31 1.318 -4.774 1.211 229 HD1 TYR 31 HD1 TYR 31 4.002 -5.326 -1.331 230 HD2 TYR 31 HD2 TYR 31 3.030 -5.137 2.833 231 HE1 TYR 31 HE1 TYR 31 6.419 -5.245 -0.778 232 HE2 TYR 31 HE2 TYR 31 5.445 -5.079 3.407 233 HH TYR 31 HH TYR 31 7.925 -4.616 0.946 234 H ASP 32 H ASP 32 0.118 -6.304 -2.052 235 HA ASP 32 HA ASP 32 2.217 -7.480 -3.808 236 1HB ASP 32 2HB ASP 32 -0.796 -7.763 -3.753 237 2HB ASP 32 3HB ASP 32 0.095 -8.047 -5.236 238 H ILE 33 H ILE 33 2.669 -6.179 -5.541 239 HA ILE 33 HA ILE 33 1.400 -3.472 -5.626 240 HB ILE 33 HB ILE 33 4.344 -4.241 -5.693 241 1HG1 ILE 33 2HG1 ILE 33 3.471 -2.401 -3.534 242 2HG1 ILE 33 3HG1 ILE 33 2.919 -4.060 -3.318 243 1HG2 ILE 33 1HG2 ILE 33 4.734 -1.772 -5.571 244 2HG2 ILE 33 2HG2 ILE 33 3.922 -2.276 -7.057 245 3HG2 ILE 33 3HG2 ILE 33 2.990 -1.513 -5.755 246 1HD1 ILE 33 1HD1 ILE 33 5.160 -3.531 -2.308 247 2HD1 ILE 33 2HD1 ILE 33 5.153 -4.925 -3.412 248 3HD1 ILE 33 3HD1 ILE 33 5.811 -3.352 -3.943 249 H ASP 34 H ASP 34 0.649 -3.107 -7.670 250 HA ASP 34 HA ASP 34 2.172 -4.284 -9.969 251 1HB ASP 34 2HB ASP 34 -0.163 -5.077 -9.834 252 2HB ASP 34 3HB ASP 34 -0.721 -3.396 -9.974 253 H LEU 35 H LEU 35 3.283 -2.898 -11.104 254 HA LEU 35 HA LEU 35 3.334 -0.088 -10.446 255 1HB LEU 35 2HB LEU 35 4.913 -1.920 -12.233 256 2HB LEU 35 3HB LEU 35 5.006 -0.185 -12.519 257 HG LEU 35 HG LEU 35 6.822 -1.128 -11.137 258 1HD1 LEU 35 1HD1 LEU 35 6.261 1.278 -11.063 259 2HD1 LEU 35 2HD1 LEU 35 5.180 0.988 -9.686 260 3HD1 LEU 35 3HD1 LEU 35 6.919 0.684 -9.531 261 1HD2 LEU 35 1HD2 LEU 35 4.741 -1.401 -8.947 262 2HD2 LEU 35 2HD2 LEU 35 5.462 -2.765 -9.834 263 3HD2 LEU 35 3HD2 LEU 35 6.479 -1.726 -8.818 264 HA PRO 36 HA PRO 36 2.051 0.794 -14.935 265 1HB PRO 36 2HB PRO 36 0.772 -1.163 -16.439 266 2HB PRO 36 3HB PRO 36 2.518 -0.791 -16.498 267 1HG PRO 36 2HG PRO 36 1.137 -2.950 -14.890 268 2HG PRO 36 3HG PRO 36 2.599 -3.103 -15.903 269 1HD PRO 36 2HD PRO 36 2.800 -2.830 -13.253 270 2HD PRO 36 3HD PRO 36 3.915 -1.918 -14.315 271 H ASN 37 H ASN 37 -0.017 -1.610 -13.177 272 HA ASN 37 HA ASN 37 -2.429 -0.117 -13.927 273 1HB ASN 37 2HB ASN 37 -2.119 -2.457 -12.018 274 2HB ASN 37 3HB ASN 37 -3.619 -1.739 -12.590 275 1HD2 ASN 37 1HD2 ASN 37 -0.759 -3.550 -13.675 276 2HD2 ASN 37 2HD2 ASN 37 -1.535 -4.215 -15.118 277 H LYS 38 H LYS 38 0.007 0.597 -11.645 278 HA LYS 38 HA LYS 38 0.064 2.117 -10.001 279 1HB LYS 38 2HB LYS 38 -2.529 2.996 -11.352 280 2HB LYS 38 3HB LYS 38 -1.683 3.946 -10.153 281 1HG LYS 38 2HG LYS 38 -0.053 3.031 -12.528 282 2HG LYS 38 3HG LYS 38 -1.331 4.219 -12.824 283 1HD LYS 38 2HD LYS 38 -0.474 5.657 -11.048 284 2HD LYS 38 3HD LYS 38 0.856 4.509 -10.727 285 1HE LYS 38 2HE LYS 38 1.664 4.939 -13.083 286 2HE LYS 38 3HE LYS 38 0.344 6.110 -13.283 287 1HZ LYS 38 1HZ LYS 38 2.623 6.306 -11.423 288 2HZ LYS 38 2HZ LYS 38 2.293 7.283 -12.691 289 3HZ LYS 38 3HZ LYS 38 1.347 7.347 -11.359 290 H LYS 39 H LYS 39 -0.747 -0.347 -9.075 291 HA LYS 39 HA LYS 39 -2.868 0.308 -7.075 292 1HB LYS 39 2HB LYS 39 -2.879 -1.865 -9.176 293 2HB LYS 39 3HB LYS 39 -3.636 -2.157 -7.600 294 1HG LYS 39 2HG LYS 39 -5.207 -0.397 -7.853 295 2HG LYS 39 3HG LYS 39 -4.347 0.291 -9.229 296 1HD LYS 39 2HD LYS 39 -6.352 -0.912 -9.989 297 2HD LYS 39 3HD LYS 39 -4.860 -1.555 -10.655 298 1HE LYS 39 2HE LYS 39 -6.364 -3.376 -10.070 299 2HE LYS 39 3HE LYS 39 -4.909 -3.473 -9.078 300 1HZ LYS 39 1HZ LYS 39 -7.006 -3.816 -7.821 301 2HZ LYS 39 2HZ LYS 39 -6.167 -2.646 -7.193 302 3HZ LYS 39 3HZ LYS 39 -7.458 -2.281 -8.146 303 H VAL 40 H VAL 40 -2.707 -0.755 -5.099 304 HA VAL 40 HA VAL 40 -0.799 -2.962 -4.863 305 HB VAL 40 HB VAL 40 -1.194 -0.399 -3.280 306 1HG1 VAL 40 1HG1 VAL 40 -0.083 -1.418 -1.326 307 2HG1 VAL 40 2HG1 VAL 40 -1.754 -1.922 -1.649 308 3HG1 VAL 40 3HG1 VAL 40 -0.398 -3.025 -2.042 309 1HG2 VAL 40 1HG2 VAL 40 0.712 -0.720 -4.864 310 2HG2 VAL 40 2HG2 VAL 40 1.252 -0.459 -3.190 311 3HG2 VAL 40 3HG2 VAL 40 1.248 -2.096 -3.867 312 H CYS 41 H CYS 41 -1.665 -4.652 -3.830 313 HA CYS 41 HA CYS 41 -4.262 -4.263 -2.433 314 1HB CYS 41 2HB CYS 41 -5.087 -6.384 -3.131 315 2HB CYS 41 3HB CYS 41 -4.807 -5.393 -4.567 316 HG CYS 41 HG CYS 41 -2.777 -7.660 -3.269 317 H ILE 42 H ILE 42 -4.380 -5.256 -0.450 318 HA ILE 42 HA ILE 42 -1.967 -6.763 0.480 319 HB ILE 42 HB ILE 42 -3.287 -4.486 2.015 320 1HG1 ILE 42 2HG1 ILE 42 -0.819 -4.339 0.238 321 2HG1 ILE 42 3HG1 ILE 42 -2.340 -3.460 0.038 322 1HG2 ILE 42 1HG2 ILE 42 -1.244 -4.631 3.414 323 2HG2 ILE 42 2HG2 ILE 42 -2.073 -6.166 3.373 324 3HG2 ILE 42 3HG2 ILE 42 -0.625 -5.916 2.375 325 1HD1 ILE 42 1HD1 ILE 42 -0.330 -3.009 2.259 326 2HD1 ILE 42 2HD1 ILE 42 -0.744 -1.934 0.925 327 3HD1 ILE 42 3HD1 ILE 42 -1.947 -2.264 2.176 328 H GLU 43 H GLU 43 -2.427 -8.196 2.254 329 HA GLU 43 HA GLU 43 -5.233 -8.231 3.217 330 1HB GLU 43 2HB GLU 43 -4.706 -10.220 1.637 331 2HB GLU 43 3HB GLU 43 -3.602 -10.772 2.904 332 1HG GLU 43 2HG GLU 43 -5.561 -10.721 4.518 333 2HG GLU 43 3HG GLU 43 -6.619 -10.282 3.164 334 H SER 44 H SER 44 -5.281 -8.388 5.517 335 HA SER 44 HA SER 44 -2.830 -8.861 6.975 336 1HB SER 44 2HB SER 44 -2.609 -6.646 7.898 337 2HB SER 44 3HB SER 44 -2.519 -6.507 6.144 338 HG SER 44 HG SER 44 -4.635 -5.741 6.120 339 H GLU 45 H GLU 45 -3.244 -9.199 9.171 340 HA GLU 45 HA GLU 45 -6.096 -9.343 9.999 341 1HB GLU 45 2HB GLU 45 -3.562 -10.428 11.303 342 2HB GLU 45 3HB GLU 45 -5.225 -10.676 11.848 343 1HG GLU 45 2HG GLU 45 -5.746 -11.778 9.650 344 2HG GLU 45 3HG GLU 45 -4.037 -11.638 9.200 345 H HIS 46 H HIS 46 -5.767 -6.815 9.726 346 HA HIS 46 HA HIS 46 -5.982 -5.783 12.344 347 1HB HIS 46 2HB HIS 46 -4.102 -3.911 11.744 348 2HB HIS 46 3HB HIS 46 -3.849 -5.301 12.783 349 HD1 HIS 46 1HD HIS 46 -2.434 -7.332 11.820 350 HD2 HIS 46 2HD HIS 46 -2.505 -3.769 9.589 351 HE1 HIS 46 1HE HIS 46 -0.340 -7.350 10.313 352 H SER 47 H SER 47 -6.325 -3.292 12.174 353 HA SER 47 HA SER 47 -8.447 -2.947 10.293 354 1HB SER 47 2HB SER 47 -8.437 -1.738 12.417 355 2HB SER 47 3HB SER 47 -6.957 -0.864 11.959 356 HG SER 47 HG SER 47 -8.872 0.343 11.525 357 H MET 48 H MET 48 -8.532 -1.872 8.360 358 HA MET 48 HA MET 48 -6.262 -1.862 6.658 359 1HB MET 48 2HB MET 48 -8.833 -0.248 6.314 360 2HB MET 48 3HB MET 48 -7.699 -0.753 5.047 361 1HG MET 48 2HG MET 48 -8.167 -3.148 5.696 362 2HG MET 48 3HG MET 48 -9.430 -2.543 6.787 363 1HE MET 48 1HE MET 48 -11.167 -4.163 5.785 364 2HE MET 48 2HE MET 48 -11.458 -4.315 4.038 365 3HE MET 48 3HE MET 48 -9.887 -4.786 4.715 366 H ASP 49 H ASP 49 -7.740 0.662 8.671 367 HA ASP 49 HA ASP 49 -6.139 2.699 7.479 368 1HB ASP 49 2HB ASP 49 -8.248 3.307 8.606 369 2HB ASP 49 3HB ASP 49 -7.433 3.069 10.169 370 H THR 50 H THR 50 -5.311 0.256 9.730 371 HA THR 50 HA THR 50 -3.060 1.523 10.997 372 HB THR 50 HB THR 50 -3.202 -1.354 10.013 373 HG1 THR 50 1HG THR 50 -4.964 -1.292 11.098 374 1HG2 THR 50 1HG2 THR 50 -1.870 -0.089 12.449 375 2HG2 THR 50 2HG2 THR 50 -1.837 -1.810 12.011 376 3HG2 THR 50 3HG2 THR 50 -1.037 -0.618 10.968 377 H LEU 51 H LEU 51 -3.585 -0.208 7.890 378 HA LEU 51 HA LEU 51 -0.832 -0.004 7.034 379 1HB LEU 51 2HB LEU 51 -3.312 -0.449 5.333 380 2HB LEU 51 3HB LEU 51 -1.629 -0.757 4.893 381 HG LEU 51 HG LEU 51 -3.243 -2.168 7.124 382 1HD1 LEU 51 1HD1 LEU 51 -4.072 -2.778 4.997 383 2HD1 LEU 51 2HD1 LEU 51 -2.444 -2.978 4.322 384 3HD1 LEU 51 3HD1 LEU 51 -3.045 -4.120 5.537 385 1HD2 LEU 51 1HD2 LEU 51 -0.429 -2.733 6.109 386 2HD2 LEU 51 2HD2 LEU 51 -0.856 -2.149 7.734 387 3HD2 LEU 51 3HD2 LEU 51 -1.356 -3.760 7.222 388 H LEU 52 H LEU 52 -3.866 1.857 6.324 389 HA LEU 52 HA LEU 52 -2.644 3.721 4.584 390 1HB LEU 52 2HB LEU 52 -4.862 4.008 6.562 391 2HB LEU 52 3HB LEU 52 -4.317 5.322 5.565 392 HG LEU 52 HG LEU 52 -5.345 2.708 4.425 393 1HD1 LEU 52 1HD1 LEU 52 -7.120 3.864 5.666 394 2HD1 LEU 52 2HD1 LEU 52 -6.757 5.382 4.818 395 3HD1 LEU 52 3HD1 LEU 52 -7.410 3.989 3.932 396 1HD2 LEU 52 1HD2 LEU 52 -3.917 3.885 2.802 397 2HD2 LEU 52 2HD2 LEU 52 -5.588 4.216 2.354 398 3HD2 LEU 52 3HD2 LEU 52 -4.661 5.444 3.216 399 H ALA 53 H ALA 53 -3.023 3.931 8.173 400 HA ALA 53 HA ALA 53 -1.607 6.330 8.519 401 1HB ALA 53 1HB ALA 53 -1.822 3.975 10.448 402 2HB ALA 53 2HB ALA 53 -1.381 5.639 10.882 403 3HB ALA 53 3HB ALA 53 -3.011 5.284 10.283 404 H THR 54 H THR 54 -0.259 3.023 8.473 405 HA THR 54 HA THR 54 2.466 3.778 8.694 406 HB THR 54 HB THR 54 1.114 1.574 7.081 407 HG1 THR 54 1HG THR 54 2.321 1.656 9.632 408 1HG2 THR 54 1HG2 THR 54 3.232 0.449 7.062 409 2HG2 THR 54 2HG2 THR 54 3.371 1.952 6.194 410 3HG2 THR 54 3HG2 THR 54 4.042 1.828 7.842 411 H LEU 55 H LEU 55 0.587 3.280 5.592 412 HA LEU 55 HA LEU 55 2.944 3.949 4.164 413 1HB LEU 55 2HB LEU 55 1.779 3.144 2.281 414 2HB LEU 55 3HB LEU 55 1.335 2.171 3.643 415 HG LEU 55 HG LEU 55 -0.702 3.753 3.826 416 1HD1 LEU 55 1HD1 LEU 55 -0.499 3.927 0.873 417 2HD1 LEU 55 2HD1 LEU 55 -1.180 5.088 2.057 418 3HD1 LEU 55 3HD1 LEU 55 0.579 4.982 1.778 419 1HD2 LEU 55 1HD2 LEU 55 -0.818 1.329 3.279 420 2HD2 LEU 55 2HD2 LEU 55 -1.954 2.250 2.272 421 3HD2 LEU 55 3HD2 LEU 55 -0.407 1.688 1.595 422 H LYS 56 H LYS 56 -0.078 5.596 4.665 423 HA LYS 56 HA LYS 56 -0.354 7.832 3.285 424 1HB LYS 56 2HB LYS 56 -0.308 7.428 6.285 425 2HB LYS 56 3HB LYS 56 -0.489 9.054 5.706 426 1HG LYS 56 2HG LYS 56 -2.515 8.472 4.434 427 2HG LYS 56 3HG LYS 56 -2.430 6.824 5.033 428 1HD LYS 56 2HD LYS 56 -2.302 8.011 7.423 429 2HD LYS 56 3HD LYS 56 -2.832 9.421 6.550 430 1HE LYS 56 2HE LYS 56 -4.956 8.792 6.970 431 2HE LYS 56 3HE LYS 56 -4.741 7.565 5.734 432 1HZ LYS 56 1HZ LYS 56 -5.575 6.493 7.664 433 2HZ LYS 56 2HZ LYS 56 -4.020 6.080 7.651 434 3HZ LYS 56 3HZ LYS 56 -4.557 7.234 8.680 435 H LYS 57 H LYS 57 2.163 7.502 5.703 436 HA LYS 57 HA LYS 57 3.308 10.015 5.825 437 1HB LYS 57 2HB LYS 57 4.607 7.294 6.047 438 2HB LYS 57 3HB LYS 57 5.310 8.823 6.641 439 1HG LYS 57 2HG LYS 57 3.155 9.054 8.039 440 2HG LYS 57 3HG LYS 57 2.815 7.371 7.584 441 1HD LYS 57 2HD LYS 57 5.356 7.026 8.409 442 2HD LYS 57 3HD LYS 57 4.998 8.470 9.354 443 1HE LYS 57 2HE LYS 57 3.749 5.698 9.462 444 2HE LYS 57 3HE LYS 57 4.520 6.610 10.767 445 1HZ LYS 57 1HZ LYS 57 2.225 6.656 11.125 446 2HZ LYS 57 2HZ LYS 57 2.554 8.160 10.533 447 3HZ LYS 57 3HZ LYS 57 1.867 6.990 9.569 448 H THR 58 H THR 58 3.689 7.669 3.160 449 HA THR 58 HA THR 58 6.097 8.623 2.024 450 HB THR 58 HB THR 58 5.031 7.781 -0.135 451 HG1 THR 58 1HG THR 58 2.811 8.182 0.718 452 1HG2 THR 58 1HG2 THR 58 6.391 6.341 1.292 453 2HG2 THR 58 2HG2 THR 58 4.979 5.971 2.301 454 3HG2 THR 58 3HG2 THR 58 5.024 5.427 0.608 455 H GLY 59 H GLY 59 2.888 10.089 2.134 456 1HA GLY 59 2HA GLY 59 2.084 12.018 1.248 457 2HA GLY 59 3HA GLY 59 3.780 12.557 1.154 458 H LYS 60 H LYS 60 1.604 10.220 -0.514 459 HA LYS 60 HA LYS 60 2.363 11.306 -3.169 460 1HB LYS 60 2HB LYS 60 2.171 8.379 -2.313 461 2HB LYS 60 3HB LYS 60 2.338 8.918 -3.980 462 1HG LYS 60 2HG LYS 60 4.325 9.461 -1.719 463 2HG LYS 60 3HG LYS 60 4.478 8.139 -2.850 464 1HD LYS 60 2HD LYS 60 4.984 9.479 -4.678 465 2HD LYS 60 3HD LYS 60 4.295 10.939 -3.993 466 1HE LYS 60 2HE LYS 60 6.844 9.596 -2.984 467 2HE LYS 60 3HE LYS 60 6.731 11.007 -4.041 468 1HZ LYS 60 1HZ LYS 60 6.004 10.847 -1.193 469 2HZ LYS 60 2HZ LYS 60 6.988 11.918 -1.943 470 3HZ LYS 60 3HZ LYS 60 5.343 11.991 -2.117 471 H THR 61 H THR 61 0.793 10.659 -4.852 472 HA THR 61 HA THR 61 -1.940 10.887 -4.023 473 HB THR 61 HB THR 61 -1.785 10.151 -6.685 474 HG1 THR 61 1HG THR 61 0.132 10.915 -7.501 475 1HG2 THR 61 1HG2 THR 61 -3.026 12.086 -5.810 476 2HG2 THR 61 2HG2 THR 61 -1.495 12.938 -5.492 477 3HG2 THR 61 3HG2 THR 61 -1.986 12.578 -7.161 478 H VAL 62 H VAL 62 -1.464 9.012 -2.552 479 HA VAL 62 HA VAL 62 -2.393 6.475 -3.816 480 HB VAL 62 HB VAL 62 -0.155 6.157 -3.011 481 1HG1 VAL 62 1HG1 VAL 62 -1.103 7.125 -0.281 482 2HG1 VAL 62 2HG1 VAL 62 0.472 6.391 -0.640 483 3HG1 VAL 62 3HG1 VAL 62 0.046 7.949 -1.356 484 1HG2 VAL 62 1HG2 VAL 62 -1.888 4.355 -2.623 485 2HG2 VAL 62 2HG2 VAL 62 -0.466 4.265 -1.570 486 3HG2 VAL 62 3HG2 VAL 62 -2.002 4.894 -0.942 487 H SER 63 H SER 63 -4.116 5.350 -2.808 488 HA SER 63 HA SER 63 -5.021 6.127 -0.193 489 1HB SER 63 2HB SER 63 -6.062 7.976 -1.538 490 2HB SER 63 3HB SER 63 -6.941 6.747 -2.476 491 HG SER 63 HG SER 63 -8.159 7.569 -0.684 492 H TYR 64 H TYR 64 -7.302 5.031 0.080 493 HA TYR 64 HA TYR 64 -6.939 2.126 -0.572 494 1HB TYR 64 2HB TYR 64 -6.817 2.420 1.771 495 2HB TYR 64 3HB TYR 64 -8.087 3.646 1.761 496 HD1 TYR 64 HD1 TYR 64 -10.315 3.077 2.217 497 HD2 TYR 64 HD2 TYR 64 -7.533 -0.013 1.070 498 HE1 TYR 64 HE1 TYR 64 -12.113 1.399 2.400 499 HE2 TYR 64 HE2 TYR 64 -9.355 -1.687 1.221 500 HH TYR 64 HH TYR 64 -12.690 -0.816 2.156 501 H LEU 65 H LEU 65 -8.532 1.131 -1.767 502 HA LEU 65 HA LEU 65 -11.269 2.109 -1.762 503 1HB LEU 65 2HB LEU 65 -11.259 2.195 -4.322 504 2HB LEU 65 3HB LEU 65 -10.818 3.586 -3.362 505 HG LEU 65 HG LEU 65 -9.461 3.230 -5.347 506 1HD1 LEU 65 1HD1 LEU 65 -8.727 4.498 -3.256 507 2HD1 LEU 65 2HD1 LEU 65 -7.560 3.162 -3.105 508 3HD1 LEU 65 3HD1 LEU 65 -7.577 4.170 -4.547 509 1HD2 LEU 65 1HD2 LEU 65 -7.643 1.643 -5.494 510 2HD2 LEU 65 2HD2 LEU 65 -8.198 0.843 -4.016 511 3HD2 LEU 65 3HD2 LEU 65 -9.206 0.850 -5.486 512 H GLY 66 H GLY 66 -11.300 -0.150 -0.762 513 1HA GLY 66 2HA GLY 66 -13.222 -1.441 -1.714 514 2HA GLY 66 3HA GLY 66 -12.142 -1.963 -3.014 515 H LEU 67 H LEU 67 -13.480 -3.766 -1.276 516 HA LEU 67 HA LEU 67 -11.196 -5.110 -0.094 517 1HB LEU 67 2HB LEU 67 -12.164 -5.516 2.013 518 2HB LEU 67 3HB LEU 67 -12.122 -3.773 1.769 519 HG LEU 67 HG LEU 67 -14.587 -5.575 1.540 520 1HD1 LEU 67 1HD1 LEU 67 -13.794 -3.541 3.658 521 2HD1 LEU 67 2HD1 LEU 67 -15.293 -4.492 3.618 522 3HD1 LEU 67 3HD1 LEU 67 -13.740 -5.312 3.839 523 1HD2 LEU 67 1HD2 LEU 67 -15.845 -3.373 1.591 524 2HD2 LEU 67 2HD2 LEU 67 -14.306 -2.548 1.271 525 3HD2 LEU 67 3HD2 LEU 67 -14.995 -3.684 0.083 526 H GLU 68 H GLU 68 -11.310 -7.284 -0.204 527 HA GLU 68 HA GLU 68 -13.739 -8.773 -0.781 528 1HB GLU 68 2HB GLU 68 -12.985 -7.869 -2.970 529 2HB GLU 68 3HB GLU 68 -11.381 -8.505 -2.706 530 1HG GLU 68 2HG GLU 68 -12.515 -10.849 -2.534 531 2HG GLU 68 3HG GLU 68 -13.948 -10.058 -3.207 Start of MODEL 28 1 1H MET 1 H1 MET 1 -12.391 -8.916 4.453 2 2H MET 1 H2 MET 1 -12.743 -7.421 5.034 3 3H MET 1 H3 MET 1 -11.346 -7.791 4.175 4 HA MET 1 HA MET 1 -11.258 -7.394 6.676 5 1HB MET 1 2HB MET 1 -11.962 -10.342 6.767 6 2HB MET 1 3HB MET 1 -11.668 -9.213 8.096 7 1HG MET 1 2HG MET 1 -14.027 -9.392 6.211 8 2HG MET 1 3HG MET 1 -14.025 -9.486 7.971 9 1HE MET 1 1HE MET 1 -16.015 -7.766 6.017 10 2HE MET 1 2HE MET 1 -16.216 -7.894 7.785 11 3HE MET 1 3HE MET 1 -16.188 -6.295 7.004 12 HA PRO 2 HA PRO 2 -7.454 -10.041 5.695 13 1HB PRO 2 2HB PRO 2 -7.345 -11.465 3.337 14 2HB PRO 2 3HB PRO 2 -7.829 -12.140 4.912 15 1HG PRO 2 2HG PRO 2 -9.654 -11.103 2.715 16 2HG PRO 2 3HG PRO 2 -9.764 -12.656 3.592 17 1HD PRO 2 2HD PRO 2 -11.276 -10.596 4.362 18 2HD PRO 2 3HD PRO 2 -10.441 -11.575 5.593 19 H LYS 3 H LYS 3 -9.169 -8.940 2.627 20 HA LYS 3 HA LYS 3 -6.485 -7.929 1.835 21 1HB LYS 3 2HB LYS 3 -7.254 -9.899 0.610 22 2HB LYS 3 3HB LYS 3 -8.620 -8.967 0.001 23 1HG LYS 3 2HG LYS 3 -6.983 -7.373 -1.114 24 2HG LYS 3 3HG LYS 3 -5.671 -8.262 -0.339 25 1HD LYS 3 2HD LYS 3 -5.550 -9.126 -2.441 26 2HD LYS 3 3HD LYS 3 -6.539 -10.343 -1.641 27 1HE LYS 3 2HE LYS 3 -7.461 -8.116 -3.547 28 2HE LYS 3 3HE LYS 3 -7.433 -9.858 -3.858 29 1HZ LYS 3 1HZ LYS 3 -9.691 -9.300 -3.264 30 2HZ LYS 3 2HZ LYS 3 -9.075 -10.080 -2.026 31 3HZ LYS 3 3HZ LYS 3 -9.184 -8.444 -1.970 32 H HIS 4 H HIS 4 -6.209 -5.955 1.022 33 HA HIS 4 HA HIS 4 -8.529 -4.112 0.786 34 1HB HIS 4 2HB HIS 4 -5.885 -3.593 2.197 35 2HB HIS 4 3HB HIS 4 -7.262 -2.482 2.075 36 HD1 HIS 4 1HD HIS 4 -5.882 -5.180 4.280 37 HD2 HIS 4 2HD HIS 4 -9.646 -3.622 3.243 38 HE1 HIS 4 1HE HIS 4 -7.490 -5.933 6.090 39 H GLU 5 H GLU 5 -8.330 -2.669 -0.946 40 HA GLU 5 HA GLU 5 -5.860 -2.840 -2.617 41 1HB GLU 5 2HB GLU 5 -8.805 -2.647 -3.369 42 2HB GLU 5 3HB GLU 5 -7.473 -2.438 -4.502 43 1HG GLU 5 2HG GLU 5 -6.639 -4.739 -3.579 44 2HG GLU 5 3HG GLU 5 -8.241 -4.900 -2.858 45 H PHE 6 H PHE 6 -5.045 -1.005 -3.512 46 HA PHE 6 HA PHE 6 -6.309 1.594 -2.878 47 1HB PHE 6 2HB PHE 6 -3.374 0.918 -2.342 48 2HB PHE 6 3HB PHE 6 -4.201 2.384 -1.870 49 HD1 PHE 6 1HD PHE 6 -3.873 -1.276 -1.217 50 HD2 PHE 6 2HD PHE 6 -5.181 2.518 0.401 51 HE1 PHE 6 1HE PHE 6 -4.335 -2.346 0.950 52 HE2 PHE 6 2HE PHE 6 -5.757 1.395 2.511 53 HZ PHE 6 HZ PHE 6 -5.273 -1.013 2.833 54 H SER 7 H SER 7 -5.867 3.136 -4.473 55 HA SER 7 HA SER 7 -4.199 2.251 -6.779 56 1HB SER 7 2HB SER 7 -6.343 3.286 -7.384 57 2HB SER 7 3HB SER 7 -5.812 4.791 -6.590 58 HG SER 7 HG SER 7 -4.210 3.519 -8.577 59 H VAL 8 H VAL 8 -2.271 3.369 -7.268 60 HA VAL 8 HA VAL 8 -1.132 5.169 -5.205 61 HB VAL 8 HB VAL 8 0.010 2.529 -6.289 62 1HG1 VAL 8 1HG1 VAL 8 1.857 3.022 -4.692 63 2HG1 VAL 8 2HG1 VAL 8 1.695 4.353 -5.848 64 3HG1 VAL 8 3HG1 VAL 8 1.053 4.533 -4.207 65 1HG2 VAL 8 1HG2 VAL 8 -1.116 3.316 -3.563 66 2HG2 VAL 8 2HG2 VAL 8 -1.631 1.964 -4.597 67 3HG2 VAL 8 3HG2 VAL 8 -0.053 1.935 -3.791 68 H ASP 9 H ASP 9 -0.632 6.981 -6.560 69 HA ASP 9 HA ASP 9 0.193 6.405 -9.270 70 1HB ASP 9 2HB ASP 9 -0.740 8.634 -8.644 71 2HB ASP 9 3HB ASP 9 0.872 9.021 -7.975 72 H MET 10 H MET 10 1.756 4.713 -8.921 73 HA MET 10 HA MET 10 4.379 5.524 -7.991 74 1HB MET 10 2HB MET 10 3.521 3.247 -9.817 75 2HB MET 10 3HB MET 10 5.173 3.537 -9.248 76 1HG MET 10 2HG MET 10 4.609 2.243 -7.474 77 2HG MET 10 3HG MET 10 3.819 3.677 -6.859 78 1HE MET 10 1HE MET 10 2.614 1.086 -9.712 79 2HE MET 10 2HE MET 10 3.615 0.274 -8.473 80 3HE MET 10 3HE MET 10 1.868 -0.049 -8.548 81 H THR 11 H THR 11 4.550 7.572 -8.831 82 HA THR 11 HA THR 11 4.699 8.147 -11.604 83 HB THR 11 HB THR 11 6.173 9.762 -9.534 84 HG1 THR 11 1HG THR 11 3.380 9.254 -9.516 85 1HG2 THR 11 1HG2 THR 11 4.050 10.484 -11.608 86 2HG2 THR 11 2HG2 THR 11 4.998 11.619 -10.627 87 3HG2 THR 11 3HG2 THR 11 5.809 10.619 -11.851 88 H CYS 12 H CYS 12 7.018 6.839 -9.258 89 HA CYS 12 HA CYS 12 8.967 6.509 -11.483 90 1HB CYS 12 2HB CYS 12 9.801 8.305 -10.015 91 2HB CYS 12 3HB CYS 12 9.562 7.273 -8.582 92 HG CYS 12 HG CYS 12 12.092 7.303 -9.089 93 H GLY 13 H GLY 13 9.973 4.415 -11.344 94 1HA GLY 13 2HA GLY 13 8.549 2.237 -10.361 95 2HA GLY 13 3HA GLY 13 10.302 2.252 -10.629 96 H GLY 14 H GLY 14 11.074 4.174 -8.700 97 1HA GLY 14 2HA GLY 14 11.256 2.540 -6.396 98 2HA GLY 14 3HA GLY 14 11.784 4.234 -6.514 99 H CYS 15 H CYS 15 8.579 4.547 -7.299 100 HA CYS 15 HA CYS 15 7.622 5.237 -4.686 101 1HB CYS 15 2HB CYS 15 6.150 4.533 -7.198 102 2HB CYS 15 3HB CYS 15 5.392 4.994 -5.651 103 HG CYS 15 HG CYS 15 5.194 7.130 -6.855 104 H ALA 16 H ALA 16 7.772 2.206 -6.609 105 HA ALA 16 HA ALA 16 6.119 0.622 -4.907 106 1HB ALA 16 1HB ALA 16 6.795 -0.052 -7.214 107 2HB ALA 16 2HB ALA 16 8.467 -0.265 -6.646 108 3HB ALA 16 3HB ALA 16 7.176 -1.294 -6.003 109 H GLU 17 H GLU 17 9.729 1.141 -4.927 110 HA GLU 17 HA GLU 17 10.290 -0.267 -2.559 111 1HB GLU 17 2HB GLU 17 11.506 2.191 -3.867 112 2HB GLU 17 3HB GLU 17 12.085 1.574 -2.335 113 1HG GLU 17 2HG GLU 17 11.741 -0.622 -4.285 114 2HG GLU 17 3HG GLU 17 12.773 0.662 -4.904 115 H ALA 18 H ALA 18 9.092 3.117 -2.949 116 HA ALA 18 HA ALA 18 9.302 3.802 -0.208 117 1HB ALA 18 1HB ALA 18 7.688 5.542 -0.610 118 2HB ALA 18 2HB ALA 18 8.747 5.420 -2.033 119 3HB ALA 18 3HB ALA 18 7.095 4.759 -2.076 120 H VAL 19 H VAL 19 6.506 2.382 -1.964 121 HA VAL 19 HA VAL 19 4.870 2.046 0.329 122 HB VAL 19 HB VAL 19 4.910 0.416 -2.237 123 1HG1 VAL 19 1HG1 VAL 19 2.627 -0.255 -1.580 124 2HG1 VAL 19 2HG1 VAL 19 3.759 -0.799 -0.360 125 3HG1 VAL 19 3HG1 VAL 19 2.775 0.650 -0.064 126 1HG2 VAL 19 1HG2 VAL 19 3.152 2.752 -1.340 127 2HG2 VAL 19 2HG2 VAL 19 4.424 2.852 -2.569 128 3HG2 VAL 19 3HG2 VAL 19 3.003 1.847 -2.860 129 H SER 20 H SER 20 7.046 -0.319 -1.306 130 HA SER 20 HA SER 20 6.534 -2.459 0.420 131 1HB SER 20 2HB SER 20 7.760 -2.721 -1.711 132 2HB SER 20 3HB SER 20 9.055 -1.661 -1.147 133 HG SER 20 HG SER 20 8.487 -4.109 0.159 134 H ARG 21 H ARG 21 9.041 0.044 0.756 135 HA ARG 21 HA ARG 21 10.147 -1.034 3.156 136 1HB ARG 21 2HB ARG 21 10.248 1.760 1.969 137 2HB ARG 21 3HB ARG 21 11.187 1.228 3.377 138 1HG ARG 21 2HG ARG 21 12.252 -0.561 2.031 139 2HG ARG 21 3HG ARG 21 11.333 -0.075 0.609 140 1HD ARG 21 2HD ARG 21 12.385 2.223 0.804 141 2HD ARG 21 3HD ARG 21 13.406 1.548 2.101 142 HE ARG 21 HE ARG 21 13.386 0.127 -0.530 143 1HH1 ARG 21 2HH2 ARG 21 15.074 2.514 1.457 144 2HH1 ARG 21 1HH2 ARG 21 16.551 2.431 0.548 145 1HH2 ARG 21 2HH1 ARG 21 15.252 0.177 -1.863 146 2HH2 ARG 21 1HH1 ARG 21 16.676 1.001 -1.337 147 H VAL 22 H VAL 22 7.680 1.700 2.717 148 HA VAL 22 HA VAL 22 7.459 2.068 5.475 149 HB VAL 22 HB VAL 22 6.767 3.572 3.501 150 1HG1 VAL 22 1HG1 VAL 22 4.093 2.232 3.990 151 2HG1 VAL 22 2HG1 VAL 22 4.434 3.577 2.883 152 3HG1 VAL 22 3HG1 VAL 22 5.078 1.978 2.534 153 1HG2 VAL 22 1HG2 VAL 22 5.049 3.257 5.960 154 2HG2 VAL 22 2HG2 VAL 22 6.554 4.208 5.793 155 3HG2 VAL 22 3HG2 VAL 22 5.077 4.691 4.909 156 H LEU 23 H LEU 23 5.513 -0.104 3.291 157 HA LEU 23 HA LEU 23 3.900 -1.066 5.397 158 1HB LEU 23 2HB LEU 23 4.617 -2.107 2.646 159 2HB LEU 23 3HB LEU 23 3.734 -3.091 3.804 160 HG LEU 23 HG LEU 23 2.258 -2.009 2.192 161 1HD1 LEU 23 1HD1 LEU 23 1.367 -2.836 4.293 162 2HD1 LEU 23 2HD1 LEU 23 1.847 -1.346 5.140 163 3HD1 LEU 23 3HD1 LEU 23 0.592 -1.283 3.911 164 1HD2 LEU 23 1HD2 LEU 23 2.805 0.476 3.806 165 2HD2 LEU 23 2HD2 LEU 23 3.427 0.195 2.160 166 3HD2 LEU 23 3HD2 LEU 23 1.680 0.313 2.435 167 H ASN 24 H ASN 24 7.033 -2.316 4.127 168 HA ASN 24 HA ASN 24 7.239 -4.573 5.829 169 1HB ASN 24 2HB ASN 24 8.874 -4.382 4.151 170 2HB ASN 24 3HB ASN 24 9.212 -2.696 4.537 171 1HD2 ASN 24 1HD2 ASN 24 10.368 -2.141 6.400 172 2HD2 ASN 24 2HD2 ASN 24 11.546 -3.285 7.073 173 H LYS 25 H LYS 25 8.072 -1.144 6.422 174 HA LYS 25 HA LYS 25 9.111 -1.406 9.027 175 1HB LYS 25 2HB LYS 25 7.821 0.797 7.422 176 2HB LYS 25 3HB LYS 25 7.913 1.025 9.156 177 1HG LYS 25 2HG LYS 25 10.289 0.354 7.351 178 2HG LYS 25 3HG LYS 25 9.826 1.977 7.858 179 1HD LYS 25 2HD LYS 25 11.035 1.770 9.722 180 2HD LYS 25 3HD LYS 25 9.922 0.518 10.279 181 1HE LYS 25 2HE LYS 25 11.354 -1.188 9.001 182 2HE LYS 25 3HE LYS 25 12.491 0.124 8.660 183 1HZ LYS 25 1HZ LYS 25 13.140 -1.157 10.570 184 2HZ LYS 25 2HZ LYS 25 12.787 0.377 11.041 185 3HZ LYS 25 3HZ LYS 25 11.723 -0.846 11.337 186 H LEU 26 H LEU 26 5.748 -1.384 7.974 187 HA LEU 26 HA LEU 26 4.539 -1.061 10.490 188 1HB LEU 26 2HB LEU 26 3.585 -1.259 8.055 189 2HB LEU 26 3HB LEU 26 3.471 -2.968 8.338 190 HG LEU 26 HG LEU 26 1.478 -1.346 8.659 191 1HD1 LEU 26 1HD1 LEU 26 1.938 -3.597 10.625 192 2HD1 LEU 26 2HD1 LEU 26 0.382 -2.831 10.214 193 3HD1 LEU 26 3HD1 LEU 26 1.276 -3.723 8.972 194 1HD2 LEU 26 1HD2 LEU 26 1.023 -0.542 10.854 195 2HD2 LEU 26 2HD2 LEU 26 2.459 -1.327 11.538 196 3HD2 LEU 26 3HD2 LEU 26 2.636 0.061 10.442 197 H GLY 27 H GLY 27 5.839 -3.932 8.877 198 1HA GLY 27 2HA GLY 27 6.835 -5.184 11.045 199 2HA GLY 27 3HA GLY 27 5.126 -5.661 11.140 200 H GLY 28 H GLY 28 4.273 -7.142 9.671 201 1HA GLY 28 2HA GLY 28 6.097 -8.425 7.671 202 2HA GLY 28 3HA GLY 28 5.335 -9.387 8.949 203 H VAL 29 H VAL 29 3.756 -6.628 7.573 204 HA VAL 29 HA VAL 29 1.390 -7.946 6.728 205 HB VAL 29 HB VAL 29 1.475 -5.617 7.394 206 1HG1 VAL 29 1HG1 VAL 29 3.226 -5.082 4.960 207 2HG1 VAL 29 2HG1 VAL 29 2.545 -3.861 6.046 208 3HG1 VAL 29 3HG1 VAL 29 3.763 -4.982 6.633 209 1HG2 VAL 29 1HG2 VAL 29 0.264 -4.560 5.562 210 2HG2 VAL 29 2HG2 VAL 29 0.784 -5.824 4.439 211 3HG2 VAL 29 3HG2 VAL 29 -0.282 -6.221 5.810 212 H LYS 30 H LYS 30 0.744 -8.742 4.662 213 HA LYS 30 HA LYS 30 2.923 -8.989 2.669 214 1HB LYS 30 2HB LYS 30 1.297 -10.898 3.555 215 2HB LYS 30 3HB LYS 30 0.256 -10.301 2.260 216 1HG LYS 30 2HG LYS 30 3.174 -11.170 2.015 217 2HG LYS 30 3HG LYS 30 1.794 -12.185 1.614 218 1HD LYS 30 2HD LYS 30 1.308 -11.069 -0.368 219 2HD LYS 30 3HD LYS 30 1.988 -9.544 0.149 220 1HE LYS 30 2HE LYS 30 4.278 -10.449 0.049 221 2HE LYS 30 3HE LYS 30 3.618 -11.974 -0.602 222 1HZ LYS 30 1HZ LYS 30 2.623 -10.560 -2.392 223 2HZ LYS 30 2HZ LYS 30 3.408 -9.284 -1.824 224 3HZ LYS 30 3HZ LYS 30 4.261 -10.544 -2.447 225 H TYR 31 H TYR 31 3.024 -7.480 1.169 226 HA TYR 31 HA TYR 31 0.554 -6.237 0.046 227 1HB TYR 31 2HB TYR 31 2.087 -4.334 -0.566 228 2HB TYR 31 3HB TYR 31 1.691 -4.495 1.139 229 HD1 TYR 31 HD1 TYR 31 4.374 -5.254 -1.358 230 HD2 TYR 31 HD2 TYR 31 3.331 -5.079 2.782 231 HE1 TYR 31 HE1 TYR 31 6.784 -5.286 -0.763 232 HE2 TYR 31 HE2 TYR 31 5.742 -4.981 3.406 233 HH TYR 31 HH TYR 31 7.821 -4.142 2.324 234 H ASP 32 H ASP 32 0.537 -5.927 -2.210 235 HA ASP 32 HA ASP 32 2.728 -7.035 -3.839 236 1HB ASP 32 2HB ASP 32 -0.119 -8.026 -3.628 237 2HB ASP 32 3HB ASP 32 0.630 -7.972 -5.227 238 H ILE 33 H ILE 33 3.159 -5.693 -5.453 239 HA ILE 33 HA ILE 33 1.551 -3.195 -5.643 240 HB ILE 33 HB ILE 33 4.481 -3.632 -6.271 241 1HG1 ILE 33 2HG1 ILE 33 4.508 -2.109 -4.032 242 2HG1 ILE 33 3HG1 ILE 33 3.115 -3.108 -3.632 243 1HG2 ILE 33 1HG2 ILE 33 2.918 -1.083 -5.716 244 2HG2 ILE 33 2HG2 ILE 33 4.615 -1.233 -6.207 245 3HG2 ILE 33 3HG2 ILE 33 3.321 -1.692 -7.325 246 1HD1 ILE 33 1HD1 ILE 33 4.478 -5.136 -3.775 247 2HD1 ILE 33 2HD1 ILE 33 5.816 -4.225 -4.522 248 3HD1 ILE 33 3HD1 ILE 33 5.382 -3.930 -2.838 249 H ASP 34 H ASP 34 0.550 -2.837 -7.626 250 HA ASP 34 HA ASP 34 1.402 -4.503 -9.951 251 1HB ASP 34 2HB ASP 34 -0.957 -4.659 -9.194 252 2HB ASP 34 3HB ASP 34 -1.168 -2.946 -9.604 253 H LEU 35 H LEU 35 2.942 -3.454 -11.024 254 HA LEU 35 HA LEU 35 3.364 -0.647 -10.838 255 1HB LEU 35 2HB LEU 35 4.637 -2.880 -12.402 256 2HB LEU 35 3HB LEU 35 5.023 -1.214 -12.808 257 HG LEU 35 HG LEU 35 6.648 -2.309 -11.313 258 1HD1 LEU 35 1HD1 LEU 35 5.353 0.156 -10.076 259 2HD1 LEU 35 2HD1 LEU 35 7.008 -0.416 -9.821 260 3HD1 LEU 35 3HD1 LEU 35 6.507 0.144 -11.422 261 1HD2 LEU 35 1HD2 LEU 35 6.185 -2.619 -8.942 262 2HD2 LEU 35 2HD2 LEU 35 4.500 -2.131 -9.177 263 3HD2 LEU 35 3HD2 LEU 35 5.100 -3.630 -9.916 264 HA PRO 36 HA PRO 36 1.868 -0.238 -15.343 265 1HB PRO 36 2HB PRO 36 0.119 -2.113 -16.390 266 2HB PRO 36 3HB PRO 36 1.887 -2.095 -16.649 267 1HG PRO 36 2HG PRO 36 0.326 -3.707 -14.631 268 2HG PRO 36 3HG PRO 36 1.641 -4.265 -15.700 269 1HD PRO 36 2HD PRO 36 2.091 -3.659 -13.135 270 2HD PRO 36 3HD PRO 36 3.289 -3.189 -14.372 271 H ASN 37 H ASN 37 -0.442 -1.995 -13.097 272 HA ASN 37 HA ASN 37 -2.587 -0.219 -13.962 273 1HB ASN 37 2HB ASN 37 -2.531 -2.211 -11.677 274 2HB ASN 37 3HB ASN 37 -3.912 -1.259 -12.186 275 1HD2 ASN 37 1HD2 ASN 37 -1.666 -3.785 -13.315 276 2HD2 ASN 37 2HD2 ASN 37 -2.751 -4.414 -14.559 277 H LYS 38 H LYS 38 -0.139 -0.009 -11.334 278 HA LYS 38 HA LYS 38 0.321 1.701 -10.008 279 1HB LYS 38 2HB LYS 38 -1.634 3.338 -11.689 280 2HB LYS 38 3HB LYS 38 -0.597 3.934 -10.403 281 1HG LYS 38 2HG LYS 38 1.402 2.940 -11.650 282 2HG LYS 38 3HG LYS 38 0.311 2.464 -12.942 283 1HD LYS 38 2HD LYS 38 1.577 4.456 -13.505 284 2HD LYS 38 3HD LYS 38 -0.164 4.790 -13.497 285 1HE LYS 38 2HE LYS 38 -0.046 6.193 -11.666 286 2HE LYS 38 3HE LYS 38 1.258 5.255 -10.921 287 1HZ LYS 38 1HZ LYS 38 2.853 6.271 -12.203 288 2HZ LYS 38 2HZ LYS 38 1.733 7.065 -13.170 289 3HZ LYS 38 3HZ LYS 38 1.921 7.467 -11.595 290 H LYS 39 H LYS 39 -0.896 -0.260 -9.119 291 HA LYS 39 HA LYS 39 -2.611 0.874 -7.049 292 1HB LYS 39 2HB LYS 39 -3.124 -1.794 -8.477 293 2HB LYS 39 3HB LYS 39 -3.892 -1.280 -6.968 294 1HG LYS 39 2HG LYS 39 -5.029 0.564 -8.126 295 2HG LYS 39 3HG LYS 39 -4.226 0.131 -9.641 296 1HD LYS 39 2HD LYS 39 -6.520 -0.738 -9.580 297 2HD LYS 39 3HD LYS 39 -5.339 -2.055 -9.665 298 1HE LYS 39 2HE LYS 39 -5.621 -2.535 -7.255 299 2HE LYS 39 3HE LYS 39 -6.671 -1.120 -7.064 300 1HZ LYS 39 1HZ LYS 39 -8.294 -2.261 -8.427 301 2HZ LYS 39 2HZ LYS 39 -7.261 -3.536 -8.653 302 3HZ LYS 39 3HZ LYS 39 -7.832 -3.212 -7.172 303 H VAL 40 H VAL 40 -2.576 -0.446 -5.061 304 HA VAL 40 HA VAL 40 -0.510 -2.521 -4.875 305 HB VAL 40 HB VAL 40 -1.114 -0.035 -3.223 306 1HG1 VAL 40 1HG1 VAL 40 -0.035 -2.627 -2.128 307 2HG1 VAL 40 2HG1 VAL 40 0.126 -1.034 -1.330 308 3HG1 VAL 40 3HG1 VAL 40 -1.488 -1.687 -1.668 309 1HG2 VAL 40 1HG2 VAL 40 1.509 -1.426 -3.883 310 2HG2 VAL 40 2HG2 VAL 40 0.797 -0.128 -4.874 311 3HG2 VAL 40 3HG2 VAL 40 1.289 0.203 -3.211 312 H CYS 41 H CYS 41 -1.284 -4.261 -3.785 313 HA CYS 41 HA CYS 41 -3.965 -4.091 -2.536 314 1HB CYS 41 2HB CYS 41 -4.591 -6.234 -3.317 315 2HB CYS 41 3HB CYS 41 -4.081 -5.335 -4.759 316 HG CYS 41 HG CYS 41 -1.560 -6.321 -4.542 317 H ILE 42 H ILE 42 -4.064 -5.212 -0.563 318 HA ILE 42 HA ILE 42 -1.506 -6.295 0.479 319 HB ILE 42 HB ILE 42 -3.197 -4.231 1.926 320 1HG1 ILE 42 2HG1 ILE 42 -0.655 -3.804 0.289 321 2HG1 ILE 42 3HG1 ILE 42 -2.250 -3.087 0.004 322 1HG2 ILE 42 1HG2 ILE 42 -0.359 -5.171 2.464 323 2HG2 ILE 42 2HG2 ILE 42 -1.353 -4.126 3.496 324 3HG2 ILE 42 3HG2 ILE 42 -1.790 -5.816 3.299 325 1HD1 ILE 42 1HD1 ILE 42 -2.041 -1.900 2.224 326 2HD1 ILE 42 2HD1 ILE 42 -0.358 -2.482 2.275 327 3HD1 ILE 42 3HD1 ILE 42 -0.880 -1.401 0.979 328 H GLU 43 H GLU 43 -1.778 -7.993 1.784 329 HA GLU 43 HA GLU 43 -4.539 -8.771 2.596 330 1HB GLU 43 2HB GLU 43 -3.361 -10.217 0.834 331 2HB GLU 43 3HB GLU 43 -2.263 -10.716 2.134 332 1HG GLU 43 2HG GLU 43 -5.311 -10.969 2.192 333 2HG GLU 43 3HG GLU 43 -4.194 -12.268 1.762 334 H SER 44 H SER 44 -4.689 -8.207 4.653 335 HA SER 44 HA SER 44 -3.291 -9.759 6.456 336 1HB SER 44 2HB SER 44 -1.544 -7.991 6.410 337 2HB SER 44 3HB SER 44 -2.740 -6.791 6.941 338 HG SER 44 HG SER 44 -2.990 -8.085 8.840 339 H GLU 45 H GLU 45 -5.075 -10.393 7.600 340 HA GLU 45 HA GLU 45 -7.332 -8.634 7.995 341 1HB GLU 45 2HB GLU 45 -7.451 -11.136 7.809 342 2HB GLU 45 3HB GLU 45 -6.790 -11.250 9.449 343 1HG GLU 45 2HG GLU 45 -8.723 -10.104 10.361 344 2HG GLU 45 3HG GLU 45 -9.276 -9.620 8.750 345 H HIS 46 H HIS 46 -5.965 -6.857 8.747 346 HA HIS 46 HA HIS 46 -6.436 -6.693 11.637 347 1HB HIS 46 2HB HIS 46 -4.447 -5.492 12.162 348 2HB HIS 46 3HB HIS 46 -3.981 -7.025 11.438 349 HD1 HIS 46 1HD HIS 46 -4.569 -3.437 9.922 350 HD2 HIS 46 2HD HIS 46 -1.732 -6.543 10.247 351 HE1 HIS 46 1HE HIS 46 -2.410 -2.596 8.911 352 H SER 47 H SER 47 -6.319 -4.137 12.153 353 HA SER 47 HA SER 47 -8.507 -3.091 10.761 354 1HB SER 47 2HB SER 47 -7.766 -2.340 13.026 355 2HB SER 47 3HB SER 47 -6.456 -1.423 12.242 356 HG SER 47 HG SER 47 -8.361 -0.166 12.603 357 H MET 48 H MET 48 -8.822 -1.741 9.122 358 HA MET 48 HA MET 48 -7.018 -1.667 6.916 359 1HB MET 48 2HB MET 48 -9.412 0.151 7.532 360 2HB MET 48 3HB MET 48 -8.658 -0.110 5.950 361 1HG MET 48 2HG MET 48 -9.349 -2.464 6.003 362 2HG MET 48 3HG MET 48 -10.012 -2.267 7.625 363 1HE MET 48 1HE MET 48 -10.456 -1.341 3.858 364 2HE MET 48 2HE MET 48 -11.970 -0.406 3.900 365 3HE MET 48 3HE MET 48 -10.484 0.289 4.581 366 H ASP 49 H ASP 49 -8.004 0.843 9.292 367 HA ASP 49 HA ASP 49 -6.292 2.684 7.930 368 1HB ASP 49 2HB ASP 49 -8.361 3.418 9.195 369 2HB ASP 49 3HB ASP 49 -7.314 3.454 10.630 370 H THR 50 H THR 50 -5.461 0.263 10.186 371 HA THR 50 HA THR 50 -3.058 1.531 11.170 372 HB THR 50 HB THR 50 -3.621 -1.388 10.571 373 HG1 THR 50 1HG THR 50 -3.953 0.177 12.905 374 1HG2 THR 50 1HG2 THR 50 -1.892 -1.818 12.294 375 2HG2 THR 50 2HG2 THR 50 -1.229 -1.008 10.867 376 3HG2 THR 50 3HG2 THR 50 -1.525 -0.080 12.355 377 H LEU 51 H LEU 51 -3.944 -0.201 8.121 378 HA LEU 51 HA LEU 51 -1.256 -0.112 7.019 379 1HB LEU 51 2HB LEU 51 -3.945 -0.262 5.565 380 2HB LEU 51 3HB LEU 51 -2.335 -0.474 4.847 381 HG LEU 51 HG LEU 51 -3.581 -2.217 7.044 382 1HD1 LEU 51 1HD1 LEU 51 -4.842 -2.454 4.992 383 2HD1 LEU 51 2HD1 LEU 51 -3.354 -2.748 4.068 384 3HD1 LEU 51 3HD1 LEU 51 -3.889 -3.915 5.299 385 1HD2 LEU 51 1HD2 LEU 51 -1.079 -2.594 5.329 386 2HD2 LEU 51 2HD2 LEU 51 -1.073 -2.298 7.076 387 3HD2 LEU 51 3HD2 LEU 51 -1.747 -3.805 6.445 388 H LEU 52 H LEU 52 -4.246 1.852 6.461 389 HA LEU 52 HA LEU 52 -2.995 3.702 4.770 390 1HB LEU 52 2HB LEU 52 -5.374 3.898 6.539 391 2HB LEU 52 3HB LEU 52 -4.831 5.265 5.596 392 HG LEU 52 HG LEU 52 -5.389 2.562 4.360 393 1HD1 LEU 52 1HD1 LEU 52 -7.333 4.876 4.751 394 2HD1 LEU 52 2HD1 LEU 52 -7.642 3.422 3.776 395 3HD1 LEU 52 3HD1 LEU 52 -7.426 3.283 5.528 396 1HD2 LEU 52 1HD2 LEU 52 -5.298 5.421 3.251 397 2HD2 LEU 52 2HD2 LEU 52 -4.115 4.139 2.921 398 3HD2 LEU 52 3HD2 LEU 52 -5.762 3.998 2.312 399 H ALA 53 H ALA 53 -3.568 4.099 8.325 400 HA ALA 53 HA ALA 53 -2.189 6.487 8.685 401 1HB ALA 53 1HB ALA 53 -2.263 4.154 10.635 402 2HB ALA 53 2HB ALA 53 -1.912 5.846 11.029 403 3HB ALA 53 3HB ALA 53 -3.529 5.398 10.468 404 H THR 54 H THR 54 -0.737 3.237 8.449 405 HA THR 54 HA THR 54 1.940 4.213 8.899 406 HB THR 54 HB THR 54 0.948 1.751 7.395 407 HG1 THR 54 1HG THR 54 0.291 1.685 9.473 408 1HG2 THR 54 1HG2 THR 54 3.214 2.189 6.745 409 2HG2 THR 54 2HG2 THR 54 3.696 2.555 8.426 410 3HG2 THR 54 3HG2 THR 54 3.227 0.911 7.960 411 H LEU 55 H LEU 55 0.295 3.289 5.791 412 HA LEU 55 HA LEU 55 2.585 4.091 4.310 413 1HB LEU 55 2HB LEU 55 1.414 3.268 2.455 414 2HB LEU 55 3HB LEU 55 1.184 2.241 3.841 415 HG LEU 55 HG LEU 55 -1.029 3.655 4.113 416 1HD1 LEU 55 1HD1 LEU 55 -0.371 5.118 2.244 417 2HD1 LEU 55 2HD1 LEU 55 -0.354 3.721 1.171 418 3HD1 LEU 55 3HD1 LEU 55 -1.901 4.277 1.887 419 1HD2 LEU 55 1HD2 LEU 55 -2.181 1.874 2.806 420 2HD2 LEU 55 2HD2 LEU 55 -0.635 1.457 2.027 421 3HD2 LEU 55 3HD2 LEU 55 -0.849 1.185 3.763 422 H LYS 56 H LYS 56 -0.411 5.649 4.967 423 HA LYS 56 HA LYS 56 -0.630 7.915 3.520 424 1HB LYS 56 2HB LYS 56 -0.763 7.505 6.531 425 2HB LYS 56 3HB LYS 56 -0.907 9.127 5.907 426 1HG LYS 56 2HG LYS 56 -2.877 8.534 4.563 427 2HG LYS 56 3HG LYS 56 -2.858 6.908 5.222 428 1HD LYS 56 2HD LYS 56 -2.772 8.216 7.577 429 2HD LYS 56 3HD LYS 56 -3.280 9.568 6.605 430 1HE LYS 56 2HE LYS 56 -5.387 8.909 7.196 431 2HE LYS 56 3HE LYS 56 -5.205 7.848 5.802 432 1HZ LYS 56 1HZ LYS 56 -5.069 7.098 8.684 433 2HZ LYS 56 2HZ LYS 56 -5.993 6.490 7.543 434 3HZ LYS 56 3HZ LYS 56 -4.417 6.156 7.533 435 H LYS 57 H LYS 57 1.826 7.357 6.044 436 HA LYS 57 HA LYS 57 2.842 9.976 6.237 437 1HB LYS 57 2HB LYS 57 4.188 7.316 6.735 438 2HB LYS 57 3HB LYS 57 4.793 8.895 7.295 439 1HG LYS 57 2HG LYS 57 2.529 9.145 8.488 440 2HG LYS 57 3HG LYS 57 2.261 7.433 8.093 441 1HD LYS 57 2HD LYS 57 4.729 7.189 9.153 442 2HD LYS 57 3HD LYS 57 4.269 8.675 9.981 443 1HE LYS 57 2HE LYS 57 3.075 5.885 10.158 444 2HE LYS 57 3HE LYS 57 3.708 6.898 11.461 445 1HZ LYS 57 1HZ LYS 57 1.375 6.871 11.592 446 2HZ LYS 57 2HZ LYS 57 1.742 8.366 11.001 447 3HZ LYS 57 3HZ LYS 57 1.171 7.171 9.998 448 H THR 58 H THR 58 3.382 7.633 3.656 449 HA THR 58 HA THR 58 5.895 8.605 2.701 450 HB THR 58 HB THR 58 5.141 7.779 0.496 451 HG1 THR 58 1HG THR 58 2.716 7.056 1.760 452 1HG2 THR 58 1HG2 THR 58 4.551 5.914 2.816 453 2HG2 THR 58 2HG2 THR 58 4.813 5.421 1.128 454 3HG2 THR 58 3HG2 THR 58 6.121 6.198 2.047 455 H GLY 59 H GLY 59 2.580 9.829 2.449 456 1HA GLY 59 2HA GLY 59 1.734 11.813 1.817 457 2HA GLY 59 3HA GLY 59 3.378 12.472 1.727 458 H LYS 60 H LYS 60 2.404 9.638 -0.202 459 HA LYS 60 HA LYS 60 2.611 11.221 -2.721 460 1HB LYS 60 2HB LYS 60 2.908 8.303 -1.933 461 2HB LYS 60 3HB LYS 60 2.585 8.751 -3.603 462 1HG LYS 60 2HG LYS 60 5.003 8.421 -3.047 463 2HG LYS 60 3HG LYS 60 4.603 9.971 -3.825 464 1HD LYS 60 2HD LYS 60 4.768 11.170 -1.761 465 2HD LYS 60 3HD LYS 60 4.843 9.641 -0.846 466 1HE LYS 60 2HE LYS 60 7.069 9.196 -1.660 467 2HE LYS 60 3HE LYS 60 7.015 10.604 -2.741 468 1HZ LYS 60 1HZ LYS 60 6.952 12.036 -0.878 469 2HZ LYS 60 2HZ LYS 60 6.693 10.826 0.187 470 3HZ LYS 60 3HZ LYS 60 8.167 10.969 -0.563 471 H THR 61 H THR 61 1.078 10.605 -4.476 472 HA THR 61 HA THR 61 -1.622 10.720 -3.734 473 HB THR 61 HB THR 61 -0.450 9.861 -6.365 474 HG1 THR 61 1HG THR 61 -0.382 12.496 -5.330 475 1HG2 THR 61 1HG2 THR 61 -2.905 10.189 -6.253 476 2HG2 THR 61 2HG2 THR 61 -2.650 11.846 -5.650 477 3HG2 THR 61 3HG2 THR 61 -2.141 11.406 -7.298 478 H VAL 62 H VAL 62 -1.226 8.747 -2.289 479 HA VAL 62 HA VAL 62 -2.222 6.299 -3.664 480 HB VAL 62 HB VAL 62 -0.358 5.655 -2.410 481 1HG1 VAL 62 1HG1 VAL 62 -1.451 7.224 -0.040 482 2HG1 VAL 62 2HG1 VAL 62 -0.087 6.088 0.025 483 3HG1 VAL 62 3HG1 VAL 62 0.044 7.543 -0.952 484 1HG2 VAL 62 1HG2 VAL 62 -2.652 5.027 -0.517 485 2HG2 VAL 62 2HG2 VAL 62 -2.508 4.285 -2.118 486 3HG2 VAL 62 3HG2 VAL 62 -1.236 4.035 -0.920 487 H SER 63 H SER 63 -4.230 5.441 -3.094 488 HA SER 63 HA SER 63 -5.763 6.613 -0.895 489 1HB SER 63 2HB SER 63 -6.611 6.956 -3.808 490 2HB SER 63 3HB SER 63 -7.723 7.123 -2.437 491 HG SER 63 HG SER 63 -5.374 8.565 -2.190 492 H TYR 64 H TYR 64 -7.719 5.355 -0.522 493 HA TYR 64 HA TYR 64 -7.235 2.488 -0.998 494 1HB TYR 64 2HB TYR 64 -7.488 2.941 1.259 495 2HB TYR 64 3HB TYR 64 -8.689 4.198 0.999 496 HD1 TYR 64 HD1 TYR 64 -11.020 3.750 0.913 497 HD2 TYR 64 HD2 TYR 64 -8.193 0.492 1.025 498 HE1 TYR 64 HE1 TYR 64 -12.884 2.144 1.034 499 HE2 TYR 64 HE2 TYR 64 -10.065 -1.103 1.305 500 HH TYR 64 HH TYR 64 -13.487 -0.073 1.052 501 H LEU 65 H LEU 65 -8.505 1.213 -2.281 502 HA LEU 65 HA LEU 65 -11.321 1.783 -2.632 503 1HB LEU 65 2HB LEU 65 -11.031 1.385 -5.171 504 2HB LEU 65 3HB LEU 65 -10.978 2.990 -4.465 505 HG LEU 65 HG LEU 65 -9.389 2.621 -6.226 506 1HD1 LEU 65 1HD1 LEU 65 -7.709 3.929 -5.473 507 2HD1 LEU 65 2HD1 LEU 65 -9.053 4.300 -4.388 508 3HD1 LEU 65 3HD1 LEU 65 -7.752 3.209 -3.865 509 1HD2 LEU 65 1HD2 LEU 65 -8.776 0.319 -5.992 510 2HD2 LEU 65 2HD2 LEU 65 -7.359 1.356 -6.061 511 3HD2 LEU 65 3HD2 LEU 65 -7.883 0.686 -4.499 512 H GLY 66 H GLY 66 -11.188 -0.246 -1.288 513 1HA GLY 66 2HA GLY 66 -12.661 -2.078 -2.339 514 2HA GLY 66 3HA GLY 66 -11.156 -2.658 -3.062 515 H LEU 67 H LEU 67 -13.104 -3.642 -0.743 516 HA LEU 67 HA LEU 67 -11.024 -4.399 1.204 517 1HB LEU 67 2HB LEU 67 -12.151 -2.682 2.362 518 2HB LEU 67 3HB LEU 67 -13.661 -2.952 1.481 519 HG LEU 67 HG LEU 67 -14.023 -5.044 2.689 520 1HD1 LEU 67 1HD1 LEU 67 -11.664 -5.505 3.463 521 2HD1 LEU 67 2HD1 LEU 67 -11.718 -4.027 4.442 522 3HD1 LEU 67 3HD1 LEU 67 -12.775 -5.381 4.846 523 1HD2 LEU 67 1HD2 LEU 67 -13.761 -2.523 4.371 524 2HD2 LEU 67 2HD2 LEU 67 -15.139 -2.978 3.348 525 3HD2 LEU 67 3HD2 LEU 67 -14.752 -3.937 4.788 526 H GLU 68 H GLU 68 -11.134 -6.626 1.481 527 HA GLU 68 HA GLU 68 -13.591 -8.132 0.785 528 1HB GLU 68 2HB GLU 68 -12.030 -8.018 -1.203 529 2HB GLU 68 3HB GLU 68 -10.757 -8.654 -0.149 530 1HG GLU 68 2HG GLU 68 -12.156 -10.750 0.135 531 2HG GLU 68 3HG GLU 68 -13.255 -10.106 -1.109 Start of MODEL 29 1 1H MET 1 H1 MET 1 -6.064 -13.495 4.537 2 2H MET 1 H2 MET 1 -6.564 -14.444 5.800 3 3H MET 1 H3 MET 1 -7.323 -14.488 4.303 4 HA MET 1 HA MET 1 -8.619 -13.265 5.923 5 1HB MET 1 2HB MET 1 -6.479 -11.111 5.793 6 2HB MET 1 3HB MET 1 -7.773 -11.308 6.969 7 1HG MET 1 2HG MET 1 -5.160 -12.786 6.794 8 2HG MET 1 3HG MET 1 -5.822 -11.862 8.137 9 1HE MET 1 1HE MET 1 -4.442 -14.818 8.241 10 2HE MET 1 2HE MET 1 -4.980 -13.923 9.679 11 3HE MET 1 3HE MET 1 -5.500 -15.603 9.440 12 HA PRO 2 HA PRO 2 -9.768 -10.958 2.162 13 1HB PRO 2 2HB PRO 2 -10.953 -8.688 3.085 14 2HB PRO 2 3HB PRO 2 -11.787 -10.275 3.108 15 1HG PRO 2 2HG PRO 2 -10.295 -8.935 5.385 16 2HG PRO 2 3HG PRO 2 -11.925 -9.675 5.435 17 1HD PRO 2 2HD PRO 2 -9.775 -11.047 6.277 18 2HD PRO 2 3HD PRO 2 -11.004 -11.877 5.292 19 H LYS 3 H LYS 3 -9.012 -9.066 1.010 20 HA LYS 3 HA LYS 3 -6.722 -7.654 2.329 21 1HB LYS 3 2HB LYS 3 -5.878 -7.349 -0.076 22 2HB LYS 3 3HB LYS 3 -5.703 -8.956 0.663 23 1HG LYS 3 2HG LYS 3 -7.612 -9.796 -0.369 24 2HG LYS 3 3HG LYS 3 -8.102 -8.162 -0.932 25 1HD LYS 3 2HD LYS 3 -6.033 -8.277 -2.456 26 2HD LYS 3 3HD LYS 3 -5.937 -9.994 -2.023 27 1HE LYS 3 2HE LYS 3 -8.196 -8.486 -3.430 28 2HE LYS 3 3HE LYS 3 -7.285 -9.863 -4.052 29 1HZ LYS 3 1HZ LYS 3 -9.244 -9.942 -1.804 30 2HZ LYS 3 2HZ LYS 3 -9.499 -10.431 -3.346 31 3HZ LYS 3 3HZ LYS 3 -8.428 -11.239 -2.402 32 H HIS 4 H HIS 4 -6.421 -5.468 1.725 33 HA HIS 4 HA HIS 4 -8.952 -4.004 1.131 34 1HB HIS 4 2HB HIS 4 -6.457 -3.174 2.653 35 2HB HIS 4 3HB HIS 4 -7.945 -2.239 2.497 36 HD1 HIS 4 1HD HIS 4 -10.188 -3.980 3.465 37 HD2 HIS 4 2HD HIS 4 -6.264 -4.367 4.936 38 HE1 HIS 4 1HE HIS 4 -10.361 -5.194 5.700 39 H GLU 5 H GLU 5 -8.984 -2.716 -0.732 40 HA GLU 5 HA GLU 5 -6.650 -2.760 -2.441 41 1HB GLU 5 2HB GLU 5 -9.618 -2.360 -2.600 42 2HB GLU 5 3HB GLU 5 -8.687 -1.393 -3.725 43 1HG GLU 5 2HG GLU 5 -8.042 -4.315 -3.358 44 2HG GLU 5 3HG GLU 5 -9.388 -3.782 -4.361 45 H PHE 6 H PHE 6 -5.624 -1.093 -3.373 46 HA PHE 6 HA PHE 6 -6.254 1.691 -2.657 47 1HB PHE 6 2HB PHE 6 -3.493 0.425 -2.261 48 2HB PHE 6 3HB PHE 6 -3.880 2.113 -2.030 49 HD1 PHE 6 1HD PHE 6 -4.512 -1.330 -0.705 50 HD2 PHE 6 2HD PHE 6 -4.492 2.897 0.176 51 HE1 PHE 6 1HE PHE 6 -4.815 -1.822 1.693 52 HE2 PHE 6 2HE PHE 6 -4.640 2.382 2.578 53 HZ PHE 6 HZ PHE 6 -4.894 0.033 3.355 54 H SER 7 H SER 7 -5.878 3.070 -4.252 55 HA SER 7 HA SER 7 -4.370 2.106 -6.640 56 1HB SER 7 2HB SER 7 -6.721 3.967 -6.243 57 2HB SER 7 3HB SER 7 -5.614 4.123 -7.553 58 HG SER 7 HG SER 7 -7.356 2.672 -8.098 59 H VAL 8 H VAL 8 -2.668 3.348 -7.362 60 HA VAL 8 HA VAL 8 -1.583 5.291 -5.398 61 HB VAL 8 HB VAL 8 -0.247 2.945 -6.849 62 1HG1 VAL 8 1HG1 VAL 8 0.696 4.784 -4.606 63 2HG1 VAL 8 2HG1 VAL 8 1.538 3.299 -5.115 64 3HG1 VAL 8 3HG1 VAL 8 1.362 4.630 -6.247 65 1HG2 VAL 8 1HG2 VAL 8 -0.180 1.888 -4.558 66 2HG2 VAL 8 2HG2 VAL 8 -1.290 3.144 -3.992 67 3HG2 VAL 8 3HG2 VAL 8 -1.806 1.977 -5.227 68 H ASP 9 H ASP 9 0.178 6.662 -6.375 69 HA ASP 9 HA ASP 9 0.438 6.325 -9.275 70 1HB ASP 9 2HB ASP 9 -0.599 8.532 -8.936 71 2HB ASP 9 3HB ASP 9 0.756 9.011 -7.899 72 H MET 10 H MET 10 2.494 6.645 -9.994 73 HA MET 10 HA MET 10 4.762 6.275 -8.166 74 1HB MET 10 2HB MET 10 3.864 4.034 -10.060 75 2HB MET 10 3HB MET 10 5.390 4.096 -9.171 76 1HG MET 10 2HG MET 10 3.898 4.411 -7.058 77 2HG MET 10 3HG MET 10 2.574 3.832 -8.054 78 1HE MET 10 1HE MET 10 3.054 0.126 -8.154 79 2HE MET 10 2HE MET 10 1.899 1.450 -7.925 80 3HE MET 10 3HE MET 10 2.936 1.419 -9.382 81 H THR 11 H THR 11 5.898 7.936 -8.981 82 HA THR 11 HA THR 11 5.845 8.684 -11.770 83 HB THR 11 HB THR 11 7.620 10.302 -10.738 84 HG1 THR 11 1HG THR 11 7.556 10.298 -8.459 85 1HG2 THR 11 1HG2 THR 11 5.257 10.948 -11.128 86 2HG2 THR 11 2HG2 THR 11 4.781 10.207 -9.590 87 3HG2 THR 11 3HG2 THR 11 5.849 11.626 -9.603 88 H CYS 12 H CYS 12 8.011 6.936 -9.529 89 HA CYS 12 HA CYS 12 9.619 6.022 -11.864 90 1HB CYS 12 2HB CYS 12 10.938 7.740 -10.607 91 2HB CYS 12 3HB CYS 12 10.679 6.818 -9.107 92 HG CYS 12 HG CYS 12 12.164 5.895 -11.908 93 H GLY 13 H GLY 13 10.379 3.811 -11.477 94 1HA GLY 13 2HA GLY 13 8.610 1.996 -10.284 95 2HA GLY 13 3HA GLY 13 10.328 1.692 -10.604 96 H GLY 14 H GLY 14 11.447 3.673 -8.923 97 1HA GLY 14 2HA GLY 14 11.607 2.379 -6.461 98 2HA GLY 14 3HA GLY 14 12.139 4.044 -6.768 99 H CYS 15 H CYS 15 8.988 4.486 -7.479 100 HA CYS 15 HA CYS 15 8.188 5.396 -4.895 101 1HB CYS 15 2HB CYS 15 7.152 6.275 -6.893 102 2HB CYS 15 3HB CYS 15 6.419 4.679 -7.216 103 HG CYS 15 HG CYS 15 4.589 6.273 -6.126 104 H ALA 16 H ALA 16 7.800 2.322 -6.720 105 HA ALA 16 HA ALA 16 6.053 1.027 -4.852 106 1HB ALA 16 1HB ALA 16 8.057 -0.247 -6.775 107 2HB ALA 16 2HB ALA 16 6.666 -1.030 -6.009 108 3HB ALA 16 3HB ALA 16 6.406 0.248 -7.211 109 H GLU 17 H GLU 17 9.645 1.187 -5.173 110 HA GLU 17 HA GLU 17 10.239 -0.448 -2.922 111 1HB GLU 17 2HB GLU 17 11.701 2.083 -3.796 112 2HB GLU 17 3HB GLU 17 12.201 0.938 -2.560 113 1HG GLU 17 2HG GLU 17 12.458 -0.841 -4.194 114 2HG GLU 17 3HG GLU 17 11.928 0.251 -5.489 115 H ALA 18 H ALA 18 9.484 3.076 -3.148 116 HA ALA 18 HA ALA 18 9.895 3.739 -0.453 117 1HB ALA 18 1HB ALA 18 7.681 4.953 -2.142 118 2HB ALA 18 2HB ALA 18 8.537 5.663 -0.779 119 3HB ALA 18 3HB ALA 18 9.405 5.377 -2.303 120 H VAL 19 H VAL 19 6.838 2.732 -2.021 121 HA VAL 19 HA VAL 19 5.225 2.519 0.275 122 HB VAL 19 HB VAL 19 5.226 0.818 -2.269 123 1HG1 VAL 19 1HG1 VAL 19 2.899 0.270 -1.724 124 2HG1 VAL 19 2HG1 VAL 19 3.987 -0.377 -0.501 125 3HG1 VAL 19 3HG1 VAL 19 3.047 1.099 -0.164 126 1HG2 VAL 19 1HG2 VAL 19 4.825 3.270 -2.638 127 2HG2 VAL 19 2HG2 VAL 19 3.383 2.302 -2.959 128 3HG2 VAL 19 3HG2 VAL 19 3.519 3.216 -1.443 129 H SER 20 H SER 20 7.245 0.001 -1.302 130 HA SER 20 HA SER 20 6.768 -2.061 0.490 131 1HB SER 20 2HB SER 20 7.986 -2.185 -1.719 132 2HB SER 20 3HB SER 20 9.432 -1.564 -0.911 133 HG SER 20 HG SER 20 9.409 -3.383 0.437 134 H ARG 21 H ARG 21 9.263 0.514 0.812 135 HA ARG 21 HA ARG 21 10.559 -0.661 3.019 136 1HB ARG 21 2HB ARG 21 10.386 2.345 2.673 137 2HB ARG 21 3HB ARG 21 11.666 1.361 3.391 138 1HG ARG 21 2HG ARG 21 11.636 0.336 0.838 139 2HG ARG 21 3HG ARG 21 11.072 2.000 0.566 140 1HD ARG 21 2HD ARG 21 13.161 2.814 1.753 141 2HD ARG 21 3HD ARG 21 13.697 1.141 1.780 142 HE ARG 21 HE ARG 21 14.089 1.131 -0.508 143 1HH1 ARG 21 2HH2 ARG 21 12.435 4.124 0.343 144 2HH1 ARG 21 1HH2 ARG 21 12.797 4.926 -1.157 145 1HH2 ARG 21 2HH1 ARG 21 14.415 2.098 -2.580 146 2HH2 ARG 21 1HH1 ARG 21 14.023 3.760 -2.823 147 H VAL 22 H VAL 22 7.884 1.861 3.063 148 HA VAL 22 HA VAL 22 7.761 1.892 5.870 149 HB VAL 22 HB VAL 22 7.054 3.766 4.621 150 1HG1 VAL 22 1HG1 VAL 22 4.901 3.684 3.319 151 2HG1 VAL 22 2HG1 VAL 22 6.243 2.837 2.544 152 3HG1 VAL 22 3HG1 VAL 22 4.977 1.928 3.398 153 1HG2 VAL 22 1HG2 VAL 22 4.602 2.415 5.726 154 2HG2 VAL 22 2HG2 VAL 22 5.873 3.158 6.748 155 3HG2 VAL 22 3HG2 VAL 22 4.906 4.166 5.631 156 H LEU 23 H LEU 23 5.907 -0.034 3.376 157 HA LEU 23 HA LEU 23 4.231 -1.224 5.348 158 1HB LEU 23 2HB LEU 23 4.971 -1.898 2.494 159 2HB LEU 23 3HB LEU 23 4.196 -3.116 3.481 160 HG LEU 23 HG LEU 23 2.524 -2.052 2.225 161 1HD1 LEU 23 1HD1 LEU 23 0.930 -1.603 3.924 162 2HD1 LEU 23 2HD1 LEU 23 2.091 -2.726 4.659 163 3HD1 LEU 23 3HD1 LEU 23 2.138 -0.996 5.052 164 1HD2 LEU 23 1HD2 LEU 23 3.633 0.108 1.926 165 2HD2 LEU 23 2HD2 LEU 23 1.940 0.285 2.430 166 3HD2 LEU 23 3HD2 LEU 23 3.248 0.532 3.612 167 H ASN 24 H ASN 24 7.501 -2.202 4.215 168 HA ASN 24 HA ASN 24 7.547 -4.613 5.780 169 1HB ASN 24 2HB ASN 24 9.651 -2.831 4.500 170 2HB ASN 24 3HB ASN 24 10.070 -4.107 5.630 171 1HD2 ASN 24 1HD2 ASN 24 8.140 -3.626 2.663 172 2HD2 ASN 24 2HD2 ASN 24 8.402 -5.249 2.035 173 H LYS 25 H LYS 25 8.256 -1.173 6.494 174 HA LYS 25 HA LYS 25 9.131 -1.634 9.198 175 1HB LYS 25 2HB LYS 25 8.177 0.708 7.588 176 2HB LYS 25 3HB LYS 25 7.857 0.787 9.321 177 1HG LYS 25 2HG LYS 25 9.993 1.820 8.844 178 2HG LYS 25 3HG LYS 25 10.183 0.391 9.867 179 1HD LYS 25 2HD LYS 25 10.808 -0.927 7.781 180 2HD LYS 25 3HD LYS 25 10.745 0.594 6.873 181 1HE LYS 25 2HE LYS 25 12.535 1.540 8.292 182 2HE LYS 25 3HE LYS 25 12.523 0.095 9.317 183 1HZ LYS 25 1HZ LYS 25 13.278 0.136 6.473 184 2HZ LYS 25 2HZ LYS 25 14.311 0.035 7.749 185 3HZ LYS 25 3HZ LYS 25 13.262 -1.193 7.447 186 H LEU 26 H LEU 26 5.857 -1.258 7.815 187 HA LEU 26 HA LEU 26 4.519 -1.382 10.311 188 1HB LEU 26 2HB LEU 26 3.763 -0.782 7.934 189 2HB LEU 26 3HB LEU 26 3.338 -2.453 7.708 190 HG LEU 26 HG LEU 26 1.491 -0.821 8.360 191 1HD1 LEU 26 1HD1 LEU 26 1.237 -3.277 8.455 192 2HD1 LEU 26 2HD1 LEU 26 1.795 -3.252 10.144 193 3HD1 LEU 26 3HD1 LEU 26 0.287 -2.433 9.695 194 1HD2 LEU 26 1HD2 LEU 26 1.110 -0.228 10.636 195 2HD2 LEU 26 2HD2 LEU 26 2.487 -1.170 11.213 196 3HD2 LEU 26 3HD2 LEU 26 2.757 0.307 10.263 197 H GLY 27 H GLY 27 5.314 -3.929 7.951 198 1HA GLY 27 2HA GLY 27 6.736 -5.564 8.791 199 2HA GLY 27 3HA GLY 27 5.911 -5.465 10.335 200 H GLY 28 H GLY 28 3.583 -6.537 10.312 201 1HA GLY 28 2HA GLY 28 4.087 -9.262 9.304 202 2HA GLY 28 3HA GLY 28 2.831 -8.728 10.428 203 H VAL 29 H VAL 29 3.770 -7.977 7.037 204 HA VAL 29 HA VAL 29 0.866 -7.923 6.321 205 HB VAL 29 HB VAL 29 1.880 -5.728 7.004 206 1HG1 VAL 29 1HG1 VAL 29 3.672 -6.133 4.577 207 2HG1 VAL 29 2HG1 VAL 29 3.401 -4.590 5.396 208 3HG1 VAL 29 3HG1 VAL 29 4.170 -5.925 6.253 209 1HG2 VAL 29 1HG2 VAL 29 1.125 -5.713 4.074 210 2HG2 VAL 29 2HG2 VAL 29 -0.045 -5.933 5.396 211 3HG2 VAL 29 3HG2 VAL 29 0.889 -4.449 5.305 212 H LYS 30 H LYS 30 0.282 -8.309 4.147 213 HA LYS 30 HA LYS 30 2.544 -8.736 2.258 214 1HB LYS 30 2HB LYS 30 1.396 -10.871 2.585 215 2HB LYS 30 3HB LYS 30 -0.176 -10.101 2.333 216 1HG LYS 30 2HG LYS 30 0.538 -11.353 0.379 217 2HG LYS 30 3HG LYS 30 0.346 -9.652 -0.014 218 1HD LYS 30 2HD LYS 30 2.560 -9.391 -0.570 219 2HD LYS 30 3HD LYS 30 3.115 -10.299 0.848 220 1HE LYS 30 2HE LYS 30 3.830 -11.476 -1.078 221 2HE LYS 30 3HE LYS 30 2.607 -12.418 -0.212 222 1HZ LYS 30 1HZ LYS 30 0.993 -11.363 -1.924 223 2HZ LYS 30 2HZ LYS 30 2.243 -10.912 -2.754 224 3HZ LYS 30 3HZ LYS 30 2.027 -12.523 -2.511 225 H TYR 31 H TYR 31 2.600 -7.196 0.792 226 HA TYR 31 HA TYR 31 0.190 -5.563 0.145 227 1HB TYR 31 2HB TYR 31 1.684 -3.632 -0.051 228 2HB TYR 31 3HB TYR 31 1.553 -4.237 1.594 229 HD1 TYR 31 HD1 TYR 31 3.855 -3.277 -0.982 230 HD2 TYR 31 HD2 TYR 31 3.425 -5.794 2.474 231 HE1 TYR 31 HE1 TYR 31 6.253 -3.875 -1.111 232 HE2 TYR 31 HE2 TYR 31 5.833 -6.380 2.360 233 HH TYR 31 HH TYR 31 7.967 -5.025 -0.155 234 H ASP 32 H ASP 32 -0.327 -6.520 -1.755 235 HA ASP 32 HA ASP 32 1.812 -7.351 -3.634 236 1HB ASP 32 2HB ASP 32 -1.094 -8.022 -3.209 237 2HB ASP 32 3HB ASP 32 -0.412 -8.209 -4.827 238 H ILE 33 H ILE 33 2.451 -6.014 -5.121 239 HA ILE 33 HA ILE 33 0.943 -3.520 -5.634 240 HB ILE 33 HB ILE 33 3.849 -4.139 -6.224 241 1HG1 ILE 33 2HG1 ILE 33 3.797 -2.416 -3.995 242 2HG1 ILE 33 3HG1 ILE 33 2.632 -3.673 -3.584 243 1HG2 ILE 33 1HG2 ILE 33 4.128 -1.708 -6.187 244 2HG2 ILE 33 2HG2 ILE 33 2.976 -2.216 -7.431 245 3HG2 ILE 33 3HG2 ILE 33 2.385 -1.500 -5.917 246 1HD1 ILE 33 1HD1 ILE 33 4.371 -5.402 -4.176 247 2HD1 ILE 33 2HD1 ILE 33 5.511 -4.078 -4.533 248 3HD1 ILE 33 3HD1 ILE 33 4.901 -4.306 -2.893 249 H ASP 34 H ASP 34 0.014 -3.271 -7.598 250 HA ASP 34 HA ASP 34 1.075 -4.687 -10.000 251 1HB ASP 34 2HB ASP 34 -1.380 -4.707 -9.756 252 2HB ASP 34 3HB ASP 34 -1.377 -2.934 -9.678 253 H LEU 35 H LEU 35 2.700 -3.600 -10.913 254 HA LEU 35 HA LEU 35 3.260 -0.845 -10.229 255 1HB LEU 35 2HB LEU 35 5.035 -2.554 -10.467 256 2HB LEU 35 3HB LEU 35 4.710 -2.634 -12.192 257 HG LEU 35 HG LEU 35 5.219 -0.097 -12.259 258 1HD1 LEU 35 1HD1 LEU 35 5.084 0.376 -9.813 259 2HD1 LEU 35 2HD1 LEU 35 6.425 -0.749 -9.521 260 3HD1 LEU 35 3HD1 LEU 35 6.687 0.740 -10.441 261 1HD2 LEU 35 1HD2 LEU 35 6.775 -1.809 -13.100 262 2HD2 LEU 35 2HD2 LEU 35 7.654 -0.495 -12.299 263 3HD2 LEU 35 3HD2 LEU 35 7.424 -2.043 -11.460 264 HA PRO 36 HA PRO 36 2.498 0.014 -14.909 265 1HB PRO 36 2HB PRO 36 0.676 -1.634 -16.251 266 2HB PRO 36 3HB PRO 36 2.452 -1.742 -16.353 267 1HG PRO 36 2HG PRO 36 0.599 -3.331 -14.578 268 2HG PRO 36 3HG PRO 36 1.960 -3.931 -15.567 269 1HD PRO 36 2HD PRO 36 2.289 -3.534 -12.962 270 2HD PRO 36 3HD PRO 36 3.562 -2.982 -14.085 271 H ASN 37 H ASN 37 -0.289 -1.617 -13.259 272 HA ASN 37 HA ASN 37 -2.107 0.540 -14.130 273 1HB ASN 37 2HB ASN 37 -2.608 -1.850 -12.321 274 2HB ASN 37 3HB ASN 37 -3.816 -0.733 -12.929 275 1HD2 ASN 37 1HD2 ASN 37 -2.141 -3.669 -13.628 276 2HD2 ASN 37 2HD2 ASN 37 -2.611 -3.780 -15.323 277 H LYS 38 H LYS 38 0.213 0.277 -11.689 278 HA LYS 38 HA LYS 38 0.625 1.321 -9.811 279 1HB LYS 38 2HB LYS 38 -1.256 3.512 -10.746 280 2HB LYS 38 3HB LYS 38 0.148 3.617 -9.669 281 1HG LYS 38 2HG LYS 38 1.512 2.738 -11.730 282 2HG LYS 38 3HG LYS 38 0.069 3.153 -12.677 283 1HD LYS 38 2HD LYS 38 0.198 5.479 -11.563 284 2HD LYS 38 3HD LYS 38 1.756 4.942 -10.907 285 1HE LYS 38 2HE LYS 38 2.491 4.526 -13.342 286 2HE LYS 38 3HE LYS 38 1.003 5.366 -13.820 287 1HZ LYS 38 1HZ LYS 38 1.888 7.205 -12.285 288 2HZ LYS 38 2HZ LYS 38 3.321 6.438 -12.361 289 3HZ LYS 38 3HZ LYS 38 2.648 7.013 -13.747 290 H LYS 39 H LYS 39 -0.676 -0.573 -8.911 291 HA LYS 39 HA LYS 39 -2.653 0.568 -7.013 292 1HB LYS 39 2HB LYS 39 -3.130 -1.918 -8.724 293 2HB LYS 39 3HB LYS 39 -4.016 -1.506 -7.266 294 1HG LYS 39 2HG LYS 39 -4.495 0.795 -8.457 295 2HG LYS 39 3HG LYS 39 -3.891 0.016 -9.905 296 1HD LYS 39 2HD LYS 39 -6.370 -0.014 -9.712 297 2HD LYS 39 3HD LYS 39 -5.657 -1.619 -9.893 298 1HE LYS 39 2HE LYS 39 -7.549 -1.401 -8.176 299 2HE LYS 39 3HE LYS 39 -6.095 -2.227 -7.648 300 1HZ LYS 39 1HZ LYS 39 -6.727 0.605 -6.995 301 2HZ LYS 39 2HZ LYS 39 -6.847 -0.776 -6.016 302 3HZ LYS 39 3HZ LYS 39 -5.413 -0.245 -6.468 303 H VAL 40 H VAL 40 -2.856 -0.594 -5.007 304 HA VAL 40 HA VAL 40 -0.903 -2.727 -4.509 305 HB VAL 40 HB VAL 40 -1.375 -0.026 -3.215 306 1HG1 VAL 40 1HG1 VAL 40 -0.213 -0.850 -1.179 307 2HG1 VAL 40 2HG1 VAL 40 -1.867 -1.430 -1.458 308 3HG1 VAL 40 3HG1 VAL 40 -0.477 -2.515 -1.779 309 1HG2 VAL 40 1HG2 VAL 40 0.537 -0.356 -4.760 310 2HG2 VAL 40 2HG2 VAL 40 1.052 0.052 -3.116 311 3HG2 VAL 40 3HG2 VAL 40 1.165 -1.629 -3.687 312 H CYS 41 H CYS 41 -1.875 -4.337 -3.461 313 HA CYS 41 HA CYS 41 -4.493 -3.834 -2.125 314 1HB CYS 41 2HB CYS 41 -5.394 -5.893 -2.859 315 2HB CYS 41 3HB CYS 41 -4.863 -5.025 -4.308 316 HG CYS 41 HG CYS 41 -2.457 -6.305 -4.252 317 H ILE 42 H ILE 42 -4.504 -4.585 -0.036 318 HA ILE 42 HA ILE 42 -1.954 -5.877 0.847 319 HB ILE 42 HB ILE 42 -3.427 -3.776 2.404 320 1HG1 ILE 42 2HG1 ILE 42 -1.130 -3.415 0.422 321 2HG1 ILE 42 3HG1 ILE 42 -2.752 -2.711 0.318 322 1HG2 ILE 42 1HG2 ILE 42 -0.566 -4.811 2.535 323 2HG2 ILE 42 2HG2 ILE 42 -1.294 -3.643 3.642 324 3HG2 ILE 42 3HG2 ILE 42 -1.873 -5.305 3.629 325 1HD1 ILE 42 1HD1 ILE 42 -1.374 -0.957 1.070 326 2HD1 ILE 42 2HD1 ILE 42 -2.245 -1.501 2.516 327 3HD1 ILE 42 3HD1 ILE 42 -0.552 -1.982 2.250 328 H GLU 43 H GLU 43 -2.123 -7.594 2.057 329 HA GLU 43 HA GLU 43 -4.722 -8.322 3.328 330 1HB GLU 43 2HB GLU 43 -3.677 -9.705 1.315 331 2HB GLU 43 3HB GLU 43 -2.630 -10.371 2.562 332 1HG GLU 43 2HG GLU 43 -5.664 -10.345 2.939 333 2HG GLU 43 3HG GLU 43 -4.889 -11.544 1.913 334 H SER 44 H SER 44 -4.535 -8.315 5.586 335 HA SER 44 HA SER 44 -2.363 -9.589 6.796 336 1HB SER 44 2HB SER 44 -1.306 -7.322 6.556 337 2HB SER 44 3HB SER 44 -2.676 -6.626 7.431 338 HG SER 44 HG SER 44 -0.582 -8.294 8.365 339 H GLU 45 H GLU 45 -2.703 -9.365 9.224 340 HA GLU 45 HA GLU 45 -5.547 -9.268 10.072 341 1HB GLU 45 2HB GLU 45 -2.973 -9.772 11.637 342 2HB GLU 45 3HB GLU 45 -4.616 -9.811 12.289 343 1HG GLU 45 2HG GLU 45 -5.197 -11.676 10.774 344 2HG GLU 45 3HG GLU 45 -3.557 -11.660 10.095 345 H HIS 46 H HIS 46 -2.723 -7.249 9.636 346 HA HIS 46 HA HIS 46 -3.220 -5.265 11.654 347 1HB HIS 46 2HB HIS 46 -2.038 -4.928 8.866 348 2HB HIS 46 3HB HIS 46 -1.999 -3.731 10.150 349 HD1 HIS 46 1HD HIS 46 -0.683 -4.916 12.538 350 HD2 HIS 46 2HD HIS 46 0.308 -5.887 8.577 351 HE1 HIS 46 1HE HIS 46 1.764 -5.657 12.542 352 H SER 47 H SER 47 -4.958 -3.923 11.801 353 HA SER 47 HA SER 47 -7.132 -4.090 10.066 354 1HB SER 47 2HB SER 47 -7.206 -3.222 12.423 355 2HB SER 47 3HB SER 47 -6.503 -1.701 11.833 356 HG SER 47 HG SER 47 -9.010 -2.849 11.201 357 H MET 48 H MET 48 -7.939 -2.938 8.412 358 HA MET 48 HA MET 48 -6.596 -1.790 6.399 359 1HB MET 48 2HB MET 48 -9.039 -2.429 6.655 360 2HB MET 48 3HB MET 48 -9.313 -0.881 7.464 361 1HG MET 48 2HG MET 48 -8.668 0.309 5.434 362 2HG MET 48 3HG MET 48 -8.100 -1.202 4.710 363 1HE MET 48 1HE MET 48 -11.234 0.873 5.808 364 2HE MET 48 2HE MET 48 -12.569 -0.209 5.350 365 3HE MET 48 3HE MET 48 -11.515 -0.637 6.715 366 H ASP 49 H ASP 49 -7.954 -0.022 9.235 367 HA ASP 49 HA ASP 49 -7.090 2.527 8.260 368 1HB ASP 49 2HB ASP 49 -8.943 2.376 9.847 369 2HB ASP 49 3HB ASP 49 -7.826 1.799 11.104 370 H THR 50 H THR 50 -5.696 0.293 10.581 371 HA THR 50 HA THR 50 -3.473 1.804 11.407 372 HB THR 50 HB THR 50 -3.429 -1.209 10.930 373 HG1 THR 50 1HG THR 50 -4.210 -1.119 13.196 374 1HG2 THR 50 1HG2 THR 50 -2.081 0.568 13.013 375 2HG2 THR 50 2HG2 THR 50 -1.948 -1.200 12.900 376 3HG2 THR 50 3HG2 THR 50 -1.273 -0.182 11.620 377 H LEU 51 H LEU 51 -3.842 -0.375 8.564 378 HA LEU 51 HA LEU 51 -1.242 0.152 7.453 379 1HB LEU 51 2HB LEU 51 -3.834 -0.456 5.974 380 2HB LEU 51 3HB LEU 51 -2.211 -0.469 5.274 381 HG LEU 51 HG LEU 51 -3.040 -2.236 7.639 382 1HD1 LEU 51 1HD1 LEU 51 -3.328 -4.055 5.951 383 2HD1 LEU 51 2HD1 LEU 51 -4.537 -2.769 5.829 384 3HD1 LEU 51 3HD1 LEU 51 -3.204 -2.829 4.665 385 1HD2 LEU 51 1HD2 LEU 51 -0.605 -2.003 7.338 386 2HD2 LEU 51 2HD2 LEU 51 -1.121 -3.627 6.870 387 3HD2 LEU 51 3HD2 LEU 51 -0.757 -2.419 5.621 388 H LEU 52 H LEU 52 -4.419 1.601 6.542 389 HA LEU 52 HA LEU 52 -3.690 3.542 4.825 390 1HB LEU 52 2HB LEU 52 -5.913 2.894 6.377 391 2HB LEU 52 3HB LEU 52 -5.632 4.556 6.839 392 HG LEU 52 HG LEU 52 -5.864 3.546 3.965 393 1HD1 LEU 52 1HD1 LEU 52 -7.836 2.926 5.188 394 2HD1 LEU 52 2HD1 LEU 52 -7.989 4.553 5.885 395 3HD1 LEU 52 3HD1 LEU 52 -8.230 4.309 4.140 396 1HD2 LEU 52 1HD2 LEU 52 -6.225 6.295 5.201 397 2HD2 LEU 52 2HD2 LEU 52 -4.795 5.778 4.270 398 3HD2 LEU 52 3HD2 LEU 52 -6.379 5.903 3.473 399 H ALA 53 H ALA 53 -3.868 4.151 8.340 400 HA ALA 53 HA ALA 53 -2.795 6.747 8.431 401 1HB ALA 53 1HB ALA 53 -2.675 4.519 10.508 402 2HB ALA 53 2HB ALA 53 -2.454 6.254 10.821 403 3HB ALA 53 3HB ALA 53 -4.030 5.642 10.276 404 H THR 54 H THR 54 -1.121 3.609 8.437 405 HA THR 54 HA THR 54 1.482 4.784 8.925 406 HB THR 54 HB THR 54 0.746 2.086 7.714 407 HG1 THR 54 1HG THR 54 -0.013 2.244 9.780 408 1HG2 THR 54 1HG2 THR 54 3.016 2.822 7.170 409 2HG2 THR 54 2HG2 THR 54 3.348 3.128 8.892 410 3HG2 THR 54 3HG2 THR 54 3.023 1.478 8.312 411 H LEU 55 H LEU 55 -0.002 3.383 5.951 412 HA LEU 55 HA LEU 55 2.179 4.186 4.336 413 1HB LEU 55 2HB LEU 55 0.953 3.461 2.463 414 2HB LEU 55 3HB LEU 55 1.076 2.332 3.776 415 HG LEU 55 HG LEU 55 -1.323 2.920 4.377 416 1HD1 LEU 55 1HD1 LEU 55 -0.894 4.304 1.766 417 2HD1 LEU 55 2HD1 LEU 55 -2.528 3.729 2.228 418 3HD1 LEU 55 3HD1 LEU 55 -1.673 4.916 3.232 419 1HD2 LEU 55 1HD2 LEU 55 -0.629 1.616 1.720 420 2HD2 LEU 55 2HD2 LEU 55 -0.539 0.835 3.314 421 3HD2 LEU 55 3HD2 LEU 55 -2.111 1.328 2.666 422 H LYS 56 H LYS 56 -0.773 5.842 5.034 423 HA LYS 56 HA LYS 56 -0.840 7.973 3.347 424 1HB LYS 56 2HB LYS 56 -1.283 7.626 6.295 425 2HB LYS 56 3HB LYS 56 -1.113 9.289 5.785 426 1HG LYS 56 2HG LYS 56 -2.959 9.221 4.324 427 2HG LYS 56 3HG LYS 56 -3.062 7.448 4.381 428 1HD LYS 56 2HD LYS 56 -3.812 7.410 6.594 429 2HD LYS 56 3HD LYS 56 -3.298 9.074 6.934 430 1HE LYS 56 2HE LYS 56 -5.115 9.996 5.649 431 2HE LYS 56 3HE LYS 56 -5.511 8.432 4.935 432 1HZ LYS 56 1HZ LYS 56 -7.038 9.002 6.689 433 2HZ LYS 56 2HZ LYS 56 -6.192 7.670 7.132 434 3HZ LYS 56 3HZ LYS 56 -5.827 9.130 7.789 435 H LYS 57 H LYS 57 1.584 7.479 5.933 436 HA LYS 57 HA LYS 57 2.680 10.120 5.786 437 1HB LYS 57 2HB LYS 57 3.699 7.509 6.922 438 2HB LYS 57 3HB LYS 57 4.569 9.051 7.094 439 1HG LYS 57 2HG LYS 57 2.556 10.031 8.169 440 2HG LYS 57 3HG LYS 57 1.721 8.476 8.012 441 1HD LYS 57 2HD LYS 57 4.354 8.744 9.516 442 2HD LYS 57 3HD LYS 57 2.791 9.085 10.284 443 1HE LYS 57 2HE LYS 57 1.960 6.844 9.728 444 2HE LYS 57 3HE LYS 57 3.493 6.426 8.940 445 1HZ LYS 57 1HZ LYS 57 3.354 5.568 11.158 446 2HZ LYS 57 2HZ LYS 57 4.566 6.676 11.079 447 3HZ LYS 57 3HZ LYS 57 3.132 7.065 11.795 448 H THR 58 H THR 58 3.001 7.589 3.468 449 HA THR 58 HA THR 58 5.631 8.319 2.489 450 HB THR 58 HB THR 58 4.891 7.364 0.376 451 HG1 THR 58 1HG THR 58 2.366 6.897 1.578 452 1HG2 THR 58 1HG2 THR 58 4.377 5.082 1.136 453 2HG2 THR 58 2HG2 THR 58 5.681 5.837 2.082 454 3HG2 THR 58 3HG2 THR 58 4.051 5.705 2.769 455 H GLY 59 H GLY 59 2.415 9.780 2.306 456 1HA GLY 59 2HA GLY 59 1.638 11.654 1.315 457 2HA GLY 59 3HA GLY 59 3.309 12.256 1.289 458 H LYS 60 H LYS 60 2.103 9.310 -0.370 459 HA LYS 60 HA LYS 60 2.285 10.717 -3.011 460 1HB LYS 60 2HB LYS 60 2.290 7.722 -2.547 461 2HB LYS 60 3HB LYS 60 2.604 8.584 -4.040 462 1HG LYS 60 2HG LYS 60 4.361 8.057 -1.677 463 2HG LYS 60 3HG LYS 60 4.699 7.838 -3.377 464 1HD LYS 60 2HD LYS 60 4.883 10.327 -1.686 465 2HD LYS 60 3HD LYS 60 6.148 9.529 -2.573 466 1HE LYS 60 2HE LYS 60 5.763 10.702 -4.473 467 2HE LYS 60 3HE LYS 60 4.024 10.476 -4.400 468 1HZ LYS 60 1HZ LYS 60 3.974 12.229 -2.677 469 2HZ LYS 60 2HZ LYS 60 5.572 12.494 -2.910 470 3HZ LYS 60 3HZ LYS 60 4.513 12.773 -4.139 471 H THR 61 H THR 61 0.639 9.811 -4.613 472 HA THR 61 HA THR 61 -1.945 10.164 -3.611 473 HB THR 61 HB THR 61 -1.215 8.950 -6.284 474 HG1 THR 61 1HG THR 61 -0.738 11.662 -5.655 475 1HG2 THR 61 1HG2 THR 61 -3.014 11.292 -5.492 476 2HG2 THR 61 2HG2 THR 61 -2.790 10.651 -7.136 477 3HG2 THR 61 3HG2 THR 61 -3.573 9.652 -5.897 478 H VAL 62 H VAL 62 -0.922 7.933 -2.190 479 HA VAL 62 HA VAL 62 -2.136 5.477 -3.290 480 HB VAL 62 HB VAL 62 -0.109 5.129 -2.208 481 1HG1 VAL 62 1HG1 VAL 62 -1.124 6.526 0.299 482 2HG1 VAL 62 2HG1 VAL 62 0.367 5.586 0.151 483 3HG1 VAL 62 3HG1 VAL 62 0.184 7.068 -0.772 484 1HG2 VAL 62 1HG2 VAL 62 -2.271 4.224 -0.272 485 2HG2 VAL 62 2HG2 VAL 62 -1.925 3.470 -1.835 486 3HG2 VAL 62 3HG2 VAL 62 -0.693 3.468 -0.566 487 H SER 63 H SER 63 -4.292 5.989 -3.550 488 HA SER 63 HA SER 63 -5.812 6.990 -1.187 489 1HB SER 63 2HB SER 63 -6.298 7.861 -3.482 490 2HB SER 63 3HB SER 63 -6.772 6.228 -3.967 491 HG SER 63 HG SER 63 -7.990 7.964 -2.084 492 H TYR 64 H TYR 64 -7.823 5.640 -0.677 493 HA TYR 64 HA TYR 64 -7.167 2.717 -0.582 494 1HB TYR 64 2HB TYR 64 -6.804 3.573 1.621 495 2HB TYR 64 3HB TYR 64 -8.236 4.599 1.540 496 HD1 TYR 64 HD1 TYR 64 -7.306 0.976 1.210 497 HD2 TYR 64 HD2 TYR 64 -10.281 3.845 2.416 498 HE1 TYR 64 HE1 TYR 64 -9.020 -0.757 1.103 499 HE2 TYR 64 HE2 TYR 64 -11.995 2.070 2.392 500 HH TYR 64 HH TYR 64 -11.217 -1.217 1.240 501 H LEU 65 H LEU 65 -8.747 1.484 -1.579 502 HA LEU 65 HA LEU 65 -11.530 2.360 -1.640 503 1HB LEU 65 2HB LEU 65 -11.513 2.279 -4.197 504 2HB LEU 65 3HB LEU 65 -11.095 3.739 -3.334 505 HG LEU 65 HG LEU 65 -9.720 3.286 -5.293 506 1HD1 LEU 65 1HD1 LEU 65 -9.003 4.640 -3.219 507 2HD1 LEU 65 2HD1 LEU 65 -7.772 3.345 -3.107 508 3HD1 LEU 65 3HD1 LEU 65 -7.908 4.336 -4.554 509 1HD2 LEU 65 1HD2 LEU 65 -8.450 1.005 -3.791 510 2HD2 LEU 65 2HD2 LEU 65 -9.414 0.901 -5.288 511 3HD2 LEU 65 3HD2 LEU 65 -7.865 1.734 -5.288 512 H GLY 66 H GLY 66 -11.478 0.134 -0.482 513 1HA GLY 66 2HA GLY 66 -13.343 -1.313 -1.284 514 2HA GLY 66 3HA GLY 66 -12.303 -1.812 -2.626 515 H LEU 67 H LEU 67 -13.197 -3.883 -1.144 516 HA LEU 67 HA LEU 67 -10.739 -4.889 -0.186 517 1HB LEU 67 2HB LEU 67 -11.319 -5.520 2.043 518 2HB LEU 67 3HB LEU 67 -11.514 -3.773 1.911 519 HG LEU 67 HG LEU 67 -13.773 -5.830 1.899 520 1HD1 LEU 67 1HD1 LEU 67 -12.829 -3.882 4.044 521 2HD1 LEU 67 2HD1 LEU 67 -14.230 -4.967 4.156 522 3HD1 LEU 67 3HD1 LEU 67 -12.597 -5.644 4.059 523 1HD2 LEU 67 1HD2 LEU 67 -15.219 -3.796 2.310 524 2HD2 LEU 67 2HD2 LEU 67 -13.831 -2.775 1.885 525 3HD2 LEU 67 3HD2 LEU 67 -14.554 -3.873 0.682 526 H GLU 68 H GLU 68 -10.727 -7.183 -0.083 527 HA GLU 68 HA GLU 68 -13.132 -8.708 -0.754 528 1HB GLU 68 2HB GLU 68 -12.292 -7.706 -2.904 529 2HB GLU 68 3HB GLU 68 -10.735 -8.464 -2.630 530 1HG GLU 68 2HG GLU 68 -12.039 -10.723 -2.546 531 2HG GLU 68 3HG GLU 68 -13.413 -9.810 -3.183 Start of MODEL 30 1 1H MET 1 H1 MET 1 -10.647 -7.403 4.495 2 2H MET 1 H2 MET 1 -11.949 -6.848 5.157 3 3H MET 1 H3 MET 1 -10.585 -5.835 5.001 4 HA MET 1 HA MET 1 -9.865 -6.325 6.925 5 1HB MET 1 2HB MET 1 -12.040 -6.663 7.715 6 2HB MET 1 3HB MET 1 -12.070 -8.359 7.280 7 1HG MET 1 2HG MET 1 -10.213 -8.794 8.861 8 2HG MET 1 3HG MET 1 -10.022 -7.063 9.146 9 1HE MET 1 1HE MET 1 -10.119 -9.117 11.459 10 2HE MET 1 2HE MET 1 -9.992 -7.355 11.695 11 3HE MET 1 3HE MET 1 -11.208 -8.287 12.602 12 HA PRO 2 HA PRO 2 -7.920 -10.744 5.728 13 1HB PRO 2 2HB PRO 2 -9.927 -10.942 3.444 14 2HB PRO 2 3HB PRO 2 -8.910 -12.232 4.139 15 1HG PRO 2 2HG PRO 2 -11.477 -11.971 4.946 16 2HG PRO 2 3HG PRO 2 -10.196 -12.223 6.170 17 1HD PRO 2 2HD PRO 2 -11.607 -9.672 5.443 18 2HD PRO 2 3HD PRO 2 -11.025 -10.275 7.030 19 H LYS 3 H LYS 3 -9.482 -8.733 3.124 20 HA LYS 3 HA LYS 3 -6.773 -8.001 2.171 21 1HB LYS 3 2HB LYS 3 -7.318 -9.880 0.854 22 2HB LYS 3 3HB LYS 3 -8.994 -9.392 0.661 23 1HG LYS 3 2HG LYS 3 -8.329 -7.535 -0.795 24 2HG LYS 3 3HG LYS 3 -6.613 -7.949 -0.580 25 1HD LYS 3 2HD LYS 3 -6.879 -10.071 -1.666 26 2HD LYS 3 3HD LYS 3 -8.642 -9.952 -1.672 27 1HE LYS 3 2HE LYS 3 -6.859 -7.963 -3.152 28 2HE LYS 3 3HE LYS 3 -7.474 -9.449 -3.896 29 1HZ LYS 3 1HZ LYS 3 -8.884 -7.471 -4.320 30 2HZ LYS 3 2HZ LYS 3 -9.714 -8.686 -3.523 31 3HZ LYS 3 3HZ LYS 3 -9.274 -7.411 -2.720 32 H HIS 4 H HIS 4 -6.583 -6.117 1.012 33 HA HIS 4 HA HIS 4 -8.904 -4.297 0.814 34 1HB HIS 4 2HB HIS 4 -6.269 -3.626 2.190 35 2HB HIS 4 3HB HIS 4 -7.620 -2.505 1.917 36 HD1 HIS 4 1HD HIS 4 -6.205 -4.543 4.600 37 HD2 HIS 4 2HD HIS 4 -10.053 -3.708 3.131 38 HE1 HIS 4 1HE HIS 4 -7.820 -5.108 6.469 39 H GLU 5 H GLU 5 -8.635 -2.785 -0.928 40 HA GLU 5 HA GLU 5 -6.140 -3.041 -2.556 41 1HB GLU 5 2HB GLU 5 -9.036 -2.678 -3.410 42 2HB GLU 5 3HB GLU 5 -7.643 -2.498 -4.472 43 1HG GLU 5 2HG GLU 5 -7.004 -4.886 -3.577 44 2HG GLU 5 3HG GLU 5 -8.685 -4.972 -3.042 45 H PHE 6 H PHE 6 -5.280 -1.226 -3.491 46 HA PHE 6 HA PHE 6 -6.397 1.410 -2.764 47 1HB PHE 6 2HB PHE 6 -3.497 0.546 -2.314 48 2HB PHE 6 3HB PHE 6 -4.196 2.072 -1.825 49 HD1 PHE 6 1HD PHE 6 -4.077 -1.585 -1.167 50 HD2 PHE 6 2HD PHE 6 -5.295 2.259 0.394 51 HE1 PHE 6 1HE PHE 6 -4.642 -2.632 0.981 52 HE2 PHE 6 2HE PHE 6 -5.945 1.168 2.512 53 HZ PHE 6 HZ PHE 6 -5.548 -1.252 2.855 54 H SER 7 H SER 7 -5.878 3.014 -4.290 55 HA SER 7 HA SER 7 -4.245 2.156 -6.633 56 1HB SER 7 2HB SER 7 -6.388 3.234 -7.193 57 2HB SER 7 3HB SER 7 -5.816 4.715 -6.385 58 HG SER 7 HG SER 7 -4.228 3.441 -8.381 59 H VAL 8 H VAL 8 -2.256 3.117 -7.014 60 HA VAL 8 HA VAL 8 -1.104 4.829 -4.877 61 HB VAL 8 HB VAL 8 0.017 2.240 -6.067 62 1HG1 VAL 8 1HG1 VAL 8 1.756 2.513 -4.416 63 2HG1 VAL 8 2HG1 VAL 8 1.611 4.084 -5.233 64 3HG1 VAL 8 3HG1 VAL 8 0.893 3.864 -3.632 65 1HG2 VAL 8 1HG2 VAL 8 -0.260 1.387 -3.694 66 2HG2 VAL 8 2HG2 VAL 8 -1.349 2.736 -3.387 67 3HG2 VAL 8 3HG2 VAL 8 -1.770 1.529 -4.618 68 H ASP 9 H ASP 9 -0.530 6.641 -6.098 69 HA ASP 9 HA ASP 9 0.225 6.541 -8.871 70 1HB ASP 9 2HB ASP 9 -0.684 8.513 -7.776 71 2HB ASP 9 3HB ASP 9 0.703 8.553 -6.666 72 H MET 10 H MET 10 1.718 4.660 -8.682 73 HA MET 10 HA MET 10 4.394 5.189 -7.621 74 1HB MET 10 2HB MET 10 3.266 2.950 -9.308 75 2HB MET 10 3HB MET 10 4.986 3.083 -8.879 76 1HG MET 10 2HG MET 10 4.450 3.200 -6.493 77 2HG MET 10 3HG MET 10 2.722 3.096 -6.855 78 1HE MET 10 1HE MET 10 2.348 0.849 -8.884 79 2HE MET 10 2HE MET 10 2.163 -0.544 -7.795 80 3HE MET 10 3HE MET 10 1.423 1.006 -7.375 81 H THR 11 H THR 11 4.586 7.233 -8.507 82 HA THR 11 HA THR 11 4.483 7.858 -11.186 83 HB THR 11 HB THR 11 6.215 9.457 -9.302 84 HG1 THR 11 1HG THR 11 3.444 9.042 -8.915 85 1HG2 THR 11 1HG2 THR 11 3.753 10.166 -10.962 86 2HG2 THR 11 2HG2 THR 11 4.796 11.303 -10.086 87 3HG2 THR 11 3HG2 THR 11 5.441 10.400 -11.475 88 H CYS 12 H CYS 12 7.223 6.679 -9.232 89 HA CYS 12 HA CYS 12 8.828 6.352 -11.672 90 1HB CYS 12 2HB CYS 12 9.716 8.449 -10.830 91 2HB CYS 12 3HB CYS 12 9.800 7.826 -9.166 92 HG CYS 12 HG CYS 12 11.620 6.177 -9.440 93 H GLY 13 H GLY 13 10.278 4.527 -11.334 94 1HA GLY 13 2HA GLY 13 9.115 2.319 -10.257 95 2HA GLY 13 3HA GLY 13 10.869 2.467 -10.456 96 H GLY 14 H GLY 14 11.733 4.127 -8.570 97 1HA GLY 14 2HA GLY 14 11.736 2.618 -6.233 98 2HA GLY 14 3HA GLY 14 12.303 4.298 -6.350 99 H CYS 15 H CYS 15 9.205 4.827 -7.176 100 HA CYS 15 HA CYS 15 8.261 5.566 -4.594 101 1HB CYS 15 2HB CYS 15 7.397 6.577 -6.603 102 2HB CYS 15 3HB CYS 15 6.641 5.033 -7.089 103 HG CYS 15 HG CYS 15 6.276 6.305 -4.087 104 H ALA 16 H ALA 16 8.018 2.612 -6.599 105 HA ALA 16 HA ALA 16 6.218 1.178 -4.891 106 1HB ALA 16 1HB ALA 16 8.348 0.069 -6.780 107 2HB ALA 16 2HB ALA 16 6.937 -0.787 -6.142 108 3HB ALA 16 3HB ALA 16 6.713 0.562 -7.276 109 H GLU 17 H GLU 17 9.813 1.456 -4.982 110 HA GLU 17 HA GLU 17 10.296 -0.356 -2.824 111 1HB GLU 17 2HB GLU 17 11.841 2.061 -3.853 112 2HB GLU 17 3HB GLU 17 12.199 1.336 -2.307 113 1HG GLU 17 2HG GLU 17 12.377 -0.925 -3.546 114 2HG GLU 17 3HG GLU 17 12.473 0.062 -5.019 115 H ALA 18 H ALA 18 9.510 3.157 -2.843 116 HA ALA 18 HA ALA 18 9.821 3.542 -0.050 117 1HB ALA 18 1HB ALA 18 7.797 4.955 -1.841 118 2HB ALA 18 2HB ALA 18 8.429 5.516 -0.287 119 3HB ALA 18 3HB ALA 18 9.515 5.392 -1.689 120 H VAL 19 H VAL 19 6.906 2.669 -1.928 121 HA VAL 19 HA VAL 19 5.179 2.363 0.296 122 HB VAL 19 HB VAL 19 5.094 1.104 -2.467 123 1HG1 VAL 19 1HG1 VAL 19 2.663 0.810 -1.971 124 2HG1 VAL 19 2HG1 VAL 19 3.678 -0.245 -0.978 125 3HG1 VAL 19 3HG1 VAL 19 2.965 1.229 -0.279 126 1HG2 VAL 19 1HG2 VAL 19 3.589 3.471 -1.243 127 2HG2 VAL 19 2HG2 VAL 19 4.963 3.633 -2.347 128 3HG2 VAL 19 3HG2 VAL 19 3.471 2.887 -2.913 129 H SER 20 H SER 20 7.089 -0.151 -1.473 130 HA SER 20 HA SER 20 6.379 -2.365 0.090 131 1HB SER 20 2HB SER 20 7.752 -2.407 -2.011 132 2HB SER 20 3HB SER 20 9.102 -1.678 -1.134 133 HG SER 20 HG SER 20 9.433 -3.855 -1.220 134 H ARG 21 H ARG 21 9.071 -0.078 0.652 135 HA ARG 21 HA ARG 21 10.020 -1.332 2.991 136 1HB ARG 21 2HB ARG 21 10.422 1.441 1.832 137 2HB ARG 21 3HB ARG 21 11.335 0.806 3.216 138 1HG ARG 21 2HG ARG 21 12.246 -1.013 1.922 139 2HG ARG 21 3HG ARG 21 11.144 -0.755 0.598 140 1HD ARG 21 2HD ARG 21 13.169 -0.033 -0.188 141 2HD ARG 21 3HD ARG 21 12.216 1.433 0.084 142 HE ARG 21 HE ARG 21 13.581 1.249 2.410 143 1HH1 ARG 21 2HH2 ARG 21 14.793 0.972 -0.981 144 2HH1 ARG 21 1HH2 ARG 21 16.272 1.760 -0.628 145 1HH2 ARG 21 2HH1 ARG 21 15.624 2.227 2.838 146 2HH2 ARG 21 1HH1 ARG 21 16.782 2.431 1.564 147 H VAL 22 H VAL 22 7.766 1.595 2.699 148 HA VAL 22 HA VAL 22 7.520 1.815 5.470 149 HB VAL 22 HB VAL 22 6.880 3.446 3.589 150 1HG1 VAL 22 1HG1 VAL 22 5.163 2.021 2.489 151 2HG1 VAL 22 2HG1 VAL 22 4.177 2.113 3.964 152 3HG1 VAL 22 3HG1 VAL 22 4.528 3.569 3.010 153 1HG2 VAL 22 1HG2 VAL 22 5.142 3.033 6.018 154 2HG2 VAL 22 2HG2 VAL 22 6.678 3.941 5.917 155 3HG2 VAL 22 3HG2 VAL 22 5.224 4.530 5.058 156 H LEU 23 H LEU 23 5.495 -0.127 3.125 157 HA LEU 23 HA LEU 23 3.759 -1.138 5.046 158 1HB LEU 23 2HB LEU 23 4.699 -2.057 2.318 159 2HB LEU 23 3HB LEU 23 3.767 -3.155 3.314 160 HG LEU 23 HG LEU 23 2.390 -1.934 1.688 161 1HD1 LEU 23 1HD1 LEU 23 0.582 -1.448 3.328 162 2HD1 LEU 23 2HD1 LEU 23 1.372 -3.012 3.619 163 3HD1 LEU 23 3HD1 LEU 23 1.745 -1.608 4.644 164 1HD2 LEU 23 1HD2 LEU 23 3.420 0.301 1.932 165 2HD2 LEU 23 2HD2 LEU 23 1.674 0.329 2.200 166 3HD2 LEU 23 3HD2 LEU 23 2.781 0.383 3.591 167 H ASN 24 H ASN 24 6.999 -2.474 4.089 168 HA ASN 24 HA ASN 24 6.864 -4.712 5.854 169 1HB ASN 24 2HB ASN 24 9.131 -3.043 4.690 170 2HB ASN 24 3HB ASN 24 9.393 -4.250 5.937 171 1HD2 ASN 24 1HD2 ASN 24 8.240 -3.833 2.616 172 2HD2 ASN 24 2HD2 ASN 24 8.472 -5.507 2.150 173 H LYS 25 H LYS 25 8.108 -1.384 6.331 174 HA LYS 25 HA LYS 25 9.052 -1.656 8.946 175 1HB LYS 25 2HB LYS 25 7.974 0.667 7.322 176 2HB LYS 25 3HB LYS 25 8.336 0.918 9.021 177 1HG LYS 25 2HG LYS 25 10.377 -0.286 7.112 178 2HG LYS 25 3HG LYS 25 10.186 1.461 7.333 179 1HD LYS 25 2HD LYS 25 10.576 1.231 9.769 180 2HD LYS 25 3HD LYS 25 10.814 -0.513 9.583 181 1HE LYS 25 2HE LYS 25 12.749 -0.085 8.065 182 2HE LYS 25 3HE LYS 25 12.530 1.660 8.292 183 1HZ LYS 25 1HZ LYS 25 13.179 -0.275 10.422 184 2HZ LYS 25 2HZ LYS 25 14.226 0.785 9.732 185 3HZ LYS 25 3HZ LYS 25 12.974 1.344 10.636 186 H LEU 26 H LEU 26 5.743 -1.001 7.871 187 HA LEU 26 HA LEU 26 4.503 -0.507 10.278 188 1HB LEU 26 2HB LEU 26 3.532 -0.799 7.911 189 2HB LEU 26 3HB LEU 26 3.435 -2.510 8.228 190 HG LEU 26 HG LEU 26 1.429 -0.834 8.548 191 1HD1 LEU 26 1HD1 LEU 26 0.293 -2.448 9.917 192 2HD1 LEU 26 2HD1 LEU 26 1.288 -3.275 8.708 193 3HD1 LEU 26 3HD1 LEU 26 1.833 -3.197 10.402 194 1HD2 LEU 26 1HD2 LEU 26 0.937 -0.200 10.807 195 2HD2 LEU 26 2HD2 LEU 26 2.381 -0.992 11.436 196 3HD2 LEU 26 3HD2 LEU 26 2.529 0.464 10.438 197 H GLY 27 H GLY 27 5.586 -3.679 9.044 198 1HA GLY 27 2HA GLY 27 6.175 -4.768 11.490 199 2HA GLY 27 3HA GLY 27 4.443 -5.113 11.312 200 H GLY 28 H GLY 28 3.753 -6.598 9.729 201 1HA GLY 28 2HA GLY 28 5.728 -8.175 8.185 202 2HA GLY 28 3HA GLY 28 4.944 -8.980 9.562 203 H VAL 29 H VAL 29 3.781 -6.579 7.231 204 HA VAL 29 HA VAL 29 1.271 -8.024 6.785 205 HB VAL 29 HB VAL 29 1.575 -5.513 7.144 206 1HG1 VAL 29 1HG1 VAL 29 2.366 -5.435 4.228 207 2HG1 VAL 29 2HG1 VAL 29 2.374 -4.116 5.415 208 3HG1 VAL 29 3HG1 VAL 29 3.601 -5.386 5.506 209 1HG2 VAL 29 1HG2 VAL 29 -0.525 -6.298 6.331 210 2HG2 VAL 29 2HG2 VAL 29 -0.074 -4.879 5.367 211 3HG2 VAL 29 3HG2 VAL 29 0.098 -6.497 4.678 212 H LYS 30 H LYS 30 0.588 -8.776 4.654 213 HA LYS 30 HA LYS 30 2.768 -8.968 2.640 214 1HB LYS 30 2HB LYS 30 1.880 -11.131 3.164 215 2HB LYS 30 3HB LYS 30 0.231 -10.593 2.793 216 1HG LYS 30 2HG LYS 30 1.330 -11.896 0.981 217 2HG LYS 30 3HG LYS 30 0.748 -10.319 0.448 218 1HD LYS 30 2HD LYS 30 2.931 -9.447 0.134 219 2HD LYS 30 3HD LYS 30 3.627 -10.511 1.371 220 1HE LYS 30 2HE LYS 30 4.442 -11.172 -0.750 221 2HE LYS 30 3HE LYS 30 3.415 -12.441 -0.053 222 1HZ LYS 30 1HZ LYS 30 1.622 -11.187 -1.566 223 2HZ LYS 30 2HZ LYS 30 2.867 -10.710 -2.384 224 3HZ LYS 30 3HZ LYS 30 2.632 -12.319 -2.231 225 H TYR 31 H TYR 31 2.791 -7.363 1.437 226 HA TYR 31 HA TYR 31 0.387 -5.990 0.362 227 1HB TYR 31 2HB TYR 31 1.881 -4.079 0.065 228 2HB TYR 31 3HB TYR 31 1.828 -4.561 1.757 229 HD1 TYR 31 HD1 TYR 31 3.812 -5.913 2.738 230 HD2 TYR 31 HD2 TYR 31 3.918 -4.157 -1.188 231 HE1 TYR 31 HE1 TYR 31 6.194 -6.478 2.567 232 HE2 TYR 31 HE2 TYR 31 6.336 -4.756 -1.358 233 HH TYR 31 HH TYR 31 8.175 -5.276 -0.088 234 H ASP 32 H ASP 32 0.247 -5.948 -1.906 235 HA ASP 32 HA ASP 32 2.411 -7.179 -3.523 236 1HB ASP 32 2HB ASP 32 -0.489 -7.970 -3.174 237 2HB ASP 32 3HB ASP 32 0.300 -8.220 -4.734 238 H ILE 33 H ILE 33 2.665 -6.198 -5.475 239 HA ILE 33 HA ILE 33 1.395 -3.493 -5.581 240 HB ILE 33 HB ILE 33 4.271 -4.397 -5.938 241 1HG1 ILE 33 2HG1 ILE 33 3.494 -2.480 -3.759 242 2HG1 ILE 33 3HG1 ILE 33 3.115 -4.175 -3.466 243 1HG2 ILE 33 1HG2 ILE 33 4.783 -1.956 -5.961 244 2HG2 ILE 33 2HG2 ILE 33 3.731 -2.422 -7.302 245 3HG2 ILE 33 3HG2 ILE 33 3.043 -1.612 -5.881 246 1HD1 ILE 33 1HD1 ILE 33 5.408 -3.280 -2.725 247 2HD1 ILE 33 2HD1 ILE 33 5.337 -4.858 -3.555 248 3HD1 ILE 33 3HD1 ILE 33 5.881 -3.394 -4.421 249 H ASP 34 H ASP 34 0.697 -2.781 -7.524 250 HA ASP 34 HA ASP 34 1.505 -4.248 -10.001 251 1HB ASP 34 2HB ASP 34 -0.861 -4.488 -9.335 252 2HB ASP 34 3HB ASP 34 -1.053 -2.728 -9.431 253 H LEU 35 H LEU 35 3.129 -3.098 -10.814 254 HA LEU 35 HA LEU 35 3.457 -0.239 -10.598 255 1HB LEU 35 2HB LEU 35 4.900 -2.516 -11.938 256 2HB LEU 35 3HB LEU 35 5.194 -0.904 -12.562 257 HG LEU 35 HG LEU 35 6.860 -1.699 -10.927 258 1HD1 LEU 35 1HD1 LEU 35 6.573 0.711 -11.401 259 2HD1 LEU 35 2HD1 LEU 35 5.415 0.840 -10.061 260 3HD1 LEU 35 3HD1 LEU 35 7.104 0.412 -9.739 261 1HD2 LEU 35 1HD2 LEU 35 5.269 -2.837 -9.358 262 2HD2 LEU 35 2HD2 LEU 35 6.400 -1.726 -8.559 263 3HD2 LEU 35 3HD2 LEU 35 4.724 -1.221 -8.837 264 HA PRO 36 HA PRO 36 2.245 -0.120 -15.240 265 1HB PRO 36 2HB PRO 36 0.366 -2.023 -16.090 266 2HB PRO 36 3HB PRO 36 2.107 -1.990 -16.474 267 1HG PRO 36 2HG PRO 36 0.691 -3.582 -14.367 268 2HG PRO 36 3HG PRO 36 2.048 -4.083 -15.403 269 1HD PRO 36 2HD PRO 36 2.414 -3.382 -12.843 270 2HD PRO 36 3HD PRO 36 3.619 -2.921 -14.071 271 H ASN 37 H ASN 37 -0.270 -1.698 -13.127 272 HA ASN 37 HA ASN 37 -2.231 0.272 -14.051 273 1HB ASN 37 2HB ASN 37 -2.558 -1.987 -12.062 274 2HB ASN 37 3HB ASN 37 -3.834 -0.991 -12.729 275 1HD2 ASN 37 1HD2 ASN 37 -2.191 -3.924 -13.190 276 2HD2 ASN 37 2HD2 ASN 37 -2.651 -4.183 -14.874 277 H LYS 38 H LYS 38 -0.064 0.125 -11.238 278 HA LYS 38 HA LYS 38 0.278 1.714 -9.687 279 1HB LYS 38 2HB LYS 38 -1.573 3.384 -11.428 280 2HB LYS 38 3HB LYS 38 -0.823 3.995 -9.974 281 1HG LYS 38 2HG LYS 38 1.288 4.045 -10.879 282 2HG LYS 38 3HG LYS 38 1.053 2.522 -11.726 283 1HD LYS 38 2HD LYS 38 -0.437 3.783 -13.392 284 2HD LYS 38 3HD LYS 38 0.116 5.273 -12.610 285 1HE LYS 38 2HE LYS 38 1.482 4.838 -14.577 286 2HE LYS 38 3HE LYS 38 2.493 4.632 -13.137 287 1HZ LYS 38 1HZ LYS 38 2.280 2.247 -13.380 288 2HZ LYS 38 2HZ LYS 38 1.178 2.388 -14.561 289 3HZ LYS 38 3HZ LYS 38 2.736 2.865 -14.831 290 H LYS 39 H LYS 39 -0.903 -0.310 -8.958 291 HA LYS 39 HA LYS 39 -2.759 0.661 -6.913 292 1HB LYS 39 2HB LYS 39 -3.191 -1.872 -8.582 293 2HB LYS 39 3HB LYS 39 -3.983 -1.527 -7.041 294 1HG LYS 39 2HG LYS 39 -5.019 0.514 -8.039 295 2HG LYS 39 3HG LYS 39 -4.277 0.107 -9.592 296 1HD LYS 39 2HD LYS 39 -6.605 -0.612 -9.539 297 2HD LYS 39 3HD LYS 39 -5.533 -2.018 -9.661 298 1HE LYS 39 2HE LYS 39 -5.861 -2.559 -7.289 299 2HE LYS 39 3HE LYS 39 -6.715 -1.034 -7.008 300 1HZ LYS 39 1HZ LYS 39 -8.510 -1.892 -8.358 301 2HZ LYS 39 2HZ LYS 39 -7.659 -3.277 -8.676 302 3HZ LYS 39 3HZ LYS 39 -8.134 -2.954 -7.166 303 H VAL 40 H VAL 40 -2.745 -0.688 -4.969 304 HA VAL 40 HA VAL 40 -0.813 -2.874 -4.893 305 HB VAL 40 HB VAL 40 -1.276 -0.484 -3.056 306 1HG1 VAL 40 1HG1 VAL 40 -0.382 -3.198 -2.111 307 2HG1 VAL 40 2HG1 VAL 40 -0.203 -1.673 -1.199 308 3HG1 VAL 40 3HG1 VAL 40 -1.821 -2.239 -1.650 309 1HG2 VAL 40 1HG2 VAL 40 1.226 -2.041 -3.815 310 2HG2 VAL 40 2HG2 VAL 40 0.662 -0.564 -4.633 311 3HG2 VAL 40 3HG2 VAL 40 1.165 -0.506 -2.928 312 H CYS 41 H CYS 41 -1.675 -4.604 -3.880 313 HA CYS 41 HA CYS 41 -4.307 -4.279 -2.561 314 1HB CYS 41 2HB CYS 41 -5.007 -6.418 -3.142 315 2HB CYS 41 3HB CYS 41 -4.526 -5.687 -4.682 316 HG CYS 41 HG CYS 41 -3.920 -8.252 -4.561 317 H ILE 42 H ILE 42 -4.388 -5.339 -0.538 318 HA ILE 42 HA ILE 42 -1.805 -6.460 0.452 319 HB ILE 42 HB ILE 42 -3.690 -4.667 2.016 320 1HG1 ILE 42 2HG1 ILE 42 -0.933 -4.039 0.836 321 2HG1 ILE 42 3HG1 ILE 42 -2.463 -3.330 0.319 322 1HG2 ILE 42 1HG2 ILE 42 -0.910 -5.648 2.743 323 2HG2 ILE 42 2HG2 ILE 42 -2.059 -4.806 3.797 324 3HG2 ILE 42 3HG2 ILE 42 -2.399 -6.451 3.289 325 1HD1 ILE 42 1HD1 ILE 42 -2.747 -2.305 2.570 326 2HD1 ILE 42 2HD1 ILE 42 -1.141 -2.919 3.015 327 3HD1 ILE 42 3HD1 ILE 42 -1.309 -1.744 1.698 328 H GLU 43 H GLU 43 -2.109 -8.347 1.472 329 HA GLU 43 HA GLU 43 -4.915 -9.300 1.958 330 1HB GLU 43 2HB GLU 43 -3.988 -10.155 -0.189 331 2HB GLU 43 3HB GLU 43 -2.669 -10.931 0.698 332 1HG GLU 43 2HG GLU 43 -4.223 -12.410 1.822 333 2HG GLU 43 3HG GLU 43 -5.620 -11.469 1.270 334 H SER 44 H SER 44 -4.688 -8.769 4.112 335 HA SER 44 HA SER 44 -3.313 -10.544 5.838 336 1HB SER 44 2HB SER 44 -2.349 -7.646 5.724 337 2HB SER 44 3HB SER 44 -1.992 -8.763 7.057 338 HG SER 44 HG SER 44 -1.368 -9.788 4.595 339 H GLU 45 H GLU 45 -4.533 -10.517 7.774 340 HA GLU 45 HA GLU 45 -6.932 -9.103 8.003 341 1HB GLU 45 2HB GLU 45 -5.211 -10.263 10.215 342 2HB GLU 45 3HB GLU 45 -6.924 -9.840 10.330 343 1HG GLU 45 2HG GLU 45 -5.780 -11.994 8.480 344 2HG GLU 45 3HG GLU 45 -6.620 -12.241 10.008 345 H HIS 46 H HIS 46 -3.789 -7.828 8.433 346 HA HIS 46 HA HIS 46 -3.992 -6.177 10.642 347 1HB HIS 46 2HB HIS 46 -2.057 -6.665 8.784 348 2HB HIS 46 3HB HIS 46 -2.536 -5.044 8.283 349 HD1 HIS 46 1HD HIS 46 -2.716 -3.406 10.837 350 HD2 HIS 46 2HD HIS 46 -0.068 -6.650 10.369 351 HE1 HIS 46 1HE HIS 46 -0.910 -3.161 12.634 352 H SER 47 H SER 47 -5.137 -4.396 11.121 353 HA SER 47 HA SER 47 -7.354 -3.786 9.671 354 1HB SER 47 2HB SER 47 -7.073 -3.349 12.077 355 2HB SER 47 3HB SER 47 -6.035 -1.955 11.706 356 HG SER 47 HG SER 47 -7.759 -0.858 11.398 357 H MET 48 H MET 48 -8.017 -2.413 8.143 358 HA MET 48 HA MET 48 -6.422 -1.309 6.220 359 1HB MET 48 2HB MET 48 -8.936 -1.818 6.250 360 2HB MET 48 3HB MET 48 -9.156 -0.277 7.094 361 1HG MET 48 2HG MET 48 -7.730 0.665 5.070 362 2HG MET 48 3HG MET 48 -8.224 -0.839 4.292 363 1HE MET 48 1HE MET 48 -12.160 -0.366 4.325 364 2HE MET 48 2HE MET 48 -10.815 -1.459 3.919 365 3HE MET 48 3HE MET 48 -11.214 -1.123 5.623 366 H ASP 49 H ASP 49 -7.889 0.334 9.048 367 HA ASP 49 HA ASP 49 -7.201 2.976 8.427 368 1HB ASP 49 2HB ASP 49 -7.756 3.508 10.651 369 2HB ASP 49 3HB ASP 49 -8.804 2.151 10.241 370 H THR 50 H THR 50 -5.548 0.646 10.363 371 HA THR 50 HA THR 50 -3.289 2.103 11.153 372 HB THR 50 HB THR 50 -3.671 -0.903 10.768 373 HG1 THR 50 1HG THR 50 -5.229 0.270 12.142 374 1HG2 THR 50 1HG2 THR 50 -1.332 -0.513 11.126 375 2HG2 THR 50 2HG2 THR 50 -1.667 0.637 12.449 376 3HG2 THR 50 3HG2 THR 50 -2.043 -1.086 12.644 377 H LEU 51 H LEU 51 -3.683 -0.196 8.410 378 HA LEU 51 HA LEU 51 -1.057 0.144 7.325 379 1HB LEU 51 2HB LEU 51 -3.677 -0.434 5.880 380 2HB LEU 51 3HB LEU 51 -2.058 -0.585 5.172 381 HG LEU 51 HG LEU 51 -2.949 -2.112 7.668 382 1HD1 LEU 51 1HD1 LEU 51 -3.306 -4.059 6.140 383 2HD1 LEU 51 2HD1 LEU 51 -4.466 -2.745 5.895 384 3HD1 LEU 51 3HD1 LEU 51 -3.122 -2.958 4.759 385 1HD2 LEU 51 1HD2 LEU 51 -0.680 -2.573 5.683 386 2HD2 LEU 51 2HD2 LEU 51 -0.499 -1.987 7.348 387 3HD2 LEU 51 3HD2 LEU 51 -1.085 -3.622 7.060 388 H LEU 52 H LEU 52 -4.135 1.787 6.499 389 HA LEU 52 HA LEU 52 -3.133 3.576 4.597 390 1HB LEU 52 2HB LEU 52 -5.445 3.625 6.522 391 2HB LEU 52 3HB LEU 52 -5.082 5.078 5.606 392 HG LEU 52 HG LEU 52 -5.512 2.359 4.338 393 1HD1 LEU 52 1HD1 LEU 52 -7.804 3.129 3.823 394 2HD1 LEU 52 2HD1 LEU 52 -7.538 3.072 5.574 395 3HD1 LEU 52 3HD1 LEU 52 -7.512 4.631 4.725 396 1HD2 LEU 52 1HD2 LEU 52 -6.001 3.788 2.298 397 2HD2 LEU 52 2HD2 LEU 52 -5.511 5.214 3.216 398 3HD2 LEU 52 3HD2 LEU 52 -4.332 3.943 2.831 399 H ALA 53 H ALA 53 -3.617 4.263 8.091 400 HA ALA 53 HA ALA 53 -2.454 6.816 8.155 401 1HB ALA 53 1HB ALA 53 -2.170 6.387 10.578 402 2HB ALA 53 2HB ALA 53 -3.756 5.818 10.018 403 3HB ALA 53 3HB ALA 53 -2.448 4.653 10.312 404 H THR 54 H THR 54 -0.858 3.646 8.458 405 HA THR 54 HA THR 54 1.758 4.729 8.879 406 HB THR 54 HB THR 54 0.897 2.072 7.661 407 HG1 THR 54 1HG THR 54 0.149 2.284 9.703 408 1HG2 THR 54 1HG2 THR 54 3.579 3.072 8.700 409 2HG2 THR 54 2HG2 THR 54 3.176 1.372 8.408 410 3HG2 THR 54 3HG2 THR 54 3.187 2.503 7.056 411 H LEU 55 H LEU 55 0.347 3.389 5.834 412 HA LEU 55 HA LEU 55 2.679 4.015 4.377 413 1HB LEU 55 2HB LEU 55 1.574 3.056 2.550 414 2HB LEU 55 3HB LEU 55 1.160 2.176 3.985 415 HG LEU 55 HG LEU 55 -0.993 3.558 4.045 416 1HD1 LEU 55 1HD1 LEU 55 0.341 4.522 1.666 417 2HD1 LEU 55 2HD1 LEU 55 -1.270 3.866 1.268 418 3HD1 LEU 55 3HD1 LEU 55 -1.108 5.153 2.480 419 1HD2 LEU 55 1HD2 LEU 55 -0.845 1.143 3.521 420 2HD2 LEU 55 2HD2 LEU 55 -2.068 1.937 2.509 421 3HD2 LEU 55 3HD2 LEU 55 -0.472 1.535 1.829 422 H LYS 56 H LYS 56 -0.318 5.707 4.740 423 HA LYS 56 HA LYS 56 -0.256 7.841 3.013 424 1HB LYS 56 2HB LYS 56 -0.945 7.600 5.945 425 2HB LYS 56 3HB LYS 56 -0.922 9.200 5.251 426 1HG LYS 56 2HG LYS 56 -2.539 8.645 3.548 427 2HG LYS 56 3HG LYS 56 -2.568 6.943 4.052 428 1HD LYS 56 2HD LYS 56 -3.349 7.574 6.276 429 2HD LYS 56 3HD LYS 56 -3.211 9.296 5.889 430 1HE LYS 56 2HE LYS 56 -4.975 9.056 4.144 431 2HE LYS 56 3HE LYS 56 -5.090 7.322 4.480 432 1HZ LYS 56 1HZ LYS 56 -5.739 9.477 6.385 433 2HZ LYS 56 2HZ LYS 56 -6.823 8.552 5.570 434 3HZ LYS 56 3HZ LYS 56 -5.847 7.864 6.699 435 H LYS 57 H LYS 57 1.942 7.400 5.811 436 HA LYS 57 HA LYS 57 2.921 10.090 5.785 437 1HB LYS 57 2HB LYS 57 3.928 7.502 6.943 438 2HB LYS 57 3HB LYS 57 4.793 9.041 7.173 439 1HG LYS 57 2HG LYS 57 2.711 10.007 8.145 440 2HG LYS 57 3HG LYS 57 1.910 8.440 7.956 441 1HD LYS 57 2HD LYS 57 4.472 8.787 9.572 442 2HD LYS 57 3HD LYS 57 2.863 9.054 10.272 443 1HE LYS 57 2HE LYS 57 2.160 6.785 9.692 444 2HE LYS 57 3HE LYS 57 3.729 6.436 8.941 445 1HZ LYS 57 1HZ LYS 57 4.738 6.719 11.103 446 2HZ LYS 57 2HZ LYS 57 3.274 7.039 11.789 447 3HZ LYS 57 3HZ LYS 57 3.575 5.557 11.148 448 H THR 58 H THR 58 3.501 7.628 3.441 449 HA THR 58 HA THR 58 6.107 8.537 2.577 450 HB THR 58 HB THR 58 5.406 7.675 0.362 451 HG1 THR 58 1HG THR 58 2.999 6.866 1.616 452 1HG2 THR 58 1HG2 THR 58 5.164 5.314 1.076 453 2HG2 THR 58 2HG2 THR 58 6.422 6.189 1.985 454 3HG2 THR 58 3HG2 THR 58 4.849 5.872 2.741 455 H GLY 59 H GLY 59 2.924 9.989 2.505 456 1HA GLY 59 2HA GLY 59 2.300 12.077 1.891 457 2HA GLY 59 3HA GLY 59 3.990 12.445 1.464 458 H LYS 60 H LYS 60 1.820 9.883 0.254 459 HA LYS 60 HA LYS 60 2.370 10.755 -2.540 460 1HB LYS 60 2HB LYS 60 1.604 8.119 -1.237 461 2HB LYS 60 3HB LYS 60 1.539 8.338 -2.976 462 1HG LYS 60 2HG LYS 60 4.016 8.733 -1.242 463 2HG LYS 60 3HG LYS 60 3.642 7.280 -2.169 464 1HD LYS 60 2HD LYS 60 4.382 10.044 -3.208 465 2HD LYS 60 3HD LYS 60 5.232 8.514 -3.398 466 1HE LYS 60 2HE LYS 60 3.066 7.710 -4.665 467 2HE LYS 60 3HE LYS 60 2.653 9.427 -4.779 468 1HZ LYS 60 1HZ LYS 60 5.070 8.120 -5.815 469 2HZ LYS 60 2HZ LYS 60 3.798 8.585 -6.705 470 3HZ LYS 60 3HZ LYS 60 4.726 9.745 -6.010 471 H THR 61 H THR 61 0.833 10.790 -4.122 472 HA THR 61 HA THR 61 -2.000 10.903 -3.689 473 HB THR 61 HB THR 61 -1.518 10.127 -6.267 474 HG1 THR 61 1HG THR 61 0.496 10.866 -6.897 475 1HG2 THR 61 1HG2 THR 61 -1.445 12.540 -6.842 476 2HG2 THR 61 2HG2 THR 61 -2.671 12.204 -5.604 477 3HG2 THR 61 3HG2 THR 61 -1.115 12.933 -5.140 478 H VAL 62 H VAL 62 -2.251 9.146 -2.214 479 HA VAL 62 HA VAL 62 -2.509 6.541 -3.598 480 HB VAL 62 HB VAL 62 -0.513 6.328 -2.259 481 1HG1 VAL 62 1HG1 VAL 62 -0.856 8.098 -0.572 482 2HG1 VAL 62 2HG1 VAL 62 -2.163 7.160 0.173 483 3HG1 VAL 62 3HG1 VAL 62 -0.496 6.551 0.188 484 1HG2 VAL 62 1HG2 VAL 62 -2.741 4.925 -0.734 485 2HG2 VAL 62 2HG2 VAL 62 -2.211 4.454 -2.354 486 3HG2 VAL 62 3HG2 VAL 62 -1.069 4.383 -1.008 487 H SER 63 H SER 63 -4.424 5.437 -3.106 488 HA SER 63 HA SER 63 -6.246 6.607 -1.076 489 1HB SER 63 2HB SER 63 -8.063 6.654 -2.823 490 2HB SER 63 3HB SER 63 -6.786 7.861 -3.068 491 HG SER 63 HG SER 63 -7.238 6.799 -5.017 492 H TYR 64 H TYR 64 -8.075 5.188 -0.664 493 HA TYR 64 HA TYR 64 -7.413 2.297 -0.948 494 1HB TYR 64 2HB TYR 64 -7.619 2.583 1.290 495 2HB TYR 64 3HB TYR 64 -8.611 4.025 1.154 496 HD1 TYR 64 HD1 TYR 64 -10.944 3.945 1.435 497 HD2 TYR 64 HD2 TYR 64 -8.743 0.285 0.813 498 HE1 TYR 64 HE1 TYR 64 -13.012 2.649 1.789 499 HE2 TYR 64 HE2 TYR 64 -10.813 -1.009 1.233 500 HH TYR 64 HH TYR 64 -13.973 0.563 1.822 501 H LEU 65 H LEU 65 -8.710 1.041 -2.213 502 HA LEU 65 HA LEU 65 -11.514 1.704 -2.635 503 1HB LEU 65 2HB LEU 65 -11.131 1.383 -5.172 504 2HB LEU 65 3HB LEU 65 -11.048 2.958 -4.404 505 HG LEU 65 HG LEU 65 -9.395 2.616 -6.109 506 1HD1 LEU 65 1HD1 LEU 65 -7.712 3.815 -5.233 507 2HD1 LEU 65 2HD1 LEU 65 -9.059 4.169 -4.148 508 3HD1 LEU 65 3HD1 LEU 65 -7.801 3.004 -3.674 509 1HD2 LEU 65 1HD2 LEU 65 -8.048 0.536 -4.412 510 2HD2 LEU 65 2HD2 LEU 65 -8.902 0.266 -5.948 511 3HD2 LEU 65 3HD2 LEU 65 -7.438 1.244 -5.924 512 H GLY 66 H GLY 66 -11.467 -0.336 -1.329 513 1HA GLY 66 2HA GLY 66 -12.884 -2.219 -2.441 514 2HA GLY 66 3HA GLY 66 -11.315 -2.776 -3.040 515 H LEU 67 H LEU 67 -13.426 -3.577 -0.694 516 HA LEU 67 HA LEU 67 -11.385 -4.161 1.356 517 1HB LEU 67 2HB LEU 67 -12.457 -2.349 2.351 518 2HB LEU 67 3HB LEU 67 -13.958 -2.606 1.454 519 HG LEU 67 HG LEU 67 -14.504 -4.525 2.836 520 1HD1 LEU 67 1HD1 LEU 67 -13.293 -4.968 4.931 521 2HD1 LEU 67 2HD1 LEU 67 -12.139 -5.082 3.593 522 3HD1 LEU 67 3HD1 LEU 67 -12.167 -3.634 4.611 523 1HD2 LEU 67 1HD2 LEU 67 -15.132 -3.240 4.842 524 2HD2 LEU 67 2HD2 LEU 67 -13.999 -1.953 4.377 525 3HD2 LEU 67 3HD2 LEU 67 -15.406 -2.314 3.355 526 H GLU 68 H GLU 68 -11.307 -6.365 1.549 527 HA GLU 68 HA GLU 68 -13.794 -7.951 1.501 528 1HB GLU 68 2HB GLU 68 -10.886 -8.302 0.663 529 2HB GLU 68 3HB GLU 68 -11.914 -9.660 0.998 530 1HG GLU 68 2HG GLU 68 -12.987 -9.454 -1.060 531 2HG GLU 68 3HG GLU 68 -13.149 -7.703 -0.887
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