NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26415 | 2kjr | 16338 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -14.806 -32.884 -4.350 2 H2 MET 1 2H MET 1 -16.491 -33.020 -4.187 3 H3 MET 1 3H MET 1 -15.720 -31.540 -3.867 4 HA MET 1 HA MET 1 -16.532 -32.699 -6.387 5 HB2 MET 1 1HB MET 1 -15.896 -29.910 -5.377 6 HB3 MET 1 2HB MET 1 -16.508 -30.258 -6.993 7 HG2 MET 1 1HG MET 1 -17.920 -31.009 -4.415 8 HG3 MET 1 2HG MET 1 -18.320 -29.606 -5.403 9 HE1 MET 1 3HE MET 1 -18.087 -30.936 -8.578 10 HE2 MET 1 1HE MET 1 -18.801 -29.590 -7.679 11 HE3 MET 1 2HE MET 1 -19.837 -30.744 -8.512 12 H GLY 2 H GLY 2 -14.454 -33.977 -6.622 13 HA2 GLY 2 1HA GLY 2 -12.612 -34.140 -8.132 14 HA3 GLY 2 2HA GLY 2 -12.538 -32.380 -8.209 15 H HIS 3 H HIS 3 -11.095 -35.134 -6.877 16 HA HIS 3 HA HIS 3 -9.987 -33.778 -4.505 17 HB2 HIS 3 1HB HIS 3 -9.521 -36.507 -5.737 18 HB3 HIS 3 2HB HIS 3 -8.651 -35.928 -4.316 19 HD1 HIS 3 HD1 HIS 3 -12.038 -37.056 -5.460 20 HD2 HIS 3 HD2 HIS 3 -10.233 -35.716 -1.949 21 HE1 HIS 3 HE1 HIS 3 -13.678 -37.523 -3.587 22 H HIS 4 H HIS 4 -9.280 -33.986 -7.820 23 HA HIS 4 HA HIS 4 -6.645 -32.694 -7.370 24 HB2 HIS 4 1HB HIS 4 -6.110 -35.081 -7.649 25 HB3 HIS 4 2HB HIS 4 -7.039 -35.123 -9.148 26 HD1 HIS 4 HD1 HIS 4 -4.103 -33.164 -7.687 27 HD2 HIS 4 HD2 HIS 4 -5.507 -34.532 -11.367 28 HE1 HIS 4 HE1 HIS 4 -2.346 -32.540 -9.401 29 H HIS 5 H HIS 5 -6.012 -31.364 -9.142 30 HA HIS 5 HA HIS 5 -7.779 -31.231 -11.510 31 HB2 HIS 5 1HB HIS 5 -8.183 -28.798 -11.189 32 HB3 HIS 5 2HB HIS 5 -8.917 -29.763 -9.909 33 HD1 HIS 5 HD1 HIS 5 -7.533 -29.886 -7.609 34 HD2 HIS 5 HD2 HIS 5 -6.297 -26.946 -10.293 35 HE1 HIS 5 HE1 HIS 5 -6.099 -28.270 -6.289 36 H HIS 6 H HIS 6 -6.891 -29.593 -13.102 37 HA HIS 6 HA HIS 6 -3.899 -29.587 -12.965 38 HB2 HIS 6 1HB HIS 6 -5.831 -29.508 -15.298 39 HB3 HIS 6 2HB HIS 6 -4.095 -29.246 -15.467 40 HD1 HIS 6 HD1 HIS 6 -6.596 -31.895 -14.465 41 HD2 HIS 6 HD2 HIS 6 -2.522 -31.578 -15.287 42 HE1 HIS 6 HE1 HIS 6 -5.697 -34.261 -14.556 43 H HIS 7 H HIS 7 -2.786 -27.675 -13.641 44 HA HIS 7 HA HIS 7 -4.066 -25.229 -12.757 45 HB2 HIS 7 1HB HIS 7 -1.386 -25.696 -14.094 46 HB3 HIS 7 2HB HIS 7 -1.901 -24.177 -13.358 47 HD1 HIS 7 HD1 HIS 7 -2.481 -24.315 -10.726 48 HD2 HIS 7 HD2 HIS 7 -0.352 -27.540 -12.287 49 HE1 HIS 7 HE1 HIS 7 -1.513 -25.560 -8.744 50 H HIS 8 H HIS 8 -4.373 -23.319 -14.045 51 HA HIS 8 HA HIS 8 -5.489 -23.867 -16.668 52 HB2 HIS 8 1HB HIS 8 -4.984 -21.283 -15.160 53 HB3 HIS 8 2HB HIS 8 -5.807 -21.363 -16.718 54 HD1 HIS 8 HD1 HIS 8 -8.081 -22.761 -16.774 55 HD2 HIS 8 HD2 HIS 8 -6.583 -21.959 -12.967 56 HE1 HIS 8 HE1 HIS 8 -9.969 -23.219 -15.150 57 H SER 9 H SER 9 -2.361 -23.306 -15.560 58 HA SER 9 HA SER 9 -0.347 -22.887 -16.673 59 HB2 SER 9 1HB SER 9 -1.524 -24.550 -18.297 60 HB3 SER 9 2HB SER 9 -1.821 -23.130 -19.296 61 HG SER 9 HG SER 9 0.490 -24.512 -18.830 62 H HIS 10 H HIS 10 -2.254 -20.717 -16.040 63 HA HIS 10 HA HIS 10 -2.369 -18.780 -18.126 64 HB2 HIS 10 1HB HIS 10 -3.656 -18.628 -16.000 65 HB3 HIS 10 2HB HIS 10 -2.155 -18.300 -15.137 66 HD1 HIS 10 HD1 HIS 10 -3.872 -16.869 -18.244 67 HD2 HIS 10 HD2 HIS 10 -1.791 -15.588 -14.867 68 HE1 HIS 10 HE1 HIS 10 -3.802 -14.340 -18.362 69 H GLY 11 H GLY 11 0.087 -19.423 -15.637 70 HA2 GLY 11 1HA GLY 11 2.467 -19.174 -16.292 71 HA3 GLY 11 2HA GLY 11 2.015 -17.740 -17.208 72 H LYS 12 H LYS 12 2.160 -15.799 -16.186 73 HA LYS 12 HA LYS 12 3.352 -15.617 -13.588 74 HB2 LYS 12 1HB LYS 12 3.536 -13.904 -15.430 75 HB3 LYS 12 2HB LYS 12 1.879 -13.425 -15.061 76 HG2 LYS 12 1HG LYS 12 2.501 -12.833 -12.784 77 HG3 LYS 12 2HG LYS 12 4.133 -13.451 -13.033 78 HD2 LYS 12 1HD LYS 12 4.321 -11.094 -13.307 79 HD3 LYS 12 2HD LYS 12 4.331 -11.752 -14.941 80 HE2 LYS 12 1HE LYS 12 2.052 -11.129 -15.309 81 HE3 LYS 12 2HE LYS 12 1.793 -10.789 -13.598 82 HZ1 LYS 12 3HZ LYS 12 3.401 -8.986 -13.765 83 HZ2 LYS 12 1HZ LYS 12 2.107 -8.757 -14.836 84 HZ3 LYS 12 2HZ LYS 12 3.605 -9.305 -15.421 85 H SER 13 H SER 13 2.455 -15.450 -11.605 86 HA SER 13 HA SER 13 -0.347 -14.602 -11.262 87 HB2 SER 13 1HB SER 13 -0.901 -16.634 -9.920 88 HB3 SER 13 2HB SER 13 -0.626 -17.003 -11.620 89 HG SER 13 HG SER 13 1.590 -17.477 -10.958 90 H ASP 14 H ASP 14 2.185 -13.467 -10.514 91 HA ASP 14 HA ASP 14 2.556 -14.040 -7.648 92 HB2 ASP 14 1HB ASP 14 4.324 -12.325 -7.790 93 HB3 ASP 14 2HB ASP 14 4.507 -13.524 -9.070 94 H PHE 15 H PHE 15 0.433 -13.412 -6.915 95 HA PHE 15 HA PHE 15 0.148 -10.454 -6.591 96 HB2 PHE 15 1HB PHE 15 -2.047 -12.414 -7.347 97 HB3 PHE 15 2HB PHE 15 -2.324 -10.739 -6.868 98 HD1 PHE 15 HD1 PHE 15 -0.967 -12.956 -9.479 99 HD2 PHE 15 HD2 PHE 15 -1.674 -8.885 -8.313 100 HE1 PHE 15 HE1 PHE 15 -0.511 -12.212 -11.801 101 HE2 PHE 15 HE2 PHE 15 -1.216 -8.139 -10.633 102 HZ PHE 15 HZ PHE 15 -0.635 -9.803 -12.377 103 H ILE 16 H ILE 16 -0.867 -9.861 -4.615 104 HA ILE 16 HA ILE 16 -1.243 -12.080 -2.628 105 HB ILE 16 HB ILE 16 -0.295 -10.534 -0.922 106 HG12 ILE 16 1HG1 ILE 16 0.487 -8.836 -3.315 107 HG13 ILE 16 2HG1 ILE 16 -0.817 -8.427 -2.203 108 HG21 ILE 16 1HG2 ILE 16 2.067 -10.714 -1.713 109 HG22 ILE 16 2HG2 ILE 16 1.464 -11.124 -3.319 110 HG23 ILE 16 3HG2 ILE 16 1.154 -12.202 -1.959 111 HD11 ILE 16 3HD1 ILE 16 1.233 -7.255 -1.553 112 HD12 ILE 16 1HD1 ILE 16 2.102 -8.787 -1.467 113 HD13 ILE 16 2HD1 ILE 16 0.803 -8.444 -0.323 114 H LYS 17 H LYS 17 -2.885 -11.726 -1.079 115 HA LYS 17 HA LYS 17 -4.919 -9.708 -1.913 116 HB2 LYS 17 1HB LYS 17 -5.556 -12.130 -1.719 117 HB3 LYS 17 2HB LYS 17 -5.189 -12.041 0.004 118 HG2 LYS 17 1HG LYS 17 -6.895 -10.342 0.335 119 HG3 LYS 17 2HG LYS 17 -7.196 -10.256 -1.401 120 HD2 LYS 17 1HD LYS 17 -8.915 -11.644 -0.371 121 HD3 LYS 17 2HD LYS 17 -7.873 -12.660 -1.366 122 HE2 LYS 17 1HE LYS 17 -7.200 -12.314 1.547 123 HE3 LYS 17 2HE LYS 17 -8.499 -13.415 1.089 124 HZ1 LYS 17 3HZ LYS 17 -5.759 -13.877 0.983 125 HZ2 LYS 17 1HZ LYS 17 -6.305 -13.815 -0.621 126 HZ3 LYS 17 2HZ LYS 17 -7.011 -14.906 0.474 127 H VAL 18 H VAL 18 -4.953 -7.859 -0.772 128 HA VAL 18 HA VAL 18 -4.488 -7.959 2.173 129 HB VAL 18 HB VAL 18 -3.134 -5.869 1.997 130 HG11 VAL 18 1HG1 VAL 18 -1.083 -6.974 1.182 131 HG12 VAL 18 2HG1 VAL 18 -2.059 -8.232 0.423 132 HG13 VAL 18 3HG1 VAL 18 -2.035 -8.074 2.179 133 HG21 VAL 18 3HG2 VAL 18 -3.330 -6.496 -0.965 134 HG22 VAL 18 1HG2 VAL 18 -2.183 -5.349 -0.273 135 HG23 VAL 18 2HG2 VAL 18 -3.916 -5.046 -0.150 136 H ASN 19 H ASN 19 -5.281 -5.951 3.232 137 HA ASN 19 HA ASN 19 -7.743 -4.966 1.860 138 HB2 ASN 19 1HB ASN 19 -6.880 -5.041 4.766 139 HB3 ASN 19 2HB ASN 19 -8.321 -4.187 4.212 140 HD21 ASN 19 2HD2 ASN 19 -8.470 -6.457 5.995 141 HD22 ASN 19 1HD2 ASN 19 -9.243 -7.720 5.167 142 H VAL 20 H VAL 20 -8.021 -2.791 1.459 143 HA VAL 20 HA VAL 20 -5.793 -0.936 2.249 144 HB VAL 20 HB VAL 20 -7.326 -1.147 -0.357 145 HG11 VAL 20 1HG1 VAL 20 -5.884 0.884 -0.981 146 HG12 VAL 20 2HG1 VAL 20 -5.633 1.102 0.751 147 HG13 VAL 20 3HG1 VAL 20 -7.260 1.198 0.076 148 HG21 VAL 20 3HG2 VAL 20 -4.359 -1.138 0.281 149 HG22 VAL 20 1HG2 VAL 20 -5.081 -1.373 -1.311 150 HG23 VAL 20 2HG2 VAL 20 -5.311 -2.585 -0.049 151 H SER 21 H SER 21 -6.435 0.847 3.305 152 HA SER 21 HA SER 21 -9.288 1.726 3.130 153 HB2 SER 21 1HB SER 21 -9.036 0.409 5.201 154 HB3 SER 21 2HB SER 21 -7.663 1.405 5.676 155 HG SER 21 HG SER 21 -10.090 2.640 5.012 156 H ASN 22 H ASN 22 -9.559 3.975 3.392 157 HA ASN 22 HA ASN 22 -7.023 5.566 3.232 158 HB2 ASN 22 1HB ASN 22 -9.782 6.119 2.123 159 HB3 ASN 22 2HB ASN 22 -8.420 7.236 2.028 160 HD21 ASN 22 2HD2 ASN 22 -10.018 5.109 0.128 161 HD22 ASN 22 1HD2 ASN 22 -8.742 4.530 -0.830 162 H SER 23 H SER 23 -6.844 7.443 4.463 163 HA SER 23 HA SER 23 -8.407 7.458 6.927 164 HB2 SER 23 1HB SER 23 -6.010 7.966 6.988 165 HB3 SER 23 2HB SER 23 -6.251 9.335 5.908 166 HG SER 23 HG SER 23 -7.931 9.798 7.758 167 H HIS 24 H HIS 24 -7.596 10.269 4.889 168 HA HIS 24 HA HIS 24 -10.080 11.586 5.644 169 HB2 HIS 24 1HB HIS 24 -7.928 12.339 3.647 170 HB3 HIS 24 2HB HIS 24 -9.265 13.387 4.125 171 HD1 HIS 24 HD1 HIS 24 -5.970 12.110 5.263 172 HD2 HIS 24 HD2 HIS 24 -9.157 14.242 6.897 173 HE1 HIS 24 HE1 HIS 24 -5.132 13.093 7.442 174 H ASN 25 H ASN 25 -10.973 9.324 4.482 175 HA ASN 25 HA ASN 25 -12.573 10.298 2.301 176 HB2 ASN 25 1HB ASN 25 -10.436 9.943 1.063 177 HB3 ASN 25 2HB ASN 25 -10.468 8.252 1.550 178 HD21 ASN 25 2HD2 ASN 25 -10.550 8.911 -1.204 179 HD22 ASN 25 1HD2 ASN 25 -12.087 8.532 -1.817 180 H ASP 26 H ASP 26 -14.364 8.981 2.051 181 HA ASP 26 HA ASP 26 -14.611 6.733 3.938 182 HB2 ASP 26 1HB ASP 26 -16.986 6.714 3.134 183 HB3 ASP 26 2HB ASP 26 -16.479 8.281 3.766 184 H ALA 27 H ALA 27 -13.365 7.001 0.906 185 HA ALA 27 HA ALA 27 -14.617 4.675 -0.342 186 HB1 ALA 27 3HB ALA 27 -12.056 6.151 -1.038 187 HB2 ALA 27 1HB ALA 27 -13.651 6.497 -1.707 188 HB3 ALA 27 2HB ALA 27 -12.863 4.959 -2.057 189 H VAL 28 H VAL 28 -14.124 2.612 0.184 190 HA VAL 28 HA VAL 28 -11.367 1.979 1.179 191 HB VAL 28 HB VAL 28 -13.987 0.897 2.271 192 HG11 VAL 28 1HG1 VAL 28 -11.089 0.270 2.896 193 HG12 VAL 28 2HG1 VAL 28 -12.313 -0.845 2.294 194 HG13 VAL 28 3HG1 VAL 28 -12.432 -0.205 3.933 195 HG21 VAL 28 3HG2 VAL 28 -13.645 3.085 3.170 196 HG22 VAL 28 1HG2 VAL 28 -11.910 2.819 3.346 197 HG23 VAL 28 2HG2 VAL 28 -13.043 1.973 4.400 198 H ALA 29 H ALA 29 -10.467 0.235 0.172 199 HA ALA 29 HA ALA 29 -12.203 -1.344 -1.703 200 HB1 ALA 29 3HB ALA 29 -10.268 -1.687 -3.050 201 HB2 ALA 29 1HB ALA 29 -9.184 -1.153 -1.766 202 HB3 ALA 29 2HB ALA 29 -10.211 0.016 -2.595 203 H PHE 30 H PHE 30 -12.548 -3.441 -1.152 204 HA PHE 30 HA PHE 30 -10.785 -4.675 0.940 205 HB2 PHE 30 1HB PHE 30 -13.693 -5.102 0.217 206 HB3 PHE 30 2HB PHE 30 -12.796 -6.220 1.247 207 HD1 PHE 30 HD2 PHE 30 -11.589 -5.255 3.303 208 HD2 PHE 30 HD1 PHE 30 -14.620 -3.119 1.132 209 HE1 PHE 30 HE2 PHE 30 -11.923 -3.754 5.247 210 HE2 PHE 30 HE1 PHE 30 -14.953 -1.617 3.078 211 HZ PHE 30 HZ PHE 30 -13.604 -1.934 5.135 212 H GLU 31 H GLU 31 -9.988 -6.748 0.621 213 HA GLU 31 HA GLU 31 -9.089 -8.500 -0.640 214 HB2 GLU 31 1HB GLU 31 -11.853 -8.299 -1.869 215 HB3 GLU 31 2HB GLU 31 -10.725 -9.615 -2.192 216 HG2 GLU 31 1HG GLU 31 -10.664 -10.178 0.198 217 HG3 GLU 31 2HG GLU 31 -11.750 -8.834 0.553 218 H VAL 32 H VAL 32 -7.922 -6.298 -1.497 219 HA VAL 32 HA VAL 32 -8.313 -6.124 -4.463 220 HB VAL 32 HB VAL 32 -8.273 -4.028 -3.013 221 HG11 VAL 32 1HG1 VAL 32 -6.248 -3.262 -2.078 222 HG12 VAL 32 2HG1 VAL 32 -5.286 -4.445 -2.963 223 HG13 VAL 32 3HG1 VAL 32 -6.309 -4.964 -1.624 224 HG21 VAL 32 3HG2 VAL 32 -7.851 -4.053 -5.472 225 HG22 VAL 32 1HG2 VAL 32 -6.129 -4.254 -5.147 226 HG23 VAL 32 2HG2 VAL 32 -6.955 -2.778 -4.646 227 H LYS 33 H LYS 33 -6.930 -7.262 -5.711 228 HA LYS 33 HA LYS 33 -4.486 -8.410 -4.477 229 HB2 LYS 33 1HB LYS 33 -4.431 -9.856 -6.442 230 HB3 LYS 33 2HB LYS 33 -6.056 -9.865 -5.763 231 HG2 LYS 33 1HG LYS 33 -6.687 -8.091 -7.422 232 HG3 LYS 33 2HG LYS 33 -5.103 -8.284 -8.166 233 HD2 LYS 33 1HD LYS 33 -5.578 -10.656 -8.599 234 HD3 LYS 33 2HD LYS 33 -7.163 -10.482 -7.845 235 HE2 LYS 33 1HE LYS 33 -7.780 -8.792 -9.542 236 HE3 LYS 33 2HE LYS 33 -6.201 -8.987 -10.304 237 HZ1 LYS 33 3HZ LYS 33 -7.477 -10.423 -11.523 238 HZ2 LYS 33 1HZ LYS 33 -8.468 -10.851 -10.215 239 HZ3 LYS 33 2HZ LYS 33 -6.893 -11.478 -10.326 240 H LEU 34 H LEU 34 -2.436 -7.789 -5.068 241 HA LEU 34 HA LEU 34 -2.119 -5.907 -7.375 242 HB2 LEU 34 1HB LEU 34 -0.967 -5.562 -4.588 243 HB3 LEU 34 2HB LEU 34 -0.533 -4.576 -5.982 244 HG LEU 34 HG LEU 34 -3.362 -4.865 -4.923 245 HD11 LEU 34 1HD1 LEU 34 -1.479 -2.515 -4.582 246 HD12 LEU 34 2HD1 LEU 34 -1.752 -3.734 -3.336 247 HD13 LEU 34 3HD1 LEU 34 -3.084 -2.712 -3.876 248 HD21 LEU 34 3HD2 LEU 34 -2.068 -3.279 -7.141 249 HD22 LEU 34 1HD2 LEU 34 -3.477 -2.613 -6.313 250 HD23 LEU 34 2HD2 LEU 34 -3.597 -4.159 -7.145 251 H ALA 35 H ALA 35 -0.238 -6.205 -8.537 252 HA ALA 35 HA ALA 35 1.127 -8.723 -8.231 253 HB1 ALA 35 3HB ALA 35 1.217 -8.111 -10.451 254 HB2 ALA 35 1HB ALA 35 2.732 -7.354 -9.963 255 HB3 ALA 35 2HB ALA 35 1.258 -6.392 -10.078 256 H LYS 36 H LYS 36 3.158 -9.158 -7.385 257 HA LYS 36 HA LYS 36 4.158 -7.310 -5.375 258 HB2 LYS 36 1HB LYS 36 5.225 -9.947 -6.424 259 HB3 LYS 36 2HB LYS 36 5.937 -9.055 -5.080 260 HG2 LYS 36 1HG LYS 36 3.850 -9.206 -3.820 261 HG3 LYS 36 2HG LYS 36 3.056 -9.991 -5.183 262 HD2 LYS 36 1HD LYS 36 3.647 -11.794 -3.776 263 HD3 LYS 36 2HD LYS 36 4.920 -11.781 -4.993 264 HE2 LYS 36 1HE LYS 36 6.440 -10.657 -3.493 265 HE3 LYS 36 2HE LYS 36 5.157 -10.379 -2.315 266 HZ1 LYS 36 3HZ LYS 36 6.683 -12.778 -2.864 267 HZ2 LYS 36 1HZ LYS 36 5.023 -13.021 -2.615 268 HZ3 LYS 36 2HZ LYS 36 5.956 -12.254 -1.421 269 H ASP 37 H ASP 37 4.766 -7.798 -8.713 270 HA ASP 37 HA ASP 37 7.518 -6.805 -8.675 271 HB2 ASP 37 1HB ASP 37 5.531 -7.263 -10.919 272 HB3 ASP 37 2HB ASP 37 7.189 -6.718 -11.173 273 H LEU 38 H LEU 38 4.607 -5.329 -8.138 274 HA LEU 38 HA LEU 38 4.983 -2.926 -9.737 275 HB2 LEU 38 1HB LEU 38 3.213 -3.535 -7.357 276 HB3 LEU 38 2HB LEU 38 3.168 -2.015 -8.246 277 HG LEU 38 HG LEU 38 2.782 -4.725 -9.542 278 HD11 LEU 38 1HD1 LEU 38 0.335 -3.962 -9.610 279 HD12 LEU 38 2HD1 LEU 38 0.785 -2.771 -8.389 280 HD13 LEU 38 3HD1 LEU 38 0.947 -4.493 -8.043 281 HD21 LEU 38 3HD2 LEU 38 2.595 -1.861 -10.476 282 HD22 LEU 38 1HD2 LEU 38 1.568 -3.081 -11.229 283 HD23 LEU 38 2HD2 LEU 38 3.319 -3.252 -11.284 284 H THR 39 H THR 39 5.858 -0.974 -9.095 285 HA THR 39 HA THR 39 7.671 -1.072 -6.773 286 HB THR 39 HB THR 39 8.718 0.828 -7.693 287 HG1 THR 39 HG1 THR 39 7.548 2.006 -9.396 288 HG21 THR 39 3HG2 THR 39 8.881 -1.202 -9.136 289 HG22 THR 39 1HG2 THR 39 9.030 0.301 -10.047 290 HG23 THR 39 2HG2 THR 39 7.515 -0.601 -10.077 291 H VAL 40 H VAL 40 7.750 0.916 -5.353 292 HA VAL 40 HA VAL 40 5.229 1.317 -4.060 293 HB VAL 40 HB VAL 40 7.858 2.804 -3.893 294 HG11 VAL 40 1HG1 VAL 40 6.882 3.657 -1.696 295 HG12 VAL 40 2HG1 VAL 40 5.309 3.131 -2.296 296 HG13 VAL 40 3HG1 VAL 40 6.212 4.378 -3.159 297 HG21 VAL 40 3HG2 VAL 40 8.235 1.502 -1.930 298 HG22 VAL 40 1HG2 VAL 40 7.639 0.366 -3.140 299 HG23 VAL 40 2HG2 VAL 40 6.557 0.962 -1.881 300 H ALA 41 H ALA 41 7.132 3.383 -6.264 301 HA ALA 41 HA ALA 41 5.390 5.633 -6.222 302 HB1 ALA 41 3HB ALA 41 6.966 4.664 -8.625 303 HB2 ALA 41 1HB ALA 41 7.700 5.524 -7.270 304 HB3 ALA 41 2HB ALA 41 6.478 6.319 -8.262 305 H GLN 42 H GLN 42 5.361 2.676 -8.195 306 HA GLN 42 HA GLN 42 3.154 3.449 -9.865 307 HB2 GLN 42 1HB GLN 42 4.188 0.725 -9.020 308 HB3 GLN 42 2HB GLN 42 2.915 0.957 -10.218 309 HG2 GLN 42 1HG GLN 42 5.662 2.217 -10.428 310 HG3 GLN 42 2HG GLN 42 5.223 0.697 -11.206 311 HE21 GLN 42 2HE2 GLN 42 5.774 3.648 -12.203 312 HE22 GLN 42 1HE2 GLN 42 4.499 3.909 -13.291 313 H LEU 43 H LEU 43 3.373 1.791 -6.731 314 HA LEU 43 HA LEU 43 0.597 1.154 -6.493 315 HB2 LEU 43 1HB LEU 43 2.307 0.173 -5.017 316 HB3 LEU 43 2HB LEU 43 2.646 1.760 -4.333 317 HG LEU 43 HG LEU 43 0.366 1.892 -3.434 318 HD11 LEU 43 1HD1 LEU 43 0.037 -0.664 -4.998 319 HD12 LEU 43 2HD1 LEU 43 -1.040 0.730 -4.906 320 HD13 LEU 43 3HD1 LEU 43 -0.940 -0.393 -3.554 321 HD21 LEU 43 3HD2 LEU 43 1.528 -0.821 -2.762 322 HD22 LEU 43 1HD2 LEU 43 0.614 0.250 -1.701 323 HD23 LEU 43 2HD2 LEU 43 2.246 0.691 -2.206 324 H LYS 44 H LYS 44 2.476 4.011 -5.481 325 HA LYS 44 HA LYS 44 0.319 5.392 -4.217 326 HB2 LYS 44 1HB LYS 44 2.853 6.368 -5.551 327 HB3 LYS 44 2HB LYS 44 1.718 7.460 -4.755 328 HG2 LYS 44 1HG LYS 44 1.963 6.222 -2.651 329 HG3 LYS 44 2HG LYS 44 3.056 5.080 -3.435 330 HD2 LYS 44 1HD LYS 44 4.697 6.808 -3.825 331 HD3 LYS 44 2HD LYS 44 3.581 8.060 -3.280 332 HE2 LYS 44 1HE LYS 44 5.193 7.511 -1.503 333 HE3 LYS 44 2HE LYS 44 3.561 7.052 -1.021 334 HZ1 LYS 44 3HZ LYS 44 4.559 5.111 -0.557 335 HZ2 LYS 44 1HZ LYS 44 5.858 5.384 -1.612 336 HZ3 LYS 44 2HZ LYS 44 4.375 4.822 -2.220 337 H THR 45 H THR 45 1.440 5.368 -7.599 338 HA THR 45 HA THR 45 -0.338 7.395 -8.535 339 HB THR 45 HB THR 45 0.008 6.216 -10.763 340 HG1 THR 45 HG1 THR 45 0.642 4.240 -10.600 341 HG21 THR 45 3HG2 THR 45 2.401 6.922 -9.054 342 HG22 THR 45 1HG2 THR 45 1.472 8.024 -10.069 343 HG23 THR 45 2HG2 THR 45 2.447 6.755 -10.809 344 H LYS 46 H LYS 46 -0.684 3.844 -8.349 345 HA LYS 46 HA LYS 46 -3.293 3.738 -9.529 346 HB2 LYS 46 1HB LYS 46 -1.913 1.909 -7.542 347 HB3 LYS 46 2HB LYS 46 -3.454 1.532 -8.313 348 HG2 LYS 46 1HG LYS 46 -2.412 1.669 -10.526 349 HG3 LYS 46 2HG LYS 46 -0.871 2.116 -9.790 350 HD2 LYS 46 1HD LYS 46 -0.832 -0.045 -8.581 351 HD3 LYS 46 2HD LYS 46 -2.351 -0.497 -9.355 352 HE2 LYS 46 1HE LYS 46 0.163 0.223 -10.885 353 HE3 LYS 46 2HE LYS 46 -0.305 -1.432 -10.493 354 HZ1 LYS 46 3HZ LYS 46 -1.681 -1.436 -12.207 355 HZ2 LYS 46 1HZ LYS 46 -1.176 0.128 -12.627 356 HZ3 LYS 46 2HZ LYS 46 -2.510 -0.085 -11.597 357 H LEU 47 H LEU 47 -2.235 3.927 -6.131 358 HA LEU 47 HA LEU 47 -4.891 3.982 -5.038 359 HB2 LEU 47 1HB LEU 47 -2.253 4.973 -3.926 360 HB3 LEU 47 2HB LEU 47 -3.749 4.897 -2.996 361 HG LEU 47 HG LEU 47 -2.494 2.512 -4.386 362 HD11 LEU 47 1HD1 LEU 47 -1.100 3.482 -2.523 363 HD12 LEU 47 2HD1 LEU 47 -1.647 1.832 -2.231 364 HD13 LEU 47 3HD1 LEU 47 -2.452 3.181 -1.431 365 HD21 LEU 47 3HD2 LEU 47 -4.727 1.906 -4.076 366 HD22 LEU 47 1HD2 LEU 47 -4.922 2.926 -2.649 367 HD23 LEU 47 2HD2 LEU 47 -4.050 1.398 -2.534 368 H GLU 48 H GLU 48 -2.654 6.515 -6.095 369 HA GLU 48 HA GLU 48 -3.970 8.789 -5.105 370 HB2 GLU 48 1HB GLU 48 -1.812 8.803 -6.375 371 HB3 GLU 48 2HB GLU 48 -2.720 8.509 -7.857 372 HG2 GLU 48 1HG GLU 48 -3.978 10.604 -7.503 373 HG3 GLU 48 2HG GLU 48 -3.063 10.895 -6.023 374 H ILE 49 H ILE 49 -4.593 7.048 -8.163 375 HA ILE 49 HA ILE 49 -6.799 8.698 -8.970 376 HB ILE 49 HB ILE 49 -6.109 5.812 -9.609 377 HG12 ILE 49 1HG1 ILE 49 -5.833 8.305 -11.308 378 HG13 ILE 49 2HG1 ILE 49 -4.524 7.675 -10.307 379 HG21 ILE 49 1HG2 ILE 49 -8.440 6.024 -10.063 380 HG22 ILE 49 2HG2 ILE 49 -7.642 6.280 -11.615 381 HG23 ILE 49 3HG2 ILE 49 -8.244 7.659 -10.695 382 HD11 ILE 49 3HD1 ILE 49 -4.365 6.861 -12.648 383 HD12 ILE 49 1HD1 ILE 49 -5.955 6.116 -12.481 384 HD13 ILE 49 2HD1 ILE 49 -4.604 5.536 -11.508 385 H LEU 50 H LEU 50 -6.609 5.657 -7.143 386 HA LEU 50 HA LEU 50 -9.415 5.247 -6.833 387 HB2 LEU 50 1HB LEU 50 -7.642 3.548 -6.400 388 HB3 LEU 50 2HB LEU 50 -7.180 4.434 -4.952 389 HG LEU 50 HG LEU 50 -10.088 3.771 -5.138 390 HD11 LEU 50 1HD1 LEU 50 -9.089 1.701 -6.046 391 HD12 LEU 50 2HD1 LEU 50 -9.760 1.434 -4.437 392 HD13 LEU 50 3HD1 LEU 50 -8.018 1.607 -4.647 393 HD21 LEU 50 3HD2 LEU 50 -9.718 3.205 -2.746 394 HD22 LEU 50 1HD2 LEU 50 -9.107 4.815 -3.127 395 HD23 LEU 50 2HD2 LEU 50 -7.986 3.464 -2.962 396 H THR 51 H THR 51 -7.067 7.002 -4.794 397 HA THR 51 HA THR 51 -9.248 7.794 -2.944 398 HB THR 51 HB THR 51 -7.483 8.717 -1.566 399 HG1 THR 51 HG1 THR 51 -6.102 9.645 -2.949 400 HG21 THR 51 3HG2 THR 51 -7.810 6.197 -1.704 401 HG22 THR 51 1HG2 THR 51 -6.241 6.726 -1.094 402 HG23 THR 51 2HG2 THR 51 -6.397 6.160 -2.758 403 H GLY 52 H GLY 52 -7.593 9.007 -5.708 404 HA2 GLY 52 1HA GLY 52 -7.879 11.033 -6.867 405 HA3 GLY 52 2HA GLY 52 -9.240 11.369 -5.794 406 H GLY 53 H GLY 53 -6.575 10.662 -3.925 407 HA2 GLY 53 1HA GLY 53 -6.305 13.436 -3.078 408 HA3 GLY 53 2HA GLY 53 -5.433 12.061 -2.408 409 H CYS 54 H CYS 54 -3.679 13.815 -2.529 410 HA CYS 54 HA CYS 54 -2.472 14.038 -5.251 411 HB2 CYS 54 1HB CYS 54 -1.620 15.396 -2.679 412 HB3 CYS 54 2HB CYS 54 -1.112 15.801 -4.318 413 HG CYS 54 HG CYS 54 -3.935 16.382 -3.135 414 H ALA 55 H ALA 55 -0.960 12.559 -5.755 415 HA ALA 55 HA ALA 55 0.131 10.687 -3.903 416 HB1 ALA 55 3HB ALA 55 1.160 11.546 -6.625 417 HB2 ALA 55 1HB ALA 55 0.053 10.212 -6.299 418 HB3 ALA 55 2HB ALA 55 1.721 10.129 -5.737 419 H GLY 56 H GLY 56 1.128 13.914 -4.789 420 HA2 GLY 56 1HA GLY 56 3.863 13.625 -3.830 421 HA3 GLY 56 2HA GLY 56 3.061 15.147 -4.218 422 H THR 57 H THR 57 0.829 13.983 -2.315 423 HA THR 57 HA THR 57 2.154 14.798 0.261 424 HB THR 57 HB THR 57 0.258 16.055 0.862 425 HG1 THR 57 HG1 THR 57 -1.644 15.388 0.335 426 HG21 THR 57 3HG2 THR 57 -0.140 17.587 -0.994 427 HG22 THR 57 1HG2 THR 57 0.436 16.382 -2.146 428 HG23 THR 57 2HG2 THR 57 1.556 17.104 -0.991 429 H MET 58 H MET 58 0.676 12.333 -1.421 430 HA MET 58 HA MET 58 -0.772 11.182 0.880 431 HB2 MET 58 1HB MET 58 -1.583 11.018 -1.524 432 HB3 MET 58 2HB MET 58 -0.232 9.927 -1.816 433 HG2 MET 58 1HG MET 58 -1.063 8.301 -0.314 434 HG3 MET 58 2HG MET 58 -2.206 9.436 0.393 435 HE1 MET 58 3HE MET 58 -0.946 7.900 -2.756 436 HE2 MET 58 1HE MET 58 -1.689 9.243 -3.637 437 HE3 MET 58 2HE MET 58 -2.341 7.615 -3.795 438 H LYS 59 H LYS 59 0.135 9.771 2.273 439 HA LYS 59 HA LYS 59 2.769 8.513 1.556 440 HB2 LYS 59 1HB LYS 59 1.639 9.298 4.259 441 HB3 LYS 59 2HB LYS 59 3.149 8.419 4.021 442 HG2 LYS 59 1HG LYS 59 3.985 10.310 2.623 443 HG3 LYS 59 2HG LYS 59 2.514 11.203 2.997 444 HD2 LYS 59 1HD LYS 59 4.518 10.182 5.036 445 HD3 LYS 59 2HD LYS 59 4.381 11.853 4.496 446 HE2 LYS 59 1HE LYS 59 2.485 10.257 6.202 447 HE3 LYS 59 2HE LYS 59 3.126 11.874 6.472 448 HZ1 LYS 59 3HZ LYS 59 0.825 11.980 5.807 449 HZ2 LYS 59 1HZ LYS 59 1.152 11.102 4.394 450 HZ3 LYS 59 2HZ LYS 59 1.803 12.659 4.595 451 H VAL 60 H VAL 60 3.035 6.316 2.074 452 HA VAL 60 HA VAL 60 0.510 4.823 2.733 453 HB VAL 60 HB VAL 60 2.811 4.116 0.888 454 HG11 VAL 60 1HG1 VAL 60 2.321 2.077 2.017 455 HG12 VAL 60 2HG1 VAL 60 1.400 2.001 0.515 456 HG13 VAL 60 3HG1 VAL 60 0.588 2.409 2.026 457 HG21 VAL 60 3HG2 VAL 60 0.892 5.598 0.093 458 HG22 VAL 60 1HG2 VAL 60 -0.167 4.211 0.347 459 HG23 VAL 60 2HG2 VAL 60 1.141 4.118 -0.832 460 H GLN 61 H GLN 61 0.622 3.510 4.485 461 HA GLN 61 HA GLN 61 3.323 2.763 5.557 462 HB2 GLN 61 1HB GLN 61 0.938 3.850 7.077 463 HB3 GLN 61 2HB GLN 61 2.299 3.044 7.857 464 HG2 GLN 61 1HG GLN 61 3.843 4.708 6.897 465 HG3 GLN 61 2HG GLN 61 2.489 5.513 6.105 466 HE21 GLN 61 2HE2 GLN 61 2.211 7.441 7.264 467 HE22 GLN 61 1HE2 GLN 61 2.073 7.534 8.953 468 H VAL 62 H VAL 62 3.430 0.712 6.464 469 HA VAL 62 HA VAL 62 1.188 -1.096 5.751 470 HB VAL 62 HB VAL 62 4.003 -1.678 6.728 471 HG11 VAL 62 1HG1 VAL 62 2.537 -3.511 7.315 472 HG12 VAL 62 2HG1 VAL 62 3.449 -3.991 5.884 473 HG13 VAL 62 3HG1 VAL 62 1.772 -3.469 5.726 474 HG21 VAL 62 3HG2 VAL 62 3.670 -0.602 4.417 475 HG22 VAL 62 1HG2 VAL 62 2.854 -2.098 3.961 476 HG23 VAL 62 2HG2 VAL 62 4.547 -2.132 4.453 477 H PHE 63 H PHE 63 -0.140 -1.957 7.275 478 HA PHE 63 HA PHE 63 0.669 -1.768 10.156 479 HB2 PHE 63 1HB PHE 63 -1.948 -1.041 8.841 480 HB3 PHE 63 2HB PHE 63 -1.887 -1.500 10.543 481 HD1 PHE 63 HD1 PHE 63 -0.245 -0.265 12.071 482 HD2 PHE 63 HD2 PHE 63 -1.368 1.162 8.175 483 HE1 PHE 63 HE1 PHE 63 0.524 2.013 12.681 484 HE2 PHE 63 HE2 PHE 63 -0.600 3.439 8.789 485 HZ PHE 63 HZ PHE 63 0.348 3.865 11.041 486 H LYS 64 H LYS 64 0.339 -3.557 11.359 487 HA LYS 64 HA LYS 64 -1.299 -5.784 10.235 488 HB2 LYS 64 1HB LYS 64 1.117 -6.150 9.654 489 HB3 LYS 64 2HB LYS 64 1.492 -6.127 11.377 490 HG2 LYS 64 1HG LYS 64 0.031 -8.044 11.762 491 HG3 LYS 64 2HG LYS 64 -0.461 -8.039 10.068 492 HD2 LYS 64 1HD LYS 64 1.870 -8.482 9.387 493 HD3 LYS 64 2HD LYS 64 2.363 -8.493 11.081 494 HE2 LYS 64 1HE LYS 64 2.040 -10.791 10.338 495 HE3 LYS 64 2HE LYS 64 0.768 -10.376 11.486 496 HZ1 LYS 64 3HZ LYS 64 -0.466 -11.275 9.816 497 HZ2 LYS 64 1HZ LYS 64 0.602 -10.788 8.592 498 HZ3 LYS 64 2HZ LYS 64 -0.451 -9.658 9.297 499 H GLY 65 H GLY 65 -2.778 -4.982 11.914 500 HA2 GLY 65 1HA GLY 65 -3.774 -5.665 13.983 501 HA3 GLY 65 2HA GLY 65 -2.199 -6.240 14.533 502 H ASP 66 H ASP 66 -1.683 -5.064 16.315 503 HA ASP 66 HA ASP 66 -2.340 -2.158 16.407 504 HB2 ASP 66 1HB ASP 66 -1.682 -2.389 18.814 505 HB3 ASP 66 2HB ASP 66 -3.018 -3.444 18.352 506 H THR 67 H THR 67 0.118 -3.886 15.197 507 HA THR 67 HA THR 67 2.203 -1.912 16.082 508 HB THR 67 HB THR 67 2.588 -4.846 15.414 509 HG1 THR 67 HG1 THR 67 1.679 -4.017 17.546 510 HG21 THR 67 3HG2 THR 67 4.530 -3.652 14.702 511 HG22 THR 67 1HG2 THR 67 4.926 -4.319 16.286 512 HG23 THR 67 2HG2 THR 67 4.499 -2.615 16.128 513 H CYS 68 H CYS 68 3.201 -0.848 14.437 514 HA CYS 68 HA CYS 68 2.321 -1.354 11.697 515 HB2 CYS 68 1HB CYS 68 4.000 0.567 11.243 516 HB3 CYS 68 2HB CYS 68 2.573 0.941 12.210 517 HG CYS 68 HG CYS 68 5.344 1.287 13.186 518 H VAL 69 H VAL 69 3.423 -2.532 10.180 519 HA VAL 69 HA VAL 69 5.778 -4.028 10.958 520 HB VAL 69 HB VAL 69 4.718 -3.665 8.147 521 HG11 VAL 69 1HG1 VAL 69 6.876 -4.835 8.386 522 HG12 VAL 69 2HG1 VAL 69 5.611 -5.950 7.868 523 HG13 VAL 69 3HG1 VAL 69 6.148 -5.944 9.548 524 HG21 VAL 69 3HG2 VAL 69 3.266 -5.617 8.622 525 HG22 VAL 69 1HG2 VAL 69 2.847 -4.243 9.645 526 HG23 VAL 69 2HG2 VAL 69 3.783 -5.583 10.307 527 H SER 70 H SER 70 5.257 -1.491 8.473 528 HA SER 70 HA SER 70 7.741 -0.164 9.041 529 HB2 SER 70 1HB SER 70 8.491 -2.360 7.894 530 HB3 SER 70 2HB SER 70 7.789 -1.691 6.428 531 HG SER 70 HG SER 70 9.972 -0.792 7.959 532 H THR 71 H THR 71 8.209 1.512 7.311 533 HA THR 71 HA THR 71 5.681 2.333 5.906 534 HB THR 71 HB THR 71 7.891 4.034 7.105 535 HG1 THR 71 HG1 THR 71 6.426 3.271 8.621 536 HG21 THR 71 3HG2 THR 71 7.232 5.249 5.209 537 HG22 THR 71 1HG2 THR 71 6.160 5.878 6.459 538 HG23 THR 71 2HG2 THR 71 5.562 4.688 5.304 539 H MET 72 H MET 72 5.853 2.464 3.725 540 HA MET 72 HA MET 72 8.251 1.705 2.360 541 HB2 MET 72 1HB MET 72 5.720 3.046 1.372 542 HB3 MET 72 2HB MET 72 6.997 2.447 0.310 543 HG2 MET 72 1HG MET 72 6.725 0.186 1.222 544 HG3 MET 72 2HG MET 72 5.486 0.768 2.332 545 HE1 MET 72 3HE MET 72 4.826 -1.441 1.197 546 HE2 MET 72 1HE MET 72 3.689 -1.495 -0.157 547 HE3 MET 72 2HE MET 72 3.222 -0.732 1.361 548 H ASP 73 H ASP 73 9.914 3.136 3.048 549 HA ASP 73 HA ASP 73 9.620 6.025 2.399 550 HB2 ASP 73 1HB ASP 73 11.831 6.219 3.539 551 HB3 ASP 73 2HB ASP 73 10.601 5.486 4.569 552 H ASN 74 H ASN 74 11.308 3.128 1.345 553 HA ASN 74 HA ASN 74 13.018 4.653 -0.525 554 HB2 ASN 74 1HB ASN 74 14.007 2.733 0.597 555 HB3 ASN 74 2HB ASN 74 12.725 1.683 0.002 556 HD21 ASN 74 2HD2 ASN 74 15.878 2.597 -0.640 557 HD22 ASN 74 1HD2 ASN 74 15.933 2.242 -2.298 558 H ASN 75 H ASN 75 11.960 5.389 -2.295 559 HA ASN 75 HA ASN 75 9.599 4.234 -3.405 560 HB2 ASN 75 1HB ASN 75 11.664 6.124 -4.554 561 HB3 ASN 75 2HB ASN 75 10.191 5.670 -5.414 562 HD21 ASN 75 2HD2 ASN 75 10.670 8.383 -4.587 563 HD22 ASN 75 1HD2 ASN 75 9.533 8.781 -3.392 564 H ASP 76 H ASP 76 13.025 3.849 -4.182 565 HA ASP 76 HA ASP 76 12.612 2.248 -6.543 566 HB2 ASP 76 1HB ASP 76 14.732 3.506 -5.855 567 HB3 ASP 76 2HB ASP 76 15.039 2.177 -4.738 568 H ALA 77 H ALA 77 11.345 1.460 -3.802 569 HA ALA 77 HA ALA 77 12.447 -1.301 -3.545 570 HB1 ALA 77 3HB ALA 77 10.422 0.177 -1.838 571 HB2 ALA 77 1HB ALA 77 12.137 -0.001 -1.474 572 HB3 ALA 77 2HB ALA 77 11.092 -1.419 -1.498 573 H GLN 78 H GLN 78 11.080 -3.128 -3.775 574 HA GLN 78 HA GLN 78 8.849 -2.729 -5.651 575 HB2 GLN 78 1HB GLN 78 10.176 -5.208 -4.536 576 HB3 GLN 78 2HB GLN 78 8.818 -5.249 -5.662 577 HG2 GLN 78 1HG GLN 78 10.109 -3.993 -7.315 578 HG3 GLN 78 2HG GLN 78 11.458 -3.856 -6.187 579 HE21 GLN 78 2HE2 GLN 78 10.378 -5.669 -8.783 580 HE22 GLN 78 1HE2 GLN 78 11.238 -7.102 -8.489 581 H LEU 79 H LEU 79 6.746 -3.759 -5.283 582 HA LEU 79 HA LEU 79 5.605 -3.078 -2.759 583 HB2 LEU 79 1HB LEU 79 4.266 -3.174 -4.811 584 HB3 LEU 79 2HB LEU 79 4.556 -4.907 -4.945 585 HG LEU 79 HG LEU 79 3.341 -5.307 -2.855 586 HD11 LEU 79 1HD1 LEU 79 3.700 -3.456 -1.466 587 HD12 LEU 79 2HD1 LEU 79 2.033 -3.196 -1.975 588 HD13 LEU 79 3HD1 LEU 79 3.340 -2.295 -2.745 589 HD21 LEU 79 3HD2 LEU 79 1.956 -5.336 -4.802 590 HD22 LEU 79 1HD2 LEU 79 1.953 -3.576 -4.913 591 HD23 LEU 79 2HD2 LEU 79 1.078 -4.379 -3.609 592 H GLY 80 H GLY 80 6.611 -6.228 -4.111 593 HA2 GLY 80 1HA GLY 80 5.718 -7.725 -1.798 594 HA3 GLY 80 2HA GLY 80 6.814 -8.320 -3.043 595 H TYR 81 H TYR 81 8.230 -5.545 -2.199 596 HA TYR 81 HA TYR 81 10.355 -6.781 -0.735 597 HB2 TYR 81 1HB TYR 81 10.508 -4.639 -2.072 598 HB3 TYR 81 2HB TYR 81 9.658 -3.830 -0.756 599 HD1 TYR 81 HD1 TYR 81 10.704 -3.636 1.488 600 HD2 TYR 81 HD2 TYR 81 12.799 -5.350 -1.845 601 HE1 TYR 81 HE1 TYR 81 12.848 -3.391 2.711 602 HE2 TYR 81 HE2 TYR 81 14.942 -5.110 -0.623 603 HH TYR 81 HH TYR 81 15.624 -4.971 1.882 604 H TYR 82 H TYR 82 7.644 -4.712 0.318 605 HA TYR 82 HA TYR 82 8.282 -5.372 3.168 606 HB2 TYR 82 1HB TYR 82 6.453 -3.258 1.981 607 HB3 TYR 82 2HB TYR 82 6.770 -3.489 3.701 608 HD1 TYR 82 HD1 TYR 82 9.158 -3.269 4.550 609 HD2 TYR 82 HD2 TYR 82 7.953 -2.013 0.623 610 HE1 TYR 82 HE1 TYR 82 11.198 -1.870 4.370 611 HE2 TYR 82 HE2 TYR 82 9.993 -0.614 0.442 612 HH TYR 82 HH TYR 82 11.592 0.516 2.059 613 H ALA 83 H ALA 83 5.877 -5.736 0.642 614 HA ALA 83 HA ALA 83 3.980 -7.026 2.561 615 HB1 ALA 83 3HB ALA 83 3.620 -6.196 -0.336 616 HB2 ALA 83 1HB ALA 83 3.033 -5.311 1.073 617 HB3 ALA 83 2HB ALA 83 2.370 -6.900 0.690 618 H ASN 84 H ASN 84 5.904 -8.723 2.481 619 HA ASN 84 HA ASN 84 5.741 -10.513 0.128 620 HB2 ASN 84 1HB ASN 84 7.928 -9.994 1.257 621 HB3 ASN 84 2HB ASN 84 7.336 -10.837 2.688 622 HD21 ASN 84 2HD2 ASN 84 8.776 -12.648 2.581 623 HD22 ASN 84 1HD2 ASN 84 8.750 -13.768 1.306 624 H SER 85 H SER 85 3.768 -10.006 2.628 625 HA SER 85 HA SER 85 2.961 -12.880 2.791 626 HB2 SER 85 1HB SER 85 4.227 -12.301 4.850 627 HB3 SER 85 2HB SER 85 3.119 -10.965 5.143 628 HG SER 85 HG SER 85 2.841 -13.529 5.788 629 H ASP 86 H ASP 86 0.722 -13.179 2.899 630 HA ASP 86 HA ASP 86 -0.902 -10.879 2.061 631 HB2 ASP 86 1HB ASP 86 -2.689 -12.562 1.789 632 HB3 ASP 86 2HB ASP 86 -1.203 -13.080 0.992 633 H GLY 87 H GLY 87 -3.152 -10.678 3.128 634 HA2 GLY 87 1HA GLY 87 -4.519 -10.510 5.058 635 HA3 GLY 87 2HA GLY 87 -3.288 -11.380 5.974 636 H LEU 88 H LEU 88 -1.761 -8.976 4.273 637 HA LEU 88 HA LEU 88 -1.336 -7.394 6.685 638 HB2 LEU 88 1HB LEU 88 -0.408 -6.971 3.828 639 HB3 LEU 88 2HB LEU 88 0.138 -6.031 5.216 640 HG LEU 88 HG LEU 88 0.439 -9.038 4.943 641 HD11 LEU 88 1HD1 LEU 88 1.799 -7.606 3.341 642 HD12 LEU 88 2HD1 LEU 88 2.744 -8.642 4.410 643 HD13 LEU 88 3HD1 LEU 88 2.594 -6.920 4.757 644 HD21 LEU 88 3HD2 LEU 88 2.201 -8.415 6.843 645 HD22 LEU 88 1HD2 LEU 88 0.506 -8.670 7.249 646 HD23 LEU 88 2HD2 LEU 88 1.135 -7.030 7.081 647 H ARG 89 H ARG 89 -1.784 -5.109 6.846 648 HA ARG 89 HA ARG 89 -4.125 -4.207 5.190 649 HB2 ARG 89 1HB ARG 89 -4.681 -4.695 7.576 650 HB3 ARG 89 2HB ARG 89 -3.477 -3.505 8.071 651 HG2 ARG 89 1HG ARG 89 -4.694 -1.740 6.871 652 HG3 ARG 89 2HG ARG 89 -5.883 -2.920 6.316 653 HD2 ARG 89 1HD ARG 89 -6.519 -3.394 8.648 654 HD3 ARG 89 2HD ARG 89 -5.310 -2.243 9.216 655 HE ARG 89 HE ARG 89 -6.718 -0.454 8.513 656 HH11 ARG 89 1HH2 ARG 89 -7.860 -3.552 7.492 657 HH12 ARG 89 2HH2 ARG 89 -9.415 -2.962 7.016 658 HH21 ARG 89 1HH1 ARG 89 -8.740 0.322 7.887 659 HH22 ARG 89 2HH1 ARG 89 -9.913 -0.773 7.236 660 H LEU 90 H LEU 90 -3.726 -2.419 4.027 661 HA LEU 90 HA LEU 90 -1.335 -0.747 4.704 662 HB2 LEU 90 1HB LEU 90 -2.893 -0.914 2.105 663 HB3 LEU 90 2HB LEU 90 -1.379 -0.050 2.372 664 HG LEU 90 HG LEU 90 -1.748 -3.048 2.654 665 HD11 LEU 90 1HD1 LEU 90 -1.880 -2.396 0.321 666 HD12 LEU 90 2HD1 LEU 90 -0.290 -3.104 0.610 667 HD13 LEU 90 3HD1 LEU 90 -0.467 -1.354 0.490 668 HD21 LEU 90 3HD2 LEU 90 0.573 -1.165 3.088 669 HD22 LEU 90 1HD2 LEU 90 0.873 -2.825 2.573 670 HD23 LEU 90 2HD2 LEU 90 0.035 -2.514 4.090 671 H HIS 91 H HIS 91 -1.664 1.312 5.357 672 HA HIS 91 HA HIS 91 -4.437 2.446 5.146 673 HB2 HIS 91 1HB HIS 91 -3.597 1.984 7.467 674 HB3 HIS 91 2HB HIS 91 -2.285 3.126 7.171 675 HD1 HIS 91 HD1 HIS 91 -6.083 3.198 6.686 676 HD2 HIS 91 HD2 HIS 91 -2.994 5.612 8.105 677 HE1 HIS 91 HE1 HIS 91 -7.155 5.365 7.442 678 H VAL 92 H VAL 92 -4.606 4.153 3.816 679 HA VAL 92 HA VAL 92 -2.150 5.508 2.854 680 HB VAL 92 HB VAL 92 -5.061 5.721 2.022 681 HG11 VAL 92 1HG1 VAL 92 -4.006 7.826 1.552 682 HG12 VAL 92 2HG1 VAL 92 -4.065 6.926 0.038 683 HG13 VAL 92 3HG1 VAL 92 -2.557 7.025 0.945 684 HG21 VAL 92 3HG2 VAL 92 -3.840 3.571 1.509 685 HG22 VAL 92 1HG2 VAL 92 -2.697 4.521 0.559 686 HG23 VAL 92 2HG2 VAL 92 -4.393 4.449 0.083 687 H VAL 93 H VAL 93 -1.531 7.427 3.702 688 HA VAL 93 HA VAL 93 -3.469 8.937 5.421 689 HB VAL 93 HB VAL 93 -0.434 8.974 5.364 690 HG11 VAL 93 1HG1 VAL 93 -0.830 10.227 7.565 691 HG12 VAL 93 2HG1 VAL 93 -2.496 10.439 7.025 692 HG13 VAL 93 3HG1 VAL 93 -1.169 11.126 6.086 693 HG21 VAL 93 3HG2 VAL 93 -1.562 6.889 6.260 694 HG22 VAL 93 1HG2 VAL 93 -2.323 7.908 7.483 695 HG23 VAL 93 2HG2 VAL 93 -0.567 7.746 7.438 696 H ASP 94 H ASP 94 -4.383 10.548 4.254 697 HA ASP 94 HA ASP 94 -2.782 11.943 2.163 698 HB2 ASP 94 1HB ASP 94 -5.114 11.065 1.688 699 HB3 ASP 94 2HB ASP 94 -5.722 12.284 2.808 700 H SER 95 H SER 95 -1.632 13.633 2.966 701 HA SER 95 HA SER 95 -3.010 15.829 4.270 702 HB2 SER 95 1HB SER 95 -1.506 15.755 6.324 703 HB3 SER 95 2HB SER 95 -2.776 14.536 6.270 704 HG SER 95 HG SER 95 -1.040 13.337 6.671 Start of MODEL 2 1 H1 MET 1 1H MET 1 -10.563 -25.348 -24.008 2 H2 MET 1 2H MET 1 -10.652 -24.117 -25.175 3 H3 MET 1 3H MET 1 -12.072 -24.729 -24.473 4 HA MET 1 HA MET 1 -11.915 -22.911 -23.189 5 HB2 MET 1 1HB MET 1 -11.333 -25.064 -21.832 6 HB3 MET 1 2HB MET 1 -9.698 -24.405 -21.778 7 HG2 MET 1 1HG MET 1 -12.180 -22.903 -20.877 8 HG3 MET 1 2HG MET 1 -11.092 -23.764 -19.791 9 HE1 MET 1 3HE MET 1 -7.787 -22.130 -20.023 10 HE2 MET 1 1HE MET 1 -8.752 -23.595 -19.808 11 HE3 MET 1 2HE MET 1 -8.883 -22.273 -18.653 12 H GLY 2 H GLY 2 -8.470 -23.909 -23.228 13 HA2 GLY 2 1HA GLY 2 -7.700 -21.441 -24.598 14 HA3 GLY 2 2HA GLY 2 -7.248 -21.475 -22.892 15 H HIS 3 H HIS 3 -5.511 -22.733 -22.259 16 HA HIS 3 HA HIS 3 -3.580 -23.484 -24.215 17 HB2 HIS 3 1HB HIS 3 -3.876 -24.287 -21.309 18 HB3 HIS 3 2HB HIS 3 -2.469 -24.685 -22.294 19 HD1 HIS 3 HD1 HIS 3 -4.130 -21.870 -20.515 20 HD2 HIS 3 HD2 HIS 3 -0.884 -22.404 -23.074 21 HE1 HIS 3 HE1 HIS 3 -2.776 -19.733 -20.409 22 H HIS 4 H HIS 4 -5.956 -25.429 -22.425 23 HA HIS 4 HA HIS 4 -6.715 -27.618 -22.781 24 HB2 HIS 4 1HB HIS 4 -7.135 -26.600 -25.081 25 HB3 HIS 4 2HB HIS 4 -5.604 -27.316 -25.581 26 HD1 HIS 4 HD1 HIS 4 -5.523 -29.851 -25.940 27 HD2 HIS 4 HD2 HIS 4 -9.181 -28.540 -24.430 28 HE1 HIS 4 HE1 HIS 4 -7.105 -31.824 -26.080 29 H HIS 5 H HIS 5 -3.548 -26.801 -22.672 30 HA HIS 5 HA HIS 5 -2.443 -29.446 -23.405 31 HB2 HIS 5 1HB HIS 5 -1.150 -26.934 -22.300 32 HB3 HIS 5 2HB HIS 5 -0.273 -28.409 -22.715 33 HD1 HIS 5 HD1 HIS 5 -0.730 -29.246 -25.309 34 HD2 HIS 5 HD2 HIS 5 -1.447 -25.229 -24.456 35 HE1 HIS 5 HE1 HIS 5 -0.779 -28.040 -27.535 36 H HIS 6 H HIS 6 -2.497 -31.062 -21.949 37 HA HIS 6 HA HIS 6 -2.978 -30.501 -19.106 38 HB2 HIS 6 1HB HIS 6 -3.121 -32.923 -18.873 39 HB3 HIS 6 2HB HIS 6 -4.037 -32.435 -20.300 40 HD1 HIS 6 HD1 HIS 6 -2.683 -32.658 -22.647 41 HD2 HIS 6 HD2 HIS 6 -1.107 -34.760 -19.410 42 HE1 HIS 6 HE1 HIS 6 -1.085 -34.367 -23.614 43 H HIS 7 H HIS 7 -0.286 -31.110 -21.180 44 HA HIS 7 HA HIS 7 1.573 -32.275 -19.392 45 HB2 HIS 7 1HB HIS 7 2.071 -30.231 -21.578 46 HB3 HIS 7 2HB HIS 7 3.307 -31.243 -20.829 47 HD1 HIS 7 HD1 HIS 7 2.754 -33.946 -21.020 48 HD2 HIS 7 HD2 HIS 7 0.884 -31.429 -23.767 49 HE1 HIS 7 HE1 HIS 7 1.988 -35.418 -22.934 50 H HIS 8 H HIS 8 1.887 -28.860 -20.326 51 HA HIS 8 HA HIS 8 1.631 -27.872 -17.618 52 HB2 HIS 8 1HB HIS 8 3.810 -28.987 -17.384 53 HB3 HIS 8 2HB HIS 8 4.420 -28.107 -18.785 54 HD1 HIS 8 HD1 HIS 8 3.046 -27.424 -15.302 55 HD2 HIS 8 HD2 HIS 8 5.420 -25.583 -18.192 56 HE1 HIS 8 HE1 HIS 8 3.944 -25.305 -14.246 57 H SER 9 H SER 9 0.862 -25.872 -17.939 58 HA SER 9 HA SER 9 2.196 -24.007 -19.755 59 HB2 SER 9 1HB SER 9 0.128 -23.534 -21.064 60 HB3 SER 9 2HB SER 9 0.737 -25.164 -21.346 61 HG SER 9 HG SER 9 -0.795 -25.903 -19.816 62 H HIS 10 H HIS 10 0.752 -24.681 -16.952 63 HA HIS 10 HA HIS 10 -0.886 -22.283 -16.602 64 HB2 HIS 10 1HB HIS 10 -1.486 -24.278 -15.359 65 HB3 HIS 10 2HB HIS 10 0.132 -24.386 -14.667 66 HD1 HIS 10 HD1 HIS 10 -2.847 -22.016 -14.689 67 HD2 HIS 10 HD2 HIS 10 0.422 -22.985 -12.293 68 HE1 HIS 10 HE1 HIS 10 -3.105 -20.679 -12.554 69 H GLY 11 H GLY 11 -0.100 -20.313 -16.011 70 HA2 GLY 11 1HA GLY 11 2.769 -20.017 -15.450 71 HA3 GLY 11 2HA GLY 11 1.610 -18.703 -15.652 72 H LYS 12 H LYS 12 3.646 -19.298 -13.483 73 HA LYS 12 HA LYS 12 2.194 -19.986 -11.089 74 HB2 LYS 12 1HB LYS 12 4.792 -18.490 -11.512 75 HB3 LYS 12 2HB LYS 12 4.187 -18.978 -9.927 76 HG2 LYS 12 1HG LYS 12 4.109 -21.343 -10.743 77 HG3 LYS 12 2HG LYS 12 4.857 -20.813 -12.247 78 HD2 LYS 12 1HD LYS 12 6.098 -20.371 -9.518 79 HD3 LYS 12 2HD LYS 12 6.471 -21.755 -10.542 80 HE2 LYS 12 1HE LYS 12 7.045 -20.029 -12.369 81 HE3 LYS 12 2HE LYS 12 7.036 -18.835 -11.070 82 HZ1 LYS 12 3HZ LYS 12 8.608 -21.333 -10.900 83 HZ2 LYS 12 1HZ LYS 12 8.761 -19.929 -9.961 84 HZ3 LYS 12 2HZ LYS 12 9.237 -19.915 -11.593 85 H SER 13 H SER 13 0.967 -18.707 -9.778 86 HA SER 13 HA SER 13 0.241 -16.041 -10.683 87 HB2 SER 13 1HB SER 13 -1.452 -17.446 -9.648 88 HB3 SER 13 2HB SER 13 -0.488 -17.594 -8.182 89 HG SER 13 HG SER 13 -2.047 -15.498 -9.110 90 H ASP 14 H ASP 14 0.738 -14.065 -9.699 91 HA ASP 14 HA ASP 14 2.673 -14.094 -7.413 92 HB2 ASP 14 1HB ASP 14 2.941 -12.599 -10.035 93 HB3 ASP 14 2HB ASP 14 3.846 -12.166 -8.584 94 H PHE 15 H PHE 15 -0.224 -13.555 -7.580 95 HA PHE 15 HA PHE 15 -0.298 -10.628 -6.930 96 HB2 PHE 15 1HB PHE 15 -2.526 -12.538 -7.708 97 HB3 PHE 15 2HB PHE 15 -2.744 -10.831 -7.317 98 HD1 PHE 15 HD1 PHE 15 -1.806 -9.071 -8.794 99 HD2 PHE 15 HD2 PHE 15 -1.567 -13.237 -9.809 100 HE1 PHE 15 HE1 PHE 15 -1.242 -8.468 -11.131 101 HE2 PHE 15 HE2 PHE 15 -1.002 -12.636 -12.147 102 HZ PHE 15 HZ PHE 15 -0.837 -10.251 -12.809 103 H ILE 16 H ILE 16 -1.172 -9.991 -4.948 104 HA ILE 16 HA ILE 16 -1.894 -12.163 -3.012 105 HB ILE 16 HB ILE 16 -0.679 -10.869 -1.269 106 HG12 ILE 16 1HG1 ILE 16 0.329 -9.224 -3.614 107 HG13 ILE 16 2HG1 ILE 16 -0.840 -8.652 -2.423 108 HG21 ILE 16 1HG2 ILE 16 0.384 -12.714 -2.692 109 HG22 ILE 16 2HG2 ILE 16 1.501 -11.615 -1.884 110 HG23 ILE 16 3HG2 ILE 16 1.163 -11.422 -3.605 111 HD11 ILE 16 3HD1 ILE 16 2.039 -9.444 -1.945 112 HD12 ILE 16 1HD1 ILE 16 0.880 -9.205 -0.637 113 HD13 ILE 16 2HD1 ILE 16 1.303 -7.861 -1.699 114 H LYS 17 H LYS 17 -3.582 -11.642 -1.600 115 HA LYS 17 HA LYS 17 -5.122 -9.206 -2.327 116 HB2 LYS 17 1HB LYS 17 -6.981 -10.289 -1.157 117 HB3 LYS 17 2HB LYS 17 -6.299 -11.367 -2.370 118 HG2 LYS 17 1HG LYS 17 -4.958 -12.468 -0.580 119 HG3 LYS 17 2HG LYS 17 -5.760 -11.448 0.613 120 HD2 LYS 17 1HD LYS 17 -7.949 -12.351 -0.070 121 HD3 LYS 17 2HD LYS 17 -7.153 -13.369 -1.268 122 HE2 LYS 17 1HE LYS 17 -7.449 -14.804 0.574 123 HE3 LYS 17 2HE LYS 17 -5.772 -14.284 0.721 124 HZ1 LYS 17 3HZ LYS 17 -7.275 -14.175 2.777 125 HZ2 LYS 17 1HZ LYS 17 -7.941 -12.794 2.055 126 HZ3 LYS 17 2HZ LYS 17 -6.286 -12.837 2.436 127 H VAL 18 H VAL 18 -5.301 -7.509 -0.976 128 HA VAL 18 HA VAL 18 -4.731 -7.834 1.914 129 HB VAL 18 HB VAL 18 -3.178 -5.865 1.853 130 HG11 VAL 18 1HG1 VAL 18 -1.255 -7.140 1.189 131 HG12 VAL 18 2HG1 VAL 18 -2.215 -8.128 0.086 132 HG13 VAL 18 3HG1 VAL 18 -2.428 -8.293 1.829 133 HG21 VAL 18 3HG2 VAL 18 -3.458 -6.310 -1.135 134 HG22 VAL 18 1HG2 VAL 18 -2.148 -5.378 -0.410 135 HG23 VAL 18 2HG2 VAL 18 -3.817 -4.837 -0.235 136 H ASN 19 H ASN 19 -5.267 -5.742 3.082 137 HA ASN 19 HA ASN 19 -7.699 -4.550 1.837 138 HB2 ASN 19 1HB ASN 19 -6.640 -4.591 4.680 139 HB3 ASN 19 2HB ASN 19 -8.081 -3.700 4.188 140 HD21 ASN 19 2HD2 ASN 19 -7.984 -6.025 6.038 141 HD22 ASN 19 1HD2 ASN 19 -8.948 -7.231 5.331 142 H VAL 20 H VAL 20 -7.878 -2.335 1.507 143 HA VAL 20 HA VAL 20 -5.433 -0.667 2.042 144 HB VAL 20 HB VAL 20 -7.213 -0.756 -0.411 145 HG11 VAL 20 1HG1 VAL 20 -5.233 1.332 0.513 146 HG12 VAL 20 2HG1 VAL 20 -6.895 1.572 -0.023 147 HG13 VAL 20 3HG1 VAL 20 -5.649 1.128 -1.190 148 HG21 VAL 20 3HG2 VAL 20 -5.276 -2.364 -0.202 149 HG22 VAL 20 1HG2 VAL 20 -4.203 -0.967 -0.117 150 HG23 VAL 20 2HG2 VAL 20 -5.151 -1.262 -1.574 151 H SER 21 H SER 21 -5.840 1.268 3.029 152 HA SER 21 HA SER 21 -8.680 2.206 3.223 153 HB2 SER 21 1HB SER 21 -8.327 2.724 5.586 154 HB3 SER 21 2HB SER 21 -8.003 1.015 5.310 155 HG SER 21 HG SER 21 -5.739 1.770 5.008 156 H ASN 22 H ASN 22 -8.862 4.516 3.614 157 HA ASN 22 HA ASN 22 -6.390 6.125 3.353 158 HB2 ASN 22 1HB ASN 22 -7.560 7.451 1.477 159 HB3 ASN 22 2HB ASN 22 -6.861 5.893 1.040 160 HD21 ASN 22 2HD2 ASN 22 -8.423 5.635 -0.732 161 HD22 ASN 22 1HD2 ASN 22 -10.047 5.255 -0.415 162 H SER 23 H SER 23 -6.584 8.057 4.413 163 HA SER 23 HA SER 23 -8.923 8.454 6.085 164 HB2 SER 23 1HB SER 23 -7.690 10.354 6.984 165 HB3 SER 23 2HB SER 23 -6.604 8.979 6.816 166 HG SER 23 HG SER 23 -5.453 10.223 5.590 167 H HIS 24 H HIS 24 -10.086 10.550 6.198 168 HA HIS 24 HA HIS 24 -11.662 11.927 5.104 169 HB2 HIS 24 1HB HIS 24 -9.066 12.843 3.830 170 HB3 HIS 24 2HB HIS 24 -10.559 13.781 3.920 171 HD1 HIS 24 HD1 HIS 24 -7.602 14.175 5.423 172 HD2 HIS 24 HD2 HIS 24 -11.279 13.170 7.110 173 HE1 HIS 24 HE1 HIS 24 -7.460 14.795 7.875 174 H ASN 25 H ASN 25 -11.803 9.512 3.879 175 HA ASN 25 HA ASN 25 -12.432 10.274 1.097 176 HB2 ASN 25 1HB ASN 25 -10.452 8.106 1.841 177 HB3 ASN 25 2HB ASN 25 -11.277 8.141 0.283 178 HD21 ASN 25 2HD2 ASN 25 -11.254 11.079 0.017 179 HD22 ASN 25 1HD2 ASN 25 -9.645 11.526 -0.273 180 H ASP 26 H ASP 26 -12.568 8.035 3.780 181 HA ASP 26 HA ASP 26 -14.172 6.453 4.402 182 HB2 ASP 26 1HB ASP 26 -15.679 8.463 3.892 183 HB3 ASP 26 2HB ASP 26 -15.977 7.712 2.325 184 H ALA 27 H ALA 27 -12.767 6.580 1.418 185 HA ALA 27 HA ALA 27 -14.225 4.314 0.217 186 HB1 ALA 27 3HB ALA 27 -13.442 5.922 -1.367 187 HB2 ALA 27 1HB ALA 27 -12.362 4.537 -1.525 188 HB3 ALA 27 2HB ALA 27 -11.837 5.966 -0.636 189 H VAL 28 H VAL 28 -13.800 2.347 1.105 190 HA VAL 28 HA VAL 28 -10.939 1.637 1.697 191 HB VAL 28 HB VAL 28 -13.462 0.901 3.217 192 HG11 VAL 28 1HG1 VAL 28 -11.779 -0.398 4.668 193 HG12 VAL 28 2HG1 VAL 28 -10.683 -0.292 3.289 194 HG13 VAL 28 3HG1 VAL 28 -12.224 -1.132 3.127 195 HG21 VAL 28 3HG2 VAL 28 -12.088 1.831 5.125 196 HG22 VAL 28 1HG2 VAL 28 -12.529 3.025 3.905 197 HG23 VAL 28 2HG2 VAL 28 -10.900 2.354 3.935 198 H ALA 29 H ALA 29 -10.244 -0.129 0.596 199 HA ALA 29 HA ALA 29 -12.258 -1.713 -0.949 200 HB1 ALA 29 3HB ALA 29 -10.325 -2.410 -2.315 201 HB2 ALA 29 1HB ALA 29 -9.251 -1.492 -1.259 202 HB3 ALA 29 2HB ALA 29 -10.444 -0.652 -2.247 203 H PHE 30 H PHE 30 -12.297 -3.978 -0.765 204 HA PHE 30 HA PHE 30 -10.846 -5.096 1.610 205 HB2 PHE 30 1HB PHE 30 -13.465 -5.831 0.281 206 HB3 PHE 30 2HB PHE 30 -12.679 -6.862 1.477 207 HD1 PHE 30 HD1 PHE 30 -12.324 -6.048 3.800 208 HD2 PHE 30 HD2 PHE 30 -14.555 -3.779 0.914 209 HE1 PHE 30 HE1 PHE 30 -13.267 -4.656 5.623 210 HE2 PHE 30 HE2 PHE 30 -15.499 -2.387 2.738 211 HZ PHE 30 HZ PHE 30 -14.854 -2.825 5.092 212 H GLU 31 H GLU 31 -9.577 -6.870 1.362 213 HA GLU 31 HA GLU 31 -8.066 -8.226 0.150 214 HB2 GLU 31 1HB GLU 31 -10.766 -9.183 -0.841 215 HB3 GLU 31 2HB GLU 31 -9.273 -10.114 -0.907 216 HG2 GLU 31 1HG GLU 31 -10.590 -9.093 1.629 217 HG3 GLU 31 2HG GLU 31 -10.649 -10.753 1.042 218 H VAL 32 H VAL 32 -7.268 -6.397 -1.237 219 HA VAL 32 HA VAL 32 -8.309 -6.409 -4.014 220 HB VAL 32 HB VAL 32 -7.139 -4.365 -4.263 221 HG11 VAL 32 1HG1 VAL 32 -8.068 -3.016 -2.539 222 HG12 VAL 32 2HG1 VAL 32 -7.989 -4.340 -1.377 223 HG13 VAL 32 3HG1 VAL 32 -9.146 -4.401 -2.707 224 HG21 VAL 32 3HG2 VAL 32 -4.968 -4.780 -3.409 225 HG22 VAL 32 1HG2 VAL 32 -5.597 -5.253 -1.832 226 HG23 VAL 32 2HG2 VAL 32 -5.624 -3.559 -2.322 227 H LYS 33 H LYS 33 -7.281 -7.685 -5.487 228 HA LYS 33 HA LYS 33 -4.765 -9.002 -4.775 229 HB2 LYS 33 1HB LYS 33 -5.095 -10.294 -6.771 230 HB3 LYS 33 2HB LYS 33 -6.680 -10.100 -6.024 231 HG2 LYS 33 1HG LYS 33 -6.902 -8.005 -7.552 232 HG3 LYS 33 2HG LYS 33 -5.565 -8.710 -8.458 233 HD2 LYS 33 1HD LYS 33 -8.151 -10.161 -7.834 234 HD3 LYS 33 2HD LYS 33 -7.805 -9.352 -9.361 235 HE2 LYS 33 1HE LYS 33 -5.739 -10.799 -9.551 236 HE3 LYS 33 2HE LYS 33 -6.336 -11.711 -8.164 237 HZ1 LYS 33 3HZ LYS 33 -6.944 -12.327 -10.662 238 HZ2 LYS 33 1HZ LYS 33 -8.220 -11.259 -10.333 239 HZ3 LYS 33 2HZ LYS 33 -7.991 -12.632 -9.359 240 H LEU 34 H LEU 34 -2.787 -8.173 -5.234 241 HA LEU 34 HA LEU 34 -2.444 -6.477 -7.659 242 HB2 LEU 34 1HB LEU 34 -1.600 -5.708 -4.850 243 HB3 LEU 34 2HB LEU 34 -1.008 -4.907 -6.305 244 HG LEU 34 HG LEU 34 -3.944 -5.150 -5.575 245 HD11 LEU 34 1HD1 LEU 34 -2.102 -2.762 -5.295 246 HD12 LEU 34 2HD1 LEU 34 -2.647 -3.769 -3.955 247 HD13 LEU 34 3HD1 LEU 34 -3.814 -2.820 -4.876 248 HD21 LEU 34 3HD2 LEU 34 -3.940 -4.748 -7.878 249 HD22 LEU 34 1HD2 LEU 34 -2.409 -3.872 -7.833 250 HD23 LEU 34 2HD2 LEU 34 -3.889 -3.096 -7.274 251 H ALA 35 H ALA 35 -0.410 -6.667 -8.601 252 HA ALA 35 HA ALA 35 1.056 -9.067 -7.969 253 HB1 ALA 35 3HB ALA 35 1.231 -8.588 -10.226 254 HB2 ALA 35 1HB ALA 35 2.729 -7.842 -9.672 255 HB3 ALA 35 2HB ALA 35 1.299 -6.849 -9.959 256 H LYS 36 H LYS 36 2.772 -9.337 -6.677 257 HA LYS 36 HA LYS 36 3.648 -7.160 -4.967 258 HB2 LYS 36 1HB LYS 36 5.266 -8.905 -4.087 259 HB3 LYS 36 2HB LYS 36 3.562 -9.333 -3.965 260 HG2 LYS 36 1HG LYS 36 3.768 -10.644 -6.072 261 HG3 LYS 36 2HG LYS 36 5.488 -10.257 -6.117 262 HD2 LYS 36 1HD LYS 36 5.812 -11.373 -3.955 263 HD3 LYS 36 2HD LYS 36 4.084 -11.727 -3.868 264 HE2 LYS 36 1HE LYS 36 4.242 -13.067 -5.921 265 HE3 LYS 36 2HE LYS 36 5.966 -12.708 -6.032 266 HZ1 LYS 36 3HZ LYS 36 5.475 -13.649 -3.463 267 HZ2 LYS 36 1HZ LYS 36 6.346 -14.414 -4.700 268 HZ3 LYS 36 2HZ LYS 36 4.681 -14.707 -4.530 269 H ASP 37 H ASP 37 4.578 -8.240 -8.049 270 HA ASP 37 HA ASP 37 7.399 -7.467 -7.815 271 HB2 ASP 37 1HB ASP 37 7.432 -7.841 -10.274 272 HB3 ASP 37 2HB ASP 37 6.769 -9.223 -9.402 273 H LEU 38 H LEU 38 4.603 -5.715 -7.876 274 HA LEU 38 HA LEU 38 5.345 -3.658 -9.803 275 HB2 LEU 38 1HB LEU 38 3.324 -3.588 -7.544 276 HB3 LEU 38 2HB LEU 38 3.443 -2.412 -8.851 277 HG LEU 38 HG LEU 38 2.916 -5.370 -9.222 278 HD11 LEU 38 1HD1 LEU 38 0.969 -4.410 -8.224 279 HD12 LEU 38 2HD1 LEU 38 0.634 -4.470 -9.955 280 HD13 LEU 38 3HD1 LEU 38 1.104 -2.947 -9.199 281 HD21 LEU 38 3HD2 LEU 38 2.179 -4.343 -11.557 282 HD22 LEU 38 1HD2 LEU 38 3.876 -4.698 -11.249 283 HD23 LEU 38 2HD2 LEU 38 3.283 -3.043 -11.104 284 H THR 39 H THR 39 6.059 -1.529 -9.311 285 HA THR 39 HA THR 39 7.838 -1.406 -6.973 286 HB THR 39 HB THR 39 8.413 0.866 -7.992 287 HG1 THR 39 HG1 THR 39 7.507 1.382 -9.869 288 HG21 THR 39 3HG2 THR 39 9.646 -0.182 -9.890 289 HG22 THR 39 1HG2 THR 39 8.700 -1.652 -9.651 290 HG23 THR 39 2HG2 THR 39 9.801 -1.098 -8.389 291 H VAL 40 H VAL 40 7.836 0.567 -5.606 292 HA VAL 40 HA VAL 40 5.270 1.011 -4.411 293 HB VAL 40 HB VAL 40 7.915 2.468 -4.150 294 HG11 VAL 40 1HG1 VAL 40 5.299 2.832 -2.670 295 HG12 VAL 40 2HG1 VAL 40 6.268 4.065 -3.476 296 HG13 VAL 40 3HG1 VAL 40 6.849 3.323 -1.985 297 HG21 VAL 40 3HG2 VAL 40 6.519 0.652 -2.172 298 HG22 VAL 40 1HG2 VAL 40 8.208 1.161 -2.177 299 HG23 VAL 40 2HG2 VAL 40 7.626 0.028 -3.397 300 H ALA 41 H ALA 41 7.280 2.997 -6.580 301 HA ALA 41 HA ALA 41 5.646 5.311 -6.627 302 HB1 ALA 41 3HB ALA 41 7.838 5.359 -7.651 303 HB2 ALA 41 1HB ALA 41 6.652 5.680 -8.916 304 HB3 ALA 41 2HB ALA 41 7.390 4.083 -8.783 305 H GLN 42 H GLN 42 5.501 2.378 -8.658 306 HA GLN 42 HA GLN 42 3.303 3.263 -10.272 307 HB2 GLN 42 1HB GLN 42 4.273 0.493 -9.518 308 HB3 GLN 42 2HB GLN 42 2.986 0.783 -10.687 309 HG2 GLN 42 1HG GLN 42 4.496 2.093 -12.086 310 HG3 GLN 42 2HG GLN 42 5.784 1.926 -10.892 311 HE21 GLN 42 2HE2 GLN 42 6.700 0.936 -13.137 312 HE22 GLN 42 1HE2 GLN 42 6.539 -0.748 -13.270 313 H LEU 43 H LEU 43 3.451 1.379 -7.259 314 HA LEU 43 HA LEU 43 0.645 0.891 -7.045 315 HB2 LEU 43 1HB LEU 43 2.284 -0.338 -5.700 316 HB3 LEU 43 2HB LEU 43 2.760 1.147 -4.882 317 HG LEU 43 HG LEU 43 0.534 1.363 -3.894 318 HD11 LEU 43 1HD1 LEU 43 -1.001 0.502 -5.450 319 HD12 LEU 43 2HD1 LEU 43 -0.989 -0.755 -4.216 320 HD13 LEU 43 3HD1 LEU 43 -0.068 -0.974 -5.705 321 HD21 LEU 43 3HD2 LEU 43 2.340 -0.159 -2.897 322 HD22 LEU 43 1HD2 LEU 43 1.416 -1.510 -3.554 323 HD23 LEU 43 2HD2 LEU 43 0.689 -0.451 -2.347 324 H LYS 44 H LYS 44 2.684 3.546 -5.854 325 HA LYS 44 HA LYS 44 0.702 4.906 -4.337 326 HB2 LYS 44 1HB LYS 44 3.225 5.381 -4.508 327 HB3 LYS 44 2HB LYS 44 2.838 6.313 -5.954 328 HG2 LYS 44 1HG LYS 44 1.225 7.661 -4.617 329 HG3 LYS 44 2HG LYS 44 1.711 6.772 -3.174 330 HD2 LYS 44 1HD LYS 44 3.658 8.315 -4.908 331 HD3 LYS 44 2HD LYS 44 2.867 9.009 -3.496 332 HE2 LYS 44 1HE LYS 44 3.811 7.008 -2.183 333 HE3 LYS 44 2HE LYS 44 4.836 6.719 -3.588 334 HZ1 LYS 44 3HZ LYS 44 5.932 8.114 -1.946 335 HZ2 LYS 44 1HZ LYS 44 4.691 9.263 -2.073 336 HZ3 LYS 44 2HZ LYS 44 5.695 8.949 -3.408 337 H THR 45 H THR 45 1.535 5.120 -7.787 338 HA THR 45 HA THR 45 -0.213 7.258 -8.463 339 HB THR 45 HB THR 45 0.436 4.887 -10.234 340 HG1 THR 45 HG1 THR 45 2.006 7.153 -10.313 341 HG21 THR 45 3HG2 THR 45 0.157 6.435 -12.035 342 HG22 THR 45 1HG2 THR 45 0.109 7.810 -10.931 343 HG23 THR 45 2HG2 THR 45 -1.231 6.664 -10.971 344 H LYS 46 H LYS 46 -0.771 3.730 -8.439 345 HA LYS 46 HA LYS 46 -3.477 3.847 -9.359 346 HB2 LYS 46 1HB LYS 46 -2.069 1.833 -7.579 347 HB3 LYS 46 2HB LYS 46 -3.672 1.590 -8.275 348 HG2 LYS 46 1HG LYS 46 -2.747 1.811 -10.538 349 HG3 LYS 46 2HG LYS 46 -1.144 2.107 -9.866 350 HD2 LYS 46 1HD LYS 46 -1.217 -0.127 -8.773 351 HD3 LYS 46 2HD LYS 46 -2.776 -0.426 -9.541 352 HE2 LYS 46 1HE LYS 46 -0.190 0.155 -11.014 353 HE3 LYS 46 2HE LYS 46 -0.922 -1.440 -10.833 354 HZ1 LYS 46 3HZ LYS 46 -2.952 -0.456 -11.894 355 HZ2 LYS 46 1HZ LYS 46 -1.608 -0.619 -12.914 356 HZ3 LYS 46 2HZ LYS 46 -2.011 0.905 -12.280 357 H LEU 47 H LEU 47 -2.080 3.879 -6.084 358 HA LEU 47 HA LEU 47 -4.579 3.955 -4.682 359 HB2 LEU 47 1HB LEU 47 -1.833 4.996 -3.918 360 HB3 LEU 47 2HB LEU 47 -3.199 4.921 -2.807 361 HG LEU 47 HG LEU 47 -2.108 2.517 -4.300 362 HD11 LEU 47 1HD1 LEU 47 -1.520 3.578 -1.527 363 HD12 LEU 47 2HD1 LEU 47 -0.369 3.257 -2.823 364 HD13 LEU 47 3HD1 LEU 47 -1.179 1.917 -2.011 365 HD21 LEU 47 3HD2 LEU 47 -4.246 2.947 -2.214 366 HD22 LEU 47 1HD2 LEU 47 -3.357 1.424 -2.234 367 HD23 LEU 47 2HD2 LEU 47 -4.278 1.922 -3.648 368 H GLU 48 H GLU 48 -2.484 6.493 -5.992 369 HA GLU 48 HA GLU 48 -3.771 8.760 -4.908 370 HB2 GLU 48 1HB GLU 48 -1.668 8.760 -6.301 371 HB3 GLU 48 2HB GLU 48 -2.675 8.512 -7.727 372 HG2 GLU 48 1HG GLU 48 -3.900 10.605 -7.205 373 HG3 GLU 48 2HG GLU 48 -2.839 10.856 -5.818 374 H ILE 49 H ILE 49 -4.568 6.843 -7.784 375 HA ILE 49 HA ILE 49 -6.753 8.465 -8.674 376 HB ILE 49 HB ILE 49 -6.177 5.506 -9.011 377 HG12 ILE 49 1HG1 ILE 49 -5.910 7.783 -10.992 378 HG13 ILE 49 2HG1 ILE 49 -4.578 7.244 -9.969 379 HG21 ILE 49 1HG2 ILE 49 -7.776 5.814 -11.006 380 HG22 ILE 49 2HG2 ILE 49 -8.315 7.285 -10.197 381 HG23 ILE 49 3HG2 ILE 49 -8.513 5.722 -9.406 382 HD11 ILE 49 3HD1 ILE 49 -6.080 5.596 -12.022 383 HD12 ILE 49 1HD1 ILE 49 -4.905 4.924 -10.891 384 HD13 ILE 49 2HD1 ILE 49 -4.393 6.104 -12.096 385 H LEU 50 H LEU 50 -6.596 5.653 -6.496 386 HA LEU 50 HA LEU 50 -9.394 5.378 -6.064 387 HB2 LEU 50 1HB LEU 50 -7.751 3.670 -5.379 388 HB3 LEU 50 2HB LEU 50 -7.095 4.775 -4.174 389 HG LEU 50 HG LEU 50 -9.256 4.797 -2.994 390 HD11 LEU 50 1HD1 LEU 50 -10.945 4.480 -4.582 391 HD12 LEU 50 2HD1 LEU 50 -10.890 2.894 -3.819 392 HD13 LEU 50 3HD1 LEU 50 -10.097 3.150 -5.373 393 HD21 LEU 50 3HD2 LEU 50 -9.260 2.359 -2.324 394 HD22 LEU 50 1HD2 LEU 50 -7.666 3.114 -2.302 395 HD23 LEU 50 2HD2 LEU 50 -8.125 2.060 -3.641 396 H THR 51 H THR 51 -6.961 7.338 -4.342 397 HA THR 51 HA THR 51 -9.072 8.449 -2.582 398 HB THR 51 HB THR 51 -7.251 9.561 -1.431 399 HG1 THR 51 HG1 THR 51 -5.662 8.620 -3.582 400 HG21 THR 51 3HG2 THR 51 -7.504 7.226 -0.853 401 HG22 THR 51 1HG2 THR 51 -5.779 7.584 -0.933 402 HG23 THR 51 2HG2 THR 51 -6.564 6.730 -2.260 403 H GLY 52 H GLY 52 -7.541 9.194 -5.567 404 HA2 GLY 52 1HA GLY 52 -7.837 11.036 -6.999 405 HA3 GLY 52 2HA GLY 52 -9.159 11.541 -5.940 406 H GLY 53 H GLY 53 -6.543 11.124 -3.982 407 HA2 GLY 53 1HA GLY 53 -6.142 14.009 -3.718 408 HA3 GLY 53 2HA GLY 53 -5.407 12.767 -2.710 409 H CYS 54 H CYS 54 -3.457 14.200 -3.041 410 HA CYS 54 HA CYS 54 -2.171 13.890 -5.711 411 HB2 CYS 54 1HB CYS 54 -1.801 15.721 -3.367 412 HB3 CYS 54 2HB CYS 54 -0.414 15.421 -4.415 413 HG CYS 54 HG CYS 54 -2.423 16.076 -6.351 414 H ALA 55 H ALA 55 -0.500 12.515 -6.017 415 HA ALA 55 HA ALA 55 0.178 10.522 -4.082 416 HB1 ALA 55 3HB ALA 55 0.407 10.360 -6.612 417 HB2 ALA 55 1HB ALA 55 1.769 9.735 -5.682 418 HB3 ALA 55 2HB ALA 55 1.879 11.319 -6.451 419 H GLY 56 H GLY 56 1.753 13.569 -4.983 420 HA2 GLY 56 1HA GLY 56 4.104 13.035 -3.349 421 HA3 GLY 56 2HA GLY 56 3.708 14.571 -4.118 422 H THR 57 H THR 57 0.942 13.903 -2.554 423 HA THR 57 HA THR 57 1.800 15.401 -0.106 424 HB THR 57 HB THR 57 -1.011 15.084 -1.174 425 HG1 THR 57 HG1 THR 57 0.763 17.245 -1.617 426 HG21 THR 57 3HG2 THR 57 -0.506 15.838 1.220 427 HG22 THR 57 1HG2 THR 57 -1.518 16.909 0.254 428 HG23 THR 57 2HG2 THR 57 0.185 17.289 0.498 429 H MET 58 H MET 58 0.106 12.529 -1.247 430 HA MET 58 HA MET 58 -0.722 11.782 1.481 431 HB2 MET 58 1HB MET 58 -1.651 9.772 0.376 432 HB3 MET 58 2HB MET 58 -2.218 11.256 -0.379 433 HG2 MET 58 1HG MET 58 -1.403 10.558 -2.378 434 HG3 MET 58 2HG MET 58 0.223 10.484 -1.708 435 HE1 MET 58 3HE MET 58 -2.942 8.806 -2.727 436 HE2 MET 58 1HE MET 58 -2.412 7.146 -3.044 437 HE3 MET 58 2HE MET 58 -1.678 8.491 -3.914 438 H LYS 59 H LYS 59 0.164 10.091 2.669 439 HA LYS 59 HA LYS 59 2.823 9.068 1.730 440 HB2 LYS 59 1HB LYS 59 1.718 9.479 4.522 441 HB3 LYS 59 2HB LYS 59 3.268 8.712 4.169 442 HG2 LYS 59 1HG LYS 59 3.936 10.794 2.924 443 HG3 LYS 59 2HG LYS 59 2.450 11.552 3.492 444 HD2 LYS 59 1HD LYS 59 4.503 10.340 5.358 445 HD3 LYS 59 2HD LYS 59 4.516 12.038 4.890 446 HE2 LYS 59 1HE LYS 59 2.094 12.136 5.718 447 HE3 LYS 59 2HE LYS 59 2.388 10.557 6.449 448 HZ1 LYS 59 3HZ LYS 59 4.431 11.661 7.456 449 HZ2 LYS 59 1HZ LYS 59 2.919 12.060 8.114 450 HZ3 LYS 59 2HZ LYS 59 3.690 13.135 7.048 451 H VAL 60 H VAL 60 3.287 6.833 2.137 452 HA VAL 60 HA VAL 60 0.842 5.114 2.449 453 HB VAL 60 HB VAL 60 3.405 4.701 0.877 454 HG11 VAL 60 1HG1 VAL 60 2.941 2.556 1.791 455 HG12 VAL 60 2HG1 VAL 60 2.198 2.528 0.192 456 HG13 VAL 60 3HG1 VAL 60 1.199 2.772 1.625 457 HG21 VAL 60 3HG2 VAL 60 1.989 4.739 -1.044 458 HG22 VAL 60 1HG2 VAL 60 1.469 6.101 -0.053 459 HG23 VAL 60 2HG2 VAL 60 0.529 4.609 -0.063 460 H GLN 61 H GLN 61 0.854 3.681 4.111 461 HA GLN 61 HA GLN 61 3.449 3.000 5.425 462 HB2 GLN 61 1HB GLN 61 0.916 3.959 6.780 463 HB3 GLN 61 2HB GLN 61 2.256 3.196 7.638 464 HG2 GLN 61 1HG GLN 61 3.780 4.960 6.866 465 HG3 GLN 61 2HG GLN 61 2.471 5.709 5.952 466 HE21 GLN 61 2HE2 GLN 61 3.331 7.521 7.613 467 HE22 GLN 61 1HE2 GLN 61 2.455 7.618 9.064 468 H VAL 62 H VAL 62 3.462 0.931 6.404 469 HA VAL 62 HA VAL 62 1.243 -0.866 5.498 470 HB VAL 62 HB VAL 62 4.081 -1.548 6.327 471 HG11 VAL 62 1HG1 VAL 62 3.528 -3.747 5.299 472 HG12 VAL 62 2HG1 VAL 62 1.872 -3.194 5.050 473 HG13 VAL 62 3HG1 VAL 62 2.498 -3.392 6.685 474 HG21 VAL 62 3HG2 VAL 62 4.198 -0.332 4.267 475 HG22 VAL 62 1HG2 VAL 62 2.773 -1.152 3.626 476 HG23 VAL 62 2HG2 VAL 62 4.285 -2.038 3.829 477 H PHE 63 H PHE 63 -0.005 -1.813 7.028 478 HA PHE 63 HA PHE 63 0.969 -1.864 9.865 479 HB2 PHE 63 1HB PHE 63 -1.694 -0.950 8.769 480 HB3 PHE 63 2HB PHE 63 -1.545 -1.533 10.425 481 HD1 PHE 63 HD2 PHE 63 0.029 -0.412 12.008 482 HD2 PHE 63 HD1 PHE 63 -0.885 1.218 8.137 483 HE1 PHE 63 HE2 PHE 63 0.913 1.793 12.724 484 HE2 PHE 63 HE1 PHE 63 -0.002 3.421 8.857 485 HZ PHE 63 HZ PHE 63 0.898 3.708 11.150 486 H LYS 64 H LYS 64 0.260 -3.619 11.094 487 HA LYS 64 HA LYS 64 -1.289 -5.750 9.705 488 HB2 LYS 64 1HB LYS 64 1.283 -6.056 9.519 489 HB3 LYS 64 2HB LYS 64 1.229 -6.398 11.248 490 HG2 LYS 64 1HG LYS 64 -0.289 -8.255 10.894 491 HG3 LYS 64 2HG LYS 64 -0.460 -7.849 9.188 492 HD2 LYS 64 1HD LYS 64 1.102 -9.676 9.329 493 HD3 LYS 64 2HD LYS 64 2.023 -8.227 8.932 494 HE2 LYS 64 1HE LYS 64 2.879 -8.031 11.134 495 HE3 LYS 64 2HE LYS 64 1.671 -9.135 11.792 496 HZ1 LYS 64 3HZ LYS 64 4.086 -9.941 11.284 497 HZ2 LYS 64 1HZ LYS 64 3.488 -10.108 9.706 498 HZ3 LYS 64 2HZ LYS 64 2.756 -10.955 10.984 499 H GLY 65 H GLY 65 -3.010 -5.287 11.139 500 HA2 GLY 65 1HA GLY 65 -4.242 -5.737 13.093 501 HA3 GLY 65 2HA GLY 65 -2.828 -6.580 13.728 502 H ASP 66 H ASP 66 -2.345 -5.658 15.652 503 HA ASP 66 HA ASP 66 -2.654 -2.724 16.021 504 HB2 ASP 66 1HB ASP 66 -2.077 -4.985 17.956 505 HB3 ASP 66 2HB ASP 66 -2.177 -3.286 18.424 506 H THR 67 H THR 67 -0.323 -4.433 14.666 507 HA THR 67 HA THR 67 1.920 -3.033 16.097 508 HB THR 67 HB THR 67 1.954 -5.621 14.521 509 HG1 THR 67 HG1 THR 67 2.865 -5.842 16.985 510 HG21 THR 67 3HG2 THR 67 4.124 -3.922 15.748 511 HG22 THR 67 1HG2 THR 67 4.062 -4.642 14.138 512 HG23 THR 67 2HG2 THR 67 4.334 -5.662 15.550 513 H CYS 68 H CYS 68 3.120 -1.641 14.906 514 HA CYS 68 HA CYS 68 2.323 -1.099 12.139 515 HB2 CYS 68 1HB CYS 68 4.672 0.193 13.520 516 HB3 CYS 68 2HB CYS 68 3.542 0.893 12.360 517 HG CYS 68 HG CYS 68 2.698 0.208 15.296 518 H VAL 69 H VAL 69 3.230 -2.162 10.446 519 HA VAL 69 HA VAL 69 5.564 -3.843 10.751 520 HB VAL 69 HB VAL 69 4.150 -2.881 8.251 521 HG11 VAL 69 1HG1 VAL 69 6.249 -4.996 8.755 522 HG12 VAL 69 2HG1 VAL 69 6.295 -3.678 7.585 523 HG13 VAL 69 3HG1 VAL 69 5.202 -5.041 7.337 524 HG21 VAL 69 3HG2 VAL 69 3.831 -5.302 10.039 525 HG22 VAL 69 1HG2 VAL 69 3.190 -5.246 8.398 526 HG23 VAL 69 2HG2 VAL 69 2.606 -4.107 9.611 527 H SER 70 H SER 70 5.012 -0.795 8.954 528 HA SER 70 HA SER 70 7.340 0.549 9.612 529 HB2 SER 70 1HB SER 70 7.847 -1.656 7.670 530 HB3 SER 70 2HB SER 70 8.620 -0.116 7.307 531 HG SER 70 HG SER 70 8.742 -0.913 9.948 532 H THR 71 H THR 71 8.121 1.966 7.565 533 HA THR 71 HA THR 71 5.665 2.762 6.035 534 HB THR 71 HB THR 71 7.871 4.518 7.153 535 HG1 THR 71 HG1 THR 71 6.088 5.359 8.350 536 HG21 THR 71 3HG2 THR 71 5.540 5.069 5.316 537 HG22 THR 71 1HG2 THR 71 7.230 5.537 5.120 538 HG23 THR 71 2HG2 THR 71 6.228 6.336 6.332 539 H MET 72 H MET 72 5.928 2.765 3.849 540 HA MET 72 HA MET 72 8.355 1.792 2.675 541 HB2 MET 72 1HB MET 72 5.917 3.117 1.465 542 HB3 MET 72 2HB MET 72 7.233 2.438 0.504 543 HG2 MET 72 1HG MET 72 6.891 0.245 1.593 544 HG3 MET 72 2HG MET 72 5.562 0.925 2.530 545 HE1 MET 72 3HE MET 72 4.982 -1.357 1.547 546 HE2 MET 72 1HE MET 72 4.061 -1.563 0.051 547 HE3 MET 72 2HE MET 72 3.359 -0.683 1.405 548 H ASP 73 H ASP 73 10.087 3.147 3.217 549 HA ASP 73 HA ASP 73 9.947 6.022 2.516 550 HB2 ASP 73 1HB ASP 73 12.090 4.305 3.801 551 HB3 ASP 73 2HB ASP 73 12.309 6.014 3.426 552 H ASN 74 H ASN 74 11.176 3.025 1.239 553 HA ASN 74 HA ASN 74 12.920 4.416 -0.716 554 HB2 ASN 74 1HB ASN 74 12.411 1.504 -0.068 555 HB3 ASN 74 2HB ASN 74 13.403 2.018 -1.434 556 HD21 ASN 74 2HD2 ASN 74 14.535 0.562 0.780 557 HD22 ASN 74 1HD2 ASN 74 15.602 1.595 1.601 558 H ASN 75 H ASN 75 11.731 5.321 -2.348 559 HA ASN 75 HA ASN 75 9.257 4.170 -3.312 560 HB2 ASN 75 1HB ASN 75 9.301 5.939 -4.967 561 HB3 ASN 75 2HB ASN 75 9.836 6.615 -3.429 562 HD21 ASN 75 2HD2 ASN 75 10.665 8.034 -5.620 563 HD22 ASN 75 1HD2 ASN 75 12.307 7.754 -5.949 564 H ASP 76 H ASP 76 12.563 3.546 -3.909 565 HA ASP 76 HA ASP 76 12.110 2.408 -6.606 566 HB2 ASP 76 1HB ASP 76 14.567 2.583 -4.833 567 HB3 ASP 76 2HB ASP 76 14.557 1.840 -6.433 568 H ALA 77 H ALA 77 11.632 1.430 -3.465 569 HA ALA 77 HA ALA 77 12.607 -1.306 -3.662 570 HB1 ALA 77 3HB ALA 77 10.765 0.110 -1.724 571 HB2 ALA 77 1HB ALA 77 12.438 -0.383 -1.460 572 HB3 ALA 77 2HB ALA 77 11.168 -1.602 -1.579 573 H GLN 78 H GLN 78 11.237 -3.203 -3.758 574 HA GLN 78 HA GLN 78 8.995 -2.871 -5.616 575 HB2 GLN 78 1HB GLN 78 10.327 -5.291 -4.397 576 HB3 GLN 78 2HB GLN 78 8.905 -5.409 -5.433 577 HG2 GLN 78 1HG GLN 78 10.128 -4.210 -7.224 578 HG3 GLN 78 2HG GLN 78 11.557 -4.155 -6.191 579 HE21 GLN 78 2HE2 GLN 78 12.112 -5.472 -8.441 580 HE22 GLN 78 1HE2 GLN 78 12.054 -7.157 -8.255 581 H LEU 79 H LEU 79 6.887 -3.891 -5.199 582 HA LEU 79 HA LEU 79 5.740 -3.052 -2.720 583 HB2 LEU 79 1HB LEU 79 4.387 -3.278 -4.752 584 HB3 LEU 79 2HB LEU 79 4.701 -5.011 -4.797 585 HG LEU 79 HG LEU 79 3.494 -5.323 -2.692 586 HD11 LEU 79 1HD1 LEU 79 2.171 -3.196 -1.893 587 HD12 LEU 79 2HD1 LEU 79 3.451 -2.308 -2.720 588 HD13 LEU 79 3HD1 LEU 79 3.849 -3.401 -1.395 589 HD21 LEU 79 3HD2 LEU 79 1.940 -3.577 -4.631 590 HD22 LEU 79 1HD2 LEU 79 1.242 -4.718 -3.481 591 HD23 LEU 79 2HD2 LEU 79 2.222 -5.306 -4.824 592 H GLY 80 H GLY 80 6.806 -6.242 -3.884 593 HA2 GLY 80 1HA GLY 80 5.937 -7.641 -1.504 594 HA3 GLY 80 2HA GLY 80 7.053 -8.271 -2.716 595 H TYR 81 H TYR 81 8.336 -5.374 -1.928 596 HA TYR 81 HA TYR 81 10.536 -6.485 -0.483 597 HB2 TYR 81 1HB TYR 81 10.553 -4.318 -1.788 598 HB3 TYR 81 2HB TYR 81 9.654 -3.582 -0.462 599 HD1 TYR 81 HD1 TYR 81 10.674 -3.515 1.842 600 HD2 TYR 81 HD2 TYR 81 12.900 -4.721 -1.624 601 HE1 TYR 81 HE1 TYR 81 12.791 -3.152 3.079 602 HE2 TYR 81 HE2 TYR 81 15.019 -4.362 -0.388 603 HH TYR 81 HH TYR 81 15.009 -3.446 3.045 604 H TYR 82 H TYR 82 7.699 -4.617 0.607 605 HA TYR 82 HA TYR 82 8.375 -5.308 3.446 606 HB2 TYR 82 1HB TYR 82 6.464 -3.222 2.345 607 HB3 TYR 82 2HB TYR 82 6.870 -3.464 4.044 608 HD1 TYR 82 HD1 TYR 82 9.247 -3.109 4.816 609 HD2 TYR 82 HD2 TYR 82 7.898 -1.982 0.895 610 HE1 TYR 82 HE1 TYR 82 11.233 -1.649 4.552 611 HE2 TYR 82 HE2 TYR 82 9.884 -0.522 0.632 612 HH TYR 82 HH TYR 82 11.503 0.646 2.030 613 H ALA 83 H ALA 83 5.937 -5.609 0.934 614 HA ALA 83 HA ALA 83 3.975 -6.794 2.787 615 HB1 ALA 83 3HB ALA 83 3.126 -5.365 1.014 616 HB2 ALA 83 1HB ALA 83 2.585 -7.017 0.720 617 HB3 ALA 83 2HB ALA 83 3.927 -6.350 -0.210 618 H ASN 84 H ASN 84 3.975 -8.244 -0.270 619 HA ASN 84 HA ASN 84 4.365 -10.434 -0.987 620 HB2 ASN 84 1HB ASN 84 6.752 -9.733 -0.431 621 HB3 ASN 84 2HB ASN 84 6.537 -10.541 1.121 622 HD21 ASN 84 2HD2 ASN 84 8.478 -11.508 -0.711 623 HD22 ASN 84 1HD2 ASN 84 7.970 -13.016 -1.304 624 H SER 85 H SER 85 2.470 -9.903 1.200 625 HA SER 85 HA SER 85 2.128 -12.673 2.080 626 HB2 SER 85 1HB SER 85 3.678 -11.529 3.789 627 HB3 SER 85 2HB SER 85 2.279 -10.561 4.236 628 HG SER 85 HG SER 85 1.184 -12.462 4.743 629 H ASP 86 H ASP 86 -0.038 -13.089 2.112 630 HA ASP 86 HA ASP 86 -1.918 -10.935 1.553 631 HB2 ASP 86 1HB ASP 86 -2.526 -13.829 2.221 632 HB3 ASP 86 2HB ASP 86 -3.571 -12.690 1.370 633 H GLY 87 H GLY 87 -3.617 -10.204 2.903 634 HA2 GLY 87 1HA GLY 87 -4.930 -10.270 4.954 635 HA3 GLY 87 2HA GLY 87 -3.613 -11.135 5.744 636 H LEU 88 H LEU 88 -2.048 -8.858 4.040 637 HA LEU 88 HA LEU 88 -1.604 -7.194 6.386 638 HB2 LEU 88 1HB LEU 88 -0.651 -6.887 3.523 639 HB3 LEU 88 2HB LEU 88 -0.076 -5.933 4.889 640 HG LEU 88 HG LEU 88 0.142 -8.952 4.662 641 HD11 LEU 88 1HD1 LEU 88 2.058 -6.686 4.099 642 HD12 LEU 88 2HD1 LEU 88 1.682 -8.087 3.095 643 HD13 LEU 88 3HD1 LEU 88 2.655 -8.282 4.553 644 HD21 LEU 88 3HD2 LEU 88 0.171 -8.568 6.968 645 HD22 LEU 88 1HD2 LEU 88 0.843 -6.945 6.800 646 HD23 LEU 88 2HD2 LEU 88 1.879 -8.358 6.594 647 H ARG 89 H ARG 89 -1.915 -4.856 6.403 648 HA ARG 89 HA ARG 89 -4.175 -3.911 4.662 649 HB2 ARG 89 1HB ARG 89 -4.924 -4.390 6.992 650 HB3 ARG 89 2HB ARG 89 -3.712 -3.256 7.588 651 HG2 ARG 89 1HG ARG 89 -4.764 -1.423 6.379 652 HG3 ARG 89 2HG ARG 89 -5.919 -2.532 5.639 653 HD2 ARG 89 1HD ARG 89 -5.657 -2.125 8.630 654 HD3 ARG 89 2HD ARG 89 -6.834 -1.279 7.625 655 HE ARG 89 HE ARG 89 -7.104 -4.067 7.134 656 HH11 ARG 89 1HH2 ARG 89 -7.489 -1.711 9.616 657 HH12 ARG 89 2HH2 ARG 89 -8.778 -2.556 10.405 658 HH21 ARG 89 1HH1 ARG 89 -8.785 -5.186 8.144 659 HH22 ARG 89 2HH1 ARG 89 -9.513 -4.527 9.571 660 H LEU 90 H LEU 90 -3.727 -2.048 3.616 661 HA LEU 90 HA LEU 90 -1.255 -0.544 4.372 662 HB2 LEU 90 1HB LEU 90 -2.874 -0.468 1.808 663 HB3 LEU 90 2HB LEU 90 -1.331 0.336 2.089 664 HG LEU 90 HG LEU 90 -1.780 -2.663 2.191 665 HD11 LEU 90 1HD1 LEU 90 -0.502 -0.872 0.105 666 HD12 LEU 90 2HD1 LEU 90 -1.953 -1.855 -0.092 667 HD13 LEU 90 3HD1 LEU 90 -0.382 -2.632 0.107 668 HD21 LEU 90 3HD2 LEU 90 0.849 -2.496 2.044 669 HD22 LEU 90 1HD2 LEU 90 0.056 -2.287 3.604 670 HD23 LEU 90 2HD2 LEU 90 0.599 -0.876 2.696 671 H HIS 91 H HIS 91 -1.443 1.491 5.156 672 HA HIS 91 HA HIS 91 -4.143 2.808 5.062 673 HB2 HIS 91 1HB HIS 91 -3.428 2.097 7.337 674 HB3 HIS 91 2HB HIS 91 -1.979 3.089 7.168 675 HD1 HIS 91 HD1 HIS 91 -5.730 3.665 6.659 676 HD2 HIS 91 HD2 HIS 91 -2.395 5.560 8.291 677 HE1 HIS 91 HE1 HIS 91 -6.545 5.877 7.585 678 H VAL 92 H VAL 92 -4.182 4.643 3.913 679 HA VAL 92 HA VAL 92 -1.602 6.044 3.316 680 HB VAL 92 HB VAL 92 -4.282 6.001 1.894 681 HG11 VAL 92 1HG1 VAL 92 -3.529 8.249 1.674 682 HG12 VAL 92 2HG1 VAL 92 -2.992 7.444 0.200 683 HG13 VAL 92 3HG1 VAL 92 -1.847 7.747 1.506 684 HG21 VAL 92 3HG2 VAL 92 -1.495 5.202 0.995 685 HG22 VAL 92 1HG2 VAL 92 -2.986 5.013 0.074 686 HG23 VAL 92 2HG2 VAL 92 -2.733 4.070 1.542 687 H VAL 93 H VAL 93 -1.302 8.026 4.207 688 HA VAL 93 HA VAL 93 -3.582 9.285 5.670 689 HB VAL 93 HB VAL 93 -0.628 9.946 5.823 690 HG11 VAL 93 1HG1 VAL 93 -1.318 10.943 7.998 691 HG12 VAL 93 2HG1 VAL 93 -2.997 10.554 7.620 692 HG13 VAL 93 3HG1 VAL 93 -2.115 11.717 6.629 693 HG21 VAL 93 3HG2 VAL 93 -2.293 8.141 7.609 694 HG22 VAL 93 1HG2 VAL 93 -0.600 8.565 7.859 695 HG23 VAL 93 2HG2 VAL 93 -1.067 7.587 6.468 696 H ASP 94 H ASP 94 -4.626 10.806 4.493 697 HA ASP 94 HA ASP 94 -3.131 12.349 2.424 698 HB2 ASP 94 1HB ASP 94 -5.180 11.341 1.631 699 HB3 ASP 94 2HB ASP 94 -6.091 12.005 2.987 700 H SER 95 H SER 95 -2.276 14.232 3.140 701 HA SER 95 HA SER 95 -3.901 16.283 4.321 702 HB2 SER 95 1HB SER 95 -3.690 14.946 6.357 703 HB3 SER 95 2HB SER 95 -1.939 14.885 6.166 704 HG SER 95 HG SER 95 -2.341 16.549 7.547 Start of MODEL 3 1 H1 MET 1 1H MET 1 -25.401 -31.286 -12.983 2 H2 MET 1 2H MET 1 -24.818 -32.449 -14.077 3 H3 MET 1 3H MET 1 -24.927 -30.819 -14.544 4 HA MET 1 HA MET 1 -23.096 -31.976 -12.520 5 HB2 MET 1 1HB MET 1 -21.417 -30.883 -14.161 6 HB3 MET 1 2HB MET 1 -22.192 -32.385 -14.664 7 HG2 MET 1 1HG MET 1 -23.829 -31.150 -15.984 8 HG3 MET 1 2HG MET 1 -23.182 -29.617 -15.405 9 HE1 MET 1 3HE MET 1 -22.679 -32.840 -17.080 10 HE2 MET 1 1HE MET 1 -20.968 -32.896 -16.637 11 HE3 MET 1 2HE MET 1 -21.440 -32.629 -18.312 12 H GLY 2 H GLY 2 -21.421 -30.246 -11.959 13 HA2 GLY 2 1HA GLY 2 -22.749 -28.047 -10.685 14 HA3 GLY 2 2HA GLY 2 -21.006 -28.284 -10.768 15 H HIS 3 H HIS 3 -22.529 -25.827 -11.086 16 HA HIS 3 HA HIS 3 -22.341 -25.134 -13.941 17 HB2 HIS 3 1HB HIS 3 -23.203 -22.950 -13.230 18 HB3 HIS 3 2HB HIS 3 -24.187 -24.241 -12.543 19 HD1 HIS 3 HD1 HIS 3 -23.521 -24.918 -9.980 20 HD2 HIS 3 HD2 HIS 3 -22.145 -21.223 -11.337 21 HE1 HIS 3 HE1 HIS 3 -22.874 -23.592 -7.919 22 H HIS 4 H HIS 4 -19.896 -25.938 -12.911 23 HA HIS 4 HA HIS 4 -18.306 -23.494 -13.339 24 HB2 HIS 4 1HB HIS 4 -16.867 -23.957 -11.362 25 HB3 HIS 4 2HB HIS 4 -18.510 -23.509 -10.913 26 HD1 HIS 4 HD1 HIS 4 -20.043 -25.381 -9.941 27 HD2 HIS 4 HD2 HIS 4 -16.161 -26.651 -10.774 28 HE1 HIS 4 HE1 HIS 4 -19.778 -27.645 -8.836 29 H HIS 5 H HIS 5 -16.287 -23.926 -14.194 30 HA HIS 5 HA HIS 5 -15.957 -26.397 -15.612 31 HB2 HIS 5 1HB HIS 5 -15.036 -24.239 -16.419 32 HB3 HIS 5 2HB HIS 5 -13.905 -24.219 -15.062 33 HD1 HIS 5 HD1 HIS 5 -11.922 -25.878 -15.130 34 HD2 HIS 5 HD2 HIS 5 -14.442 -26.176 -18.437 35 HE1 HIS 5 HE1 HIS 5 -10.722 -27.336 -16.816 36 H HIS 6 H HIS 6 -14.396 -25.059 -12.695 37 HA HIS 6 HA HIS 6 -13.800 -27.791 -11.791 38 HB2 HIS 6 1HB HIS 6 -11.391 -27.333 -11.441 39 HB3 HIS 6 2HB HIS 6 -11.827 -27.330 -13.147 40 HD1 HIS 6 HD1 HIS 6 -12.559 -24.401 -10.885 41 HD2 HIS 6 HD2 HIS 6 -9.857 -25.437 -13.887 42 HE1 HIS 6 HE1 HIS 6 -11.317 -22.281 -11.495 43 H HIS 7 H HIS 7 -12.832 -27.775 -9.590 44 HA HIS 7 HA HIS 7 -14.350 -26.120 -7.818 45 HB2 HIS 7 1HB HIS 7 -11.923 -27.878 -7.309 46 HB3 HIS 7 2HB HIS 7 -12.887 -27.127 -6.038 47 HD1 HIS 7 HD1 HIS 7 -15.570 -27.726 -6.200 48 HD2 HIS 7 HD2 HIS 7 -12.936 -30.336 -8.105 49 HE1 HIS 7 HE1 HIS 7 -16.842 -29.885 -6.567 50 H HIS 8 H HIS 8 -10.904 -26.053 -8.753 51 HA HIS 8 HA HIS 8 -10.767 -23.189 -8.424 52 HB2 HIS 8 1HB HIS 8 -10.738 -23.798 -6.046 53 HB3 HIS 8 2HB HIS 8 -9.373 -24.878 -6.328 54 HD1 HIS 8 HD1 HIS 8 -10.213 -21.185 -6.873 55 HD2 HIS 8 HD2 HIS 8 -6.947 -23.611 -5.958 56 HE1 HIS 8 HE1 HIS 8 -8.260 -19.628 -6.442 57 H SER 9 H SER 9 -8.818 -22.332 -9.183 58 HA SER 9 HA SER 9 -7.359 -24.048 -11.021 59 HB2 SER 9 1HB SER 9 -6.224 -22.012 -11.699 60 HB3 SER 9 2HB SER 9 -7.938 -21.660 -11.515 61 HG SER 9 HG SER 9 -7.525 -20.506 -9.754 62 H HIS 10 H HIS 10 -4.946 -23.937 -11.076 63 HA HIS 10 HA HIS 10 -3.623 -23.721 -8.438 64 HB2 HIS 10 1HB HIS 10 -2.650 -26.004 -8.692 65 HB3 HIS 10 2HB HIS 10 -4.397 -26.031 -8.461 66 HD1 HIS 10 HD1 HIS 10 -5.835 -26.222 -10.779 67 HD2 HIS 10 HD2 HIS 10 -1.813 -27.297 -11.001 68 HE1 HIS 10 HE1 HIS 10 -5.572 -27.583 -12.899 69 H GLY 11 H GLY 11 -1.414 -23.425 -8.593 70 HA2 GLY 11 1HA GLY 11 0.512 -23.846 -10.367 71 HA3 GLY 11 2HA GLY 11 -0.416 -22.660 -11.284 72 H LYS 12 H LYS 12 1.563 -21.391 -11.147 73 HA LYS 12 HA LYS 12 2.354 -20.294 -8.544 74 HB2 LYS 12 1HB LYS 12 4.047 -19.083 -9.804 75 HB3 LYS 12 2HB LYS 12 4.017 -20.757 -10.356 76 HG2 LYS 12 1HG LYS 12 2.535 -20.054 -12.249 77 HG3 LYS 12 2HG LYS 12 2.723 -18.379 -11.733 78 HD2 LYS 12 1HD LYS 12 5.210 -18.653 -11.962 79 HD3 LYS 12 2HD LYS 12 4.918 -20.244 -12.665 80 HE2 LYS 12 1HE LYS 12 3.891 -17.605 -13.751 81 HE3 LYS 12 2HE LYS 12 5.187 -18.578 -14.445 82 HZ1 LYS 12 3HZ LYS 12 2.855 -20.139 -14.023 83 HZ2 LYS 12 1HZ LYS 12 3.717 -19.866 -15.458 84 HZ3 LYS 12 2HZ LYS 12 2.498 -18.783 -14.982 85 H SER 13 H SER 13 2.100 -18.165 -7.912 86 HA SER 13 HA SER 13 0.510 -16.317 -9.574 87 HB2 SER 13 1HB SER 13 -1.191 -15.983 -7.844 88 HB3 SER 13 2HB SER 13 -1.180 -17.662 -8.371 89 HG SER 13 HG SER 13 -0.197 -18.248 -6.508 90 H ASP 14 H ASP 14 1.610 -14.494 -9.470 91 HA ASP 14 HA ASP 14 3.257 -13.829 -7.091 92 HB2 ASP 14 1HB ASP 14 3.045 -12.556 -9.846 93 HB3 ASP 14 2HB ASP 14 4.095 -11.967 -8.556 94 H PHE 15 H PHE 15 0.164 -13.615 -7.653 95 HA PHE 15 HA PHE 15 -0.197 -10.747 -6.884 96 HB2 PHE 15 1HB PHE 15 -2.202 -12.821 -7.839 97 HB3 PHE 15 2HB PHE 15 -2.582 -11.152 -7.422 98 HD1 PHE 15 HD1 PHE 15 -0.878 -13.350 -9.841 99 HD2 PHE 15 HD2 PHE 15 -1.913 -9.302 -8.847 100 HE1 PHE 15 HE1 PHE 15 -0.258 -12.630 -12.131 101 HE2 PHE 15 HE2 PHE 15 -1.292 -8.581 -11.137 102 HZ PHE 15 HZ PHE 15 -0.464 -10.245 -12.779 103 H ILE 16 H ILE 16 -1.258 -10.219 -5.023 104 HA ILE 16 HA ILE 16 -2.063 -12.406 -3.163 105 HB ILE 16 HB ILE 16 -0.946 -11.200 -1.312 106 HG12 ILE 16 1HG1 ILE 16 0.326 -9.535 -3.511 107 HG13 ILE 16 2HG1 ILE 16 -0.946 -8.946 -2.443 108 HG21 ILE 16 1HG2 ILE 16 0.164 -13.056 -2.594 109 HG22 ILE 16 2HG2 ILE 16 1.297 -11.931 -1.845 110 HG23 ILE 16 3HG2 ILE 16 0.968 -11.831 -3.575 111 HD11 ILE 16 3HD1 ILE 16 1.195 -8.251 -1.538 112 HD12 ILE 16 1HD1 ILE 16 1.808 -9.903 -1.618 113 HD13 ILE 16 2HD1 ILE 16 0.520 -9.494 -0.485 114 H LYS 17 H LYS 17 -3.409 -11.639 -1.409 115 HA LYS 17 HA LYS 17 -5.116 -9.326 -2.242 116 HB2 LYS 17 1HB LYS 17 -5.732 -11.793 -0.588 117 HB3 LYS 17 2HB LYS 17 -6.848 -10.443 -0.799 118 HG2 LYS 17 1HG LYS 17 -6.780 -10.769 -3.247 119 HG3 LYS 17 2HG LYS 17 -5.683 -12.133 -3.033 120 HD2 LYS 17 1HD LYS 17 -7.397 -13.305 -1.695 121 HD3 LYS 17 2HD LYS 17 -8.496 -11.944 -1.913 122 HE2 LYS 17 1HE LYS 17 -8.426 -12.285 -4.364 123 HE3 LYS 17 2HE LYS 17 -7.346 -13.660 -4.134 124 HZ1 LYS 17 3HZ LYS 17 -9.312 -14.751 -4.162 125 HZ2 LYS 17 1HZ LYS 17 -10.202 -13.426 -3.587 126 HZ3 LYS 17 2HZ LYS 17 -9.286 -14.366 -2.508 127 H VAL 18 H VAL 18 -5.138 -7.600 -0.978 128 HA VAL 18 HA VAL 18 -4.452 -7.836 1.907 129 HB VAL 18 HB VAL 18 -2.988 -5.844 1.733 130 HG11 VAL 18 1HG1 VAL 18 -2.063 -8.012 -0.163 131 HG12 VAL 18 2HG1 VAL 18 -2.164 -8.252 1.582 132 HG13 VAL 18 3HG1 VAL 18 -1.077 -7.030 0.921 133 HG21 VAL 18 3HG2 VAL 18 -3.364 -6.264 -1.254 134 HG22 VAL 18 1HG2 VAL 18 -2.183 -5.176 -0.527 135 HG23 VAL 18 2HG2 VAL 18 -3.905 -4.866 -0.324 136 H ASN 19 H ASN 19 -4.948 -5.803 3.067 137 HA ASN 19 HA ASN 19 -7.485 -4.629 2.030 138 HB2 ASN 19 1HB ASN 19 -6.316 -4.809 4.826 139 HB3 ASN 19 2HB ASN 19 -7.801 -3.946 4.430 140 HD21 ASN 19 2HD2 ASN 19 -8.634 -5.931 2.369 141 HD22 ASN 19 1HD2 ASN 19 -9.135 -7.307 3.223 142 H VAL 20 H VAL 20 -7.735 -2.470 1.814 143 HA VAL 20 HA VAL 20 -5.376 -0.709 2.389 144 HB VAL 20 HB VAL 20 -7.179 -0.755 -0.045 145 HG11 VAL 20 1HG1 VAL 20 -5.680 1.228 -0.717 146 HG12 VAL 20 2HG1 VAL 20 -5.268 1.342 0.994 147 HG13 VAL 20 3HG1 VAL 20 -6.940 1.554 0.474 148 HG21 VAL 20 3HG2 VAL 20 -5.096 -1.114 -1.243 149 HG22 VAL 20 1HG2 VAL 20 -5.200 -2.308 0.051 150 HG23 VAL 20 2HG2 VAL 20 -4.164 -0.893 0.237 151 H SER 21 H SER 21 -5.820 1.057 3.501 152 HA SER 21 HA SER 21 -8.666 1.940 3.807 153 HB2 SER 21 1HB SER 21 -6.550 1.629 5.957 154 HB3 SER 21 2HB SER 21 -8.069 2.492 6.188 155 HG SER 21 HG SER 21 -7.728 -0.234 5.457 156 H ASN 22 H ASN 22 -8.932 4.164 4.242 157 HA ASN 22 HA ASN 22 -6.552 5.915 3.778 158 HB2 ASN 22 1HB ASN 22 -7.813 5.611 1.643 159 HB3 ASN 22 2HB ASN 22 -9.252 6.257 2.434 160 HD21 ASN 22 2HD2 ASN 22 -8.720 7.852 0.442 161 HD22 ASN 22 1HD2 ASN 22 -7.809 9.221 0.863 162 H SER 23 H SER 23 -6.583 7.812 4.875 163 HA SER 23 HA SER 23 -8.400 8.020 7.150 164 HB2 SER 23 1HB SER 23 -6.192 9.860 6.166 165 HB3 SER 23 2HB SER 23 -7.048 10.042 7.695 166 HG SER 23 HG SER 23 -5.110 8.223 6.927 167 H HIS 24 H HIS 24 -8.585 8.957 3.946 168 HA HIS 24 HA HIS 24 -10.558 11.126 4.593 169 HB2 HIS 24 1HB HIS 24 -8.551 10.970 2.330 170 HB3 HIS 24 2HB HIS 24 -9.904 12.104 2.356 171 HD1 HIS 24 HD1 HIS 24 -6.815 11.191 4.375 172 HD2 HIS 24 HD2 HIS 24 -9.486 14.362 3.936 173 HE1 HIS 24 HE1 HIS 24 -5.887 13.107 5.749 174 H ASN 25 H ASN 25 -12.340 11.281 3.212 175 HA ASN 25 HA ASN 25 -14.154 10.437 2.026 176 HB2 ASN 25 1HB ASN 25 -11.862 9.210 0.485 177 HB3 ASN 25 2HB ASN 25 -13.545 9.039 -0.006 178 HD21 ASN 25 2HD2 ASN 25 -11.580 10.446 -1.600 179 HD22 ASN 25 1HD2 ASN 25 -12.036 12.081 -1.660 180 H ASP 26 H ASP 26 -12.364 8.670 4.044 181 HA ASP 26 HA ASP 26 -12.499 6.538 4.999 182 HB2 ASP 26 1HB ASP 26 -15.382 7.199 4.365 183 HB3 ASP 26 2HB ASP 26 -14.906 5.795 5.319 184 H ALA 27 H ALA 27 -12.031 6.663 2.083 185 HA ALA 27 HA ALA 27 -13.525 4.531 0.821 186 HB1 ALA 27 3HB ALA 27 -12.507 6.155 -0.615 187 HB2 ALA 27 1HB ALA 27 -11.633 4.648 -0.877 188 HB3 ALA 27 2HB ALA 27 -10.922 5.916 0.123 189 H VAL 28 H VAL 28 -13.335 2.460 1.265 190 HA VAL 28 HA VAL 28 -10.678 1.358 2.113 191 HB VAL 28 HB VAL 28 -13.435 0.698 3.194 192 HG11 VAL 28 1HG1 VAL 28 -12.058 -0.911 4.650 193 HG12 VAL 28 2HG1 VAL 28 -10.774 -0.714 3.457 194 HG13 VAL 28 3HG1 VAL 28 -12.327 -1.400 2.976 195 HG21 VAL 28 3HG2 VAL 28 -10.892 1.757 4.467 196 HG22 VAL 28 1HG2 VAL 28 -12.356 1.328 5.349 197 HG23 VAL 28 2HG2 VAL 28 -12.379 2.668 4.203 198 H ALA 29 H ALA 29 -10.018 -0.333 0.960 199 HA ALA 29 HA ALA 29 -11.947 -1.652 -0.922 200 HB1 ALA 29 3HB ALA 29 -9.957 -0.264 -1.841 201 HB2 ALA 29 1HB ALA 29 -10.220 -1.878 -2.495 202 HB3 ALA 29 2HB ALA 29 -8.955 -1.611 -1.296 203 H PHE 30 H PHE 30 -12.143 -3.805 -0.831 204 HA PHE 30 HA PHE 30 -10.446 -5.300 1.139 205 HB2 PHE 30 1HB PHE 30 -13.313 -5.779 0.265 206 HB3 PHE 30 2HB PHE 30 -12.394 -6.846 1.324 207 HD1 PHE 30 HD2 PHE 30 -11.453 -5.894 3.501 208 HD2 PHE 30 HD1 PHE 30 -14.405 -3.857 1.135 209 HE1 PHE 30 HE2 PHE 30 -12.060 -4.497 5.458 210 HE2 PHE 30 HE1 PHE 30 -15.011 -2.462 3.093 211 HZ PHE 30 HZ PHE 30 -13.839 -2.781 5.255 212 H GLU 31 H GLU 31 -9.522 -7.156 0.534 213 HA GLU 31 HA GLU 31 -8.568 -8.751 -0.858 214 HB2 GLU 31 1HB GLU 31 -11.377 -8.631 -1.969 215 HB3 GLU 31 2HB GLU 31 -10.188 -9.839 -2.458 216 HG2 GLU 31 1HG GLU 31 -9.976 -10.613 -0.142 217 HG3 GLU 31 2HG GLU 31 -11.095 -9.364 0.400 218 H VAL 32 H VAL 32 -7.792 -6.228 -1.542 219 HA VAL 32 HA VAL 32 -8.252 -5.716 -4.375 220 HB VAL 32 HB VAL 32 -7.693 -3.969 -2.569 221 HG11 VAL 32 1HG1 VAL 32 -5.442 -3.625 -1.937 222 HG12 VAL 32 2HG1 VAL 32 -4.829 -4.685 -3.207 223 HG13 VAL 32 3HG1 VAL 32 -5.651 -5.371 -1.805 224 HG21 VAL 32 3HG2 VAL 32 -6.502 -2.573 -4.195 225 HG22 VAL 32 1HG2 VAL 32 -7.735 -3.530 -5.015 226 HG23 VAL 32 2HG2 VAL 32 -6.039 -4.007 -5.110 227 H LYS 33 H LYS 33 -7.198 -6.571 -6.016 228 HA LYS 33 HA LYS 33 -4.937 -8.399 -5.520 229 HB2 LYS 33 1HB LYS 33 -6.901 -8.972 -7.016 230 HB3 LYS 33 2HB LYS 33 -6.291 -7.766 -8.150 231 HG2 LYS 33 1HG LYS 33 -4.195 -8.949 -8.392 232 HG3 LYS 33 2HG LYS 33 -4.624 -10.069 -7.103 233 HD2 LYS 33 1HD LYS 33 -5.119 -11.309 -9.030 234 HD3 LYS 33 2HD LYS 33 -6.690 -10.645 -8.595 235 HE2 LYS 33 1HE LYS 33 -6.231 -10.369 -11.011 236 HE3 LYS 33 2HE LYS 33 -6.375 -8.811 -10.208 237 HZ1 LYS 33 3HZ LYS 33 -4.246 -9.714 -11.705 238 HZ2 LYS 33 1HZ LYS 33 -3.703 -9.748 -10.100 239 HZ3 LYS 33 2HZ LYS 33 -4.307 -8.304 -10.761 240 H LEU 34 H LEU 34 -2.962 -7.608 -5.540 241 HA LEU 34 HA LEU 34 -2.179 -5.621 -7.624 242 HB2 LEU 34 1HB LEU 34 -1.399 -5.504 -4.690 243 HB3 LEU 34 2HB LEU 34 -0.782 -4.449 -5.957 244 HG LEU 34 HG LEU 34 -3.727 -4.694 -5.282 245 HD11 LEU 34 1HD1 LEU 34 -3.362 -2.423 -4.214 246 HD12 LEU 34 2HD1 LEU 34 -1.630 -2.733 -4.320 247 HD13 LEU 34 3HD1 LEU 34 -2.654 -3.778 -3.334 248 HD21 LEU 34 3HD2 LEU 34 -3.621 -2.363 -6.460 249 HD22 LEU 34 1HD2 LEU 34 -3.544 -3.805 -7.464 250 HD23 LEU 34 2HD2 LEU 34 -2.070 -2.916 -7.084 251 H ALA 35 H ALA 35 -0.340 -6.132 -8.619 252 HA ALA 35 HA ALA 35 0.946 -8.668 -8.104 253 HB1 ALA 35 3HB ALA 35 2.603 -7.696 -9.883 254 HB2 ALA 35 1HB ALA 35 1.416 -6.396 -10.026 255 HB3 ALA 35 2HB ALA 35 0.949 -8.060 -10.369 256 H LYS 36 H LYS 36 2.858 -9.096 -7.148 257 HA LYS 36 HA LYS 36 3.884 -7.250 -5.193 258 HB2 LYS 36 1HB LYS 36 4.923 -9.908 -6.215 259 HB3 LYS 36 2HB LYS 36 5.628 -9.037 -4.855 260 HG2 LYS 36 1HG LYS 36 3.393 -9.078 -3.726 261 HG3 LYS 36 2HG LYS 36 2.783 -10.075 -5.044 262 HD2 LYS 36 1HD LYS 36 5.221 -10.857 -3.440 263 HD3 LYS 36 2HD LYS 36 3.594 -11.317 -2.946 264 HE2 LYS 36 1HE LYS 36 3.307 -12.304 -5.285 265 HE3 LYS 36 2HE LYS 36 5.043 -12.082 -5.490 266 HZ1 LYS 36 3HZ LYS 36 4.658 -13.292 -3.025 267 HZ2 LYS 36 1HZ LYS 36 5.347 -13.968 -4.421 268 HZ3 LYS 36 2HZ LYS 36 3.680 -14.129 -4.135 269 H ASP 37 H ASP 37 4.575 -7.769 -8.521 270 HA ASP 37 HA ASP 37 7.343 -6.824 -8.415 271 HB2 ASP 37 1HB ASP 37 5.421 -7.329 -10.709 272 HB3 ASP 37 2HB ASP 37 7.074 -6.761 -10.940 273 H LEU 38 H LEU 38 4.422 -5.268 -8.052 274 HA LEU 38 HA LEU 38 4.959 -2.872 -9.615 275 HB2 LEU 38 1HB LEU 38 3.017 -3.459 -7.363 276 HB3 LEU 38 2HB LEU 38 3.111 -1.897 -8.168 277 HG LEU 38 HG LEU 38 2.704 -4.475 -9.698 278 HD11 LEU 38 1HD1 LEU 38 0.657 -2.608 -8.473 279 HD12 LEU 38 2HD1 LEU 38 0.830 -4.341 -8.192 280 HD13 LEU 38 3HD1 LEU 38 0.272 -3.753 -9.759 281 HD21 LEU 38 3HD2 LEU 38 3.357 -2.747 -11.186 282 HD22 LEU 38 1HD2 LEU 38 2.451 -1.519 -10.306 283 HD23 LEU 38 2HD2 LEU 38 1.604 -2.719 -11.274 284 H THR 39 H THR 39 5.894 -1.008 -8.973 285 HA THR 39 HA THR 39 7.569 -1.109 -6.563 286 HB THR 39 HB THR 39 8.711 0.752 -7.452 287 HG1 THR 39 HG1 THR 39 7.122 2.189 -7.828 288 HG21 THR 39 3HG2 THR 39 8.687 -1.386 -8.904 289 HG22 THR 39 1HG2 THR 39 9.280 0.099 -9.644 290 HG23 THR 39 2HG2 THR 39 7.647 -0.467 -9.995 291 H VAL 40 H VAL 40 7.652 0.844 -5.156 292 HA VAL 40 HA VAL 40 5.119 1.320 -3.925 293 HB VAL 40 HB VAL 40 7.793 2.727 -3.655 294 HG11 VAL 40 1HG1 VAL 40 6.198 4.331 -2.918 295 HG12 VAL 40 2HG1 VAL 40 6.737 3.523 -1.446 296 HG13 VAL 40 3HG1 VAL 40 5.188 3.094 -2.171 297 HG21 VAL 40 3HG2 VAL 40 7.725 0.364 -2.932 298 HG22 VAL 40 1HG2 VAL 40 6.333 0.721 -1.909 299 HG23 VAL 40 2HG2 VAL 40 7.903 1.441 -1.546 300 H ALA 41 H ALA 41 7.154 3.308 -6.048 301 HA ALA 41 HA ALA 41 5.569 5.667 -6.035 302 HB1 ALA 41 3HB ALA 41 7.870 5.514 -6.989 303 HB2 ALA 41 1HB ALA 41 6.728 6.215 -8.134 304 HB3 ALA 41 2HB ALA 41 7.237 4.537 -8.315 305 H GLN 42 H GLN 42 5.467 2.774 -8.079 306 HA GLN 42 HA GLN 42 3.379 3.654 -9.834 307 HB2 GLN 42 1HB GLN 42 4.303 0.880 -9.010 308 HB3 GLN 42 2HB GLN 42 3.111 1.176 -10.277 309 HG2 GLN 42 1HG GLN 42 5.884 2.391 -10.284 310 HG3 GLN 42 2HG GLN 42 5.476 0.896 -11.124 311 HE21 GLN 42 2HE2 GLN 42 6.134 3.852 -12.011 312 HE22 GLN 42 1HE2 GLN 42 4.937 4.161 -13.171 313 H LEU 43 H LEU 43 3.407 1.949 -6.743 314 HA LEU 43 HA LEU 43 0.653 1.264 -6.655 315 HB2 LEU 43 1HB LEU 43 2.317 0.306 -5.095 316 HB3 LEU 43 2HB LEU 43 2.551 1.892 -4.359 317 HG LEU 43 HG LEU 43 0.188 1.924 -3.653 318 HD11 LEU 43 1HD1 LEU 43 -1.043 0.706 -5.214 319 HD12 LEU 43 2HD1 LEU 43 -0.963 -0.448 -3.889 320 HD13 LEU 43 3HD1 LEU 43 0.124 -0.615 -5.266 321 HD21 LEU 43 3HD2 LEU 43 1.356 -0.743 -2.857 322 HD22 LEU 43 1HD2 LEU 43 0.379 0.356 -1.884 323 HD23 LEU 43 2HD2 LEU 43 2.042 0.780 -2.290 324 H LYS 44 H LYS 44 2.417 4.147 -5.604 325 HA LYS 44 HA LYS 44 0.252 5.489 -4.328 326 HB2 LYS 44 1HB LYS 44 2.737 6.533 -5.718 327 HB3 LYS 44 2HB LYS 44 1.608 7.580 -4.857 328 HG2 LYS 44 1HG LYS 44 1.942 6.221 -2.803 329 HG3 LYS 44 2HG LYS 44 3.119 5.233 -3.667 330 HD2 LYS 44 1HD LYS 44 4.544 7.192 -4.033 331 HD3 LYS 44 2HD LYS 44 3.350 8.228 -3.250 332 HE2 LYS 44 1HE LYS 44 3.632 6.975 -1.144 333 HE3 LYS 44 2HE LYS 44 4.822 5.932 -1.920 334 HZ1 LYS 44 3HZ LYS 44 6.396 7.457 -1.654 335 HZ2 LYS 44 1HZ LYS 44 5.324 8.299 -0.645 336 HZ3 LYS 44 2HZ LYS 44 5.424 8.695 -2.294 337 H THR 45 H THR 45 1.358 5.430 -7.685 338 HA THR 45 HA THR 45 -0.387 7.429 -8.725 339 HB THR 45 HB THR 45 0.734 4.936 -10.063 340 HG1 THR 45 HG1 THR 45 2.497 6.056 -10.221 341 HG21 THR 45 3HG2 THR 45 -1.103 5.795 -11.375 342 HG22 THR 45 1HG2 THR 45 0.396 6.306 -12.152 343 HG23 THR 45 2HG2 THR 45 -0.528 7.450 -11.180 344 H LYS 46 H LYS 46 -0.761 3.903 -8.408 345 HA LYS 46 HA LYS 46 -3.374 3.728 -9.565 346 HB2 LYS 46 1HB LYS 46 -1.987 1.982 -7.503 347 HB3 LYS 46 2HB LYS 46 -3.501 1.566 -8.302 348 HG2 LYS 46 1HG LYS 46 -2.421 1.587 -10.483 349 HG3 LYS 46 2HG LYS 46 -0.916 2.161 -9.771 350 HD2 LYS 46 1HD LYS 46 -0.556 -0.162 -9.985 351 HD3 LYS 46 2HD LYS 46 -1.030 0.018 -8.299 352 HE2 LYS 46 1HE LYS 46 -3.304 -0.663 -8.802 353 HE3 LYS 46 2HE LYS 46 -2.965 -0.669 -10.530 354 HZ1 LYS 46 3HZ LYS 46 -1.343 -2.322 -8.724 355 HZ2 LYS 46 1HZ LYS 46 -1.698 -2.552 -10.367 356 HZ3 LYS 46 2HZ LYS 46 -2.885 -2.859 -9.192 357 H LEU 47 H LEU 47 -2.245 4.121 -6.217 358 HA LEU 47 HA LEU 47 -4.834 4.101 -4.988 359 HB2 LEU 47 1HB LEU 47 -2.211 5.358 -4.106 360 HB3 LEU 47 2HB LEU 47 -3.648 5.282 -3.094 361 HG LEU 47 HG LEU 47 -2.349 2.832 -4.324 362 HD11 LEU 47 1HD1 LEU 47 -0.760 3.881 -2.791 363 HD12 LEU 47 2HD1 LEU 47 -1.434 2.436 -2.037 364 HD13 LEU 47 3HD1 LEU 47 -2.012 4.031 -1.559 365 HD21 LEU 47 3HD2 LEU 47 -4.598 3.329 -2.371 366 HD22 LEU 47 1HD2 LEU 47 -3.659 1.843 -2.257 367 HD23 LEU 47 2HD2 LEU 47 -4.533 2.216 -3.734 368 H GLU 48 H GLU 48 -2.792 6.667 -6.296 369 HA GLU 48 HA GLU 48 -4.152 8.954 -5.445 370 HB2 GLU 48 1HB GLU 48 -2.047 8.961 -6.785 371 HB3 GLU 48 2HB GLU 48 -2.971 8.483 -8.210 372 HG2 GLU 48 1HG GLU 48 -4.317 10.540 -8.037 373 HG3 GLU 48 2HG GLU 48 -3.421 11.009 -6.594 374 H ILE 49 H ILE 49 -4.825 6.960 -8.320 375 HA ILE 49 HA ILE 49 -7.116 8.475 -9.172 376 HB ILE 49 HB ILE 49 -6.279 5.603 -9.707 377 HG12 ILE 49 1HG1 ILE 49 -6.195 8.042 -11.508 378 HG13 ILE 49 2HG1 ILE 49 -4.826 7.530 -10.522 379 HG21 ILE 49 1HG2 ILE 49 -7.889 5.878 -11.679 380 HG22 ILE 49 2HG2 ILE 49 -8.539 7.277 -10.824 381 HG23 ILE 49 3HG2 ILE 49 -8.638 5.675 -10.094 382 HD11 ILE 49 3HD1 ILE 49 -6.210 5.778 -12.575 383 HD12 ILE 49 1HD1 ILE 49 -4.760 5.372 -11.656 384 HD13 ILE 49 2HD1 ILE 49 -4.709 6.658 -12.861 385 H LEU 50 H LEU 50 -6.749 5.546 -7.204 386 HA LEU 50 HA LEU 50 -9.517 5.007 -6.854 387 HB2 LEU 50 1HB LEU 50 -7.806 3.332 -6.348 388 HB3 LEU 50 2HB LEU 50 -7.146 4.350 -5.069 389 HG LEU 50 HG LEU 50 -9.234 4.161 -3.797 390 HD11 LEU 50 1HD1 LEU 50 -10.156 2.789 -6.316 391 HD12 LEU 50 2HD1 LEU 50 -10.976 4.015 -5.349 392 HD13 LEU 50 3HD1 LEU 50 -10.889 2.355 -4.771 393 HD21 LEU 50 3HD2 LEU 50 -9.177 1.724 -3.338 394 HD22 LEU 50 1HD2 LEU 50 -7.557 2.414 -3.445 395 HD23 LEU 50 2HD2 LEU 50 -8.212 1.487 -4.796 396 H THR 51 H THR 51 -7.224 6.880 -4.889 397 HA THR 51 HA THR 51 -9.398 7.667 -3.031 398 HB THR 51 HB THR 51 -7.622 8.609 -1.669 399 HG1 THR 51 HG1 THR 51 -6.384 8.783 -4.020 400 HG21 THR 51 3HG2 THR 51 -6.572 6.013 -2.814 401 HG22 THR 51 1HG2 THR 51 -7.976 6.094 -1.749 402 HG23 THR 51 2HG2 THR 51 -6.395 6.614 -1.164 403 H GLY 52 H GLY 52 -7.784 8.840 -5.807 404 HA2 GLY 52 1HA GLY 52 -7.991 10.834 -7.004 405 HA3 GLY 52 2HA GLY 52 -9.410 11.184 -6.013 406 H GLY 53 H GLY 53 -6.517 10.532 -4.316 407 HA2 GLY 53 1HA GLY 53 -6.424 13.283 -3.296 408 HA3 GLY 53 2HA GLY 53 -5.487 11.914 -2.701 409 H CYS 54 H CYS 54 -3.727 13.499 -2.704 410 HA CYS 54 HA CYS 54 -2.560 14.012 -5.411 411 HB2 CYS 54 1HB CYS 54 -0.987 15.494 -3.861 412 HB3 CYS 54 2HB CYS 54 -2.573 16.082 -4.352 413 HG CYS 54 HG CYS 54 -3.468 15.160 -1.980 414 H ALA 55 H ALA 55 -1.120 12.569 -6.005 415 HA ALA 55 HA ALA 55 0.046 10.582 -4.344 416 HB1 ALA 55 3HB ALA 55 1.122 11.614 -6.987 417 HB2 ALA 55 1HB ALA 55 -0.189 10.443 -6.837 418 HB3 ALA 55 2HB ALA 55 1.426 10.034 -6.264 419 H GLY 56 H GLY 56 1.012 13.833 -5.107 420 HA2 GLY 56 1HA GLY 56 3.782 13.700 -4.478 421 HA3 GLY 56 2HA GLY 56 2.790 15.152 -4.390 422 H THR 57 H THR 57 0.938 14.260 -2.417 423 HA THR 57 HA THR 57 2.731 14.315 -0.016 424 HB THR 57 HB THR 57 0.868 15.339 1.159 425 HG1 THR 57 HG1 THR 57 -0.999 15.866 -0.305 426 HG21 THR 57 3HG2 THR 57 2.337 16.737 -0.357 427 HG22 THR 57 1HG2 THR 57 0.751 17.429 -0.018 428 HG23 THR 57 2HG2 THR 57 1.057 16.642 -1.567 429 H MET 58 H MET 58 1.201 12.080 -1.764 430 HA MET 58 HA MET 58 -0.332 10.664 0.251 431 HB2 MET 58 1HB MET 58 -0.748 10.425 -2.183 432 HB3 MET 58 2HB MET 58 0.826 9.643 -2.362 433 HG2 MET 58 1HG MET 58 0.097 7.886 -0.755 434 HG3 MET 58 2HG MET 58 -1.480 8.659 -0.662 435 HE1 MET 58 3HE MET 58 -2.778 9.294 -3.149 436 HE2 MET 58 1HE MET 58 -3.316 8.132 -1.930 437 HE3 MET 58 2HE MET 58 -3.371 7.709 -3.635 438 H LYS 59 H LYS 59 0.364 9.267 1.719 439 HA LYS 59 HA LYS 59 3.174 8.224 1.558 440 HB2 LYS 59 1HB LYS 59 1.619 9.127 3.994 441 HB3 LYS 59 2HB LYS 59 3.185 8.319 4.049 442 HG2 LYS 59 1HG LYS 59 4.137 10.150 2.643 443 HG3 LYS 59 2HG LYS 59 2.588 10.985 2.731 444 HD2 LYS 59 1HD LYS 59 4.167 10.168 5.185 445 HD3 LYS 59 2HD LYS 59 4.324 11.750 4.426 446 HE2 LYS 59 1HE LYS 59 1.769 11.941 4.676 447 HE3 LYS 59 2HE LYS 59 1.889 10.559 5.763 448 HZ1 LYS 59 3HZ LYS 59 3.853 12.501 6.385 449 HZ2 LYS 59 1HZ LYS 59 2.636 11.850 7.371 450 HZ3 LYS 59 2HZ LYS 59 2.305 13.201 6.393 451 H VAL 60 H VAL 60 3.447 6.098 2.008 452 HA VAL 60 HA VAL 60 0.977 4.463 2.458 453 HB VAL 60 HB VAL 60 3.643 3.688 1.225 454 HG11 VAL 60 1HG1 VAL 60 1.082 2.167 1.763 455 HG12 VAL 60 2HG1 VAL 60 2.712 1.759 2.298 456 HG13 VAL 60 3HG1 VAL 60 2.283 1.621 0.593 457 HG21 VAL 60 3HG2 VAL 60 2.498 3.713 -0.875 458 HG22 VAL 60 1HG2 VAL 60 2.061 5.228 -0.083 459 HG23 VAL 60 2HG2 VAL 60 0.926 3.879 -0.094 460 H GLN 61 H GLN 61 0.800 3.363 4.284 461 HA GLN 61 HA GLN 61 3.245 2.812 5.928 462 HB2 GLN 61 1HB GLN 61 0.568 3.875 6.883 463 HB3 GLN 61 2HB GLN 61 1.839 3.270 7.949 464 HG2 GLN 61 1HG GLN 61 3.389 4.970 7.115 465 HG3 GLN 61 2HG GLN 61 2.173 5.552 5.981 466 HE21 GLN 61 2HE2 GLN 61 3.461 6.102 9.053 467 HE22 GLN 61 1HE2 GLN 61 2.178 6.992 9.716 468 H VAL 62 H VAL 62 3.410 0.768 6.511 469 HA VAL 62 HA VAL 62 1.239 -1.128 5.897 470 HB VAL 62 HB VAL 62 4.005 -1.693 7.012 471 HG11 VAL 62 1HG1 VAL 62 2.339 -3.515 7.227 472 HG12 VAL 62 2HG1 VAL 62 3.598 -3.931 6.064 473 HG13 VAL 62 3HG1 VAL 62 2.011 -3.409 5.497 474 HG21 VAL 62 3HG2 VAL 62 4.450 -2.277 4.544 475 HG22 VAL 62 1HG2 VAL 62 4.378 -0.561 4.948 476 HG23 VAL 62 2HG2 VAL 62 2.997 -1.344 4.179 477 H PHE 63 H PHE 63 -0.064 -1.973 7.364 478 HA PHE 63 HA PHE 63 0.641 -1.756 10.269 479 HB2 PHE 63 1HB PHE 63 -1.913 -1.033 8.832 480 HB3 PHE 63 2HB PHE 63 -1.966 -1.555 10.518 481 HD1 PHE 63 HD1 PHE 63 -0.679 -0.318 12.258 482 HD2 PHE 63 HD2 PHE 63 -1.061 1.132 8.230 483 HE1 PHE 63 HE1 PHE 63 0.031 1.939 13.001 484 HE2 PHE 63 HE2 PHE 63 -0.349 3.387 8.978 485 HZ PHE 63 HZ PHE 63 0.199 3.790 11.360 486 H LYS 64 H LYS 64 0.085 -3.441 11.532 487 HA LYS 64 HA LYS 64 -1.459 -5.707 10.446 488 HB2 LYS 64 1HB LYS 64 0.968 -6.047 9.788 489 HB3 LYS 64 2HB LYS 64 1.345 -6.142 11.510 490 HG2 LYS 64 1HG LYS 64 -0.167 -8.032 11.781 491 HG3 LYS 64 2HG LYS 64 -0.684 -7.898 10.100 492 HD2 LYS 64 1HD LYS 64 1.639 -8.356 9.364 493 HD3 LYS 64 2HD LYS 64 2.123 -8.544 11.049 494 HE2 LYS 64 1HE LYS 64 -0.019 -10.208 9.693 495 HE3 LYS 64 2HE LYS 64 1.651 -10.728 9.918 496 HZ1 LYS 64 3HZ LYS 64 -0.424 -10.246 11.956 497 HZ2 LYS 64 1HZ LYS 64 1.219 -10.170 12.369 498 HZ3 LYS 64 2HZ LYS 64 0.567 -11.608 11.741 499 H GLY 65 H GLY 65 -2.930 -5.263 12.067 500 HA2 GLY 65 1HA GLY 65 -3.874 -5.809 14.154 501 HA3 GLY 65 2HA GLY 65 -2.285 -6.339 14.706 502 H ASP 66 H ASP 66 -1.749 -5.180 16.431 503 HA ASP 66 HA ASP 66 -2.451 -2.280 16.558 504 HB2 ASP 66 1HB ASP 66 -1.878 -2.524 18.982 505 HB3 ASP 66 2HB ASP 66 -3.203 -3.569 18.476 506 H THR 67 H THR 67 -0.061 -3.966 15.306 507 HA THR 67 HA THR 67 2.060 -2.061 16.233 508 HB THR 67 HB THR 67 2.437 -4.992 15.552 509 HG1 THR 67 HG1 THR 67 2.729 -5.236 17.725 510 HG21 THR 67 3HG2 THR 67 4.744 -4.517 16.448 511 HG22 THR 67 1HG2 THR 67 4.330 -2.803 16.442 512 HG23 THR 67 2HG2 THR 67 4.382 -3.703 14.926 513 H CYS 68 H CYS 68 3.168 -1.081 14.671 514 HA CYS 68 HA CYS 68 2.329 -1.407 11.884 515 HB2 CYS 68 1HB CYS 68 4.595 0.378 12.772 516 HB3 CYS 68 2HB CYS 68 3.407 0.638 11.493 517 HG CYS 68 HG CYS 68 2.950 2.006 13.843 518 H VAL 69 H VAL 69 3.386 -2.524 10.374 519 HA VAL 69 HA VAL 69 5.668 -4.168 11.058 520 HB VAL 69 HB VAL 69 4.409 -3.616 8.344 521 HG11 VAL 69 1HG1 VAL 69 6.560 -4.573 7.986 522 HG12 VAL 69 2HG1 VAL 69 5.436 -5.929 7.897 523 HG13 VAL 69 3HG1 VAL 69 6.386 -5.665 9.358 524 HG21 VAL 69 3HG2 VAL 69 3.912 -5.776 10.420 525 HG22 VAL 69 1HG2 VAL 69 3.277 -5.817 8.775 526 HG23 VAL 69 2HG2 VAL 69 2.766 -4.546 9.886 527 H SER 70 H SER 70 5.222 -1.539 8.658 528 HA SER 70 HA SER 70 7.710 -0.263 9.269 529 HB2 SER 70 1HB SER 70 8.631 -2.332 8.228 530 HB3 SER 70 2HB SER 70 7.744 -1.962 6.758 531 HG SER 70 HG SER 70 10.045 -0.869 7.776 532 H THR 71 H THR 71 8.276 1.388 7.617 533 HA THR 71 HA THR 71 5.845 2.327 6.130 534 HB THR 71 HB THR 71 8.076 3.939 7.414 535 HG1 THR 71 HG1 THR 71 5.665 3.018 8.232 536 HG21 THR 71 3HG2 THR 71 7.414 5.109 5.448 537 HG22 THR 71 1HG2 THR 71 6.496 5.850 6.758 538 HG23 THR 71 2HG2 THR 71 5.717 4.692 5.680 539 H MET 72 H MET 72 6.043 2.508 4.018 540 HA MET 72 HA MET 72 8.418 1.703 2.617 541 HB2 MET 72 1HB MET 72 5.853 3.011 1.666 542 HB3 MET 72 2HB MET 72 7.117 2.423 0.585 543 HG2 MET 72 1HG MET 72 6.882 0.160 1.535 544 HG3 MET 72 2HG MET 72 5.617 0.741 2.616 545 HE1 MET 72 3HE MET 72 4.976 -1.688 0.944 546 HE2 MET 72 1HE MET 72 3.386 -1.262 0.295 547 HE3 MET 72 2HE MET 72 3.816 -0.819 1.945 548 H ASP 73 H ASP 73 10.094 3.100 3.179 549 HA ASP 73 HA ASP 73 9.807 5.996 2.566 550 HB2 ASP 73 1HB ASP 73 10.921 5.228 4.689 551 HB3 ASP 73 2HB ASP 73 12.194 4.500 3.708 552 H ASN 74 H ASN 74 11.207 3.056 1.310 553 HA ASN 74 HA ASN 74 12.929 4.498 -0.618 554 HB2 ASN 74 1HB ASN 74 13.744 2.424 0.463 555 HB3 ASN 74 2HB ASN 74 12.418 1.528 -0.279 556 HD21 ASN 74 2HD2 ASN 74 15.077 0.812 -0.896 557 HD22 ASN 74 1HD2 ASN 74 15.415 1.239 -2.505 558 H ASN 75 H ASN 75 11.895 5.351 -2.308 559 HA ASN 75 HA ASN 75 9.398 4.342 -3.348 560 HB2 ASN 75 1HB ASN 75 9.679 6.042 -5.102 561 HB3 ASN 75 2HB ASN 75 10.003 6.728 -3.513 562 HD21 ASN 75 2HD2 ASN 75 11.124 8.274 -5.301 563 HD22 ASN 75 1HD2 ASN 75 12.776 7.972 -5.550 564 H ASP 76 H ASP 76 12.696 3.573 -3.871 565 HA ASP 76 HA ASP 76 12.218 2.383 -6.543 566 HB2 ASP 76 1HB ASP 76 14.705 2.568 -4.807 567 HB3 ASP 76 2HB ASP 76 14.659 1.835 -6.410 568 H ALA 77 H ALA 77 11.420 1.453 -3.566 569 HA ALA 77 HA ALA 77 12.453 -1.316 -3.674 570 HB1 ALA 77 3HB ALA 77 10.821 0.252 -1.674 571 HB2 ALA 77 1HB ALA 77 12.410 -0.484 -1.466 572 HB3 ALA 77 2HB ALA 77 10.974 -1.502 -1.554 573 H GLN 78 H GLN 78 11.068 -3.119 -3.765 574 HA GLN 78 HA GLN 78 8.803 -2.785 -5.569 575 HB2 GLN 78 1HB GLN 78 10.032 -5.223 -4.256 576 HB3 GLN 78 2HB GLN 78 8.676 -5.295 -5.380 577 HG2 GLN 78 1HG GLN 78 10.035 -4.222 -7.121 578 HG3 GLN 78 2HG GLN 78 11.389 -4.089 -6.001 579 HE21 GLN 78 2HE2 GLN 78 10.612 -5.846 -8.585 580 HE22 GLN 78 1HE2 GLN 78 11.217 -7.372 -8.151 581 H LEU 79 H LEU 79 6.682 -3.605 -5.126 582 HA LEU 79 HA LEU 79 5.609 -2.730 -2.641 583 HB2 LEU 79 1HB LEU 79 4.222 -2.783 -4.658 584 HB3 LEU 79 2HB LEU 79 4.416 -4.531 -4.788 585 HG LEU 79 HG LEU 79 3.212 -4.857 -2.682 586 HD11 LEU 79 1HD1 LEU 79 3.750 -3.027 -1.316 587 HD12 LEU 79 2HD1 LEU 79 2.079 -2.684 -1.747 588 HD13 LEU 79 3HD1 LEU 79 3.391 -1.849 -2.578 589 HD21 LEU 79 3HD2 LEU 79 1.875 -4.668 -4.745 590 HD22 LEU 79 1HD2 LEU 79 1.766 -2.922 -4.518 591 HD23 LEU 79 2HD2 LEU 79 0.998 -4.010 -3.363 592 H GLY 80 H GLY 80 6.396 -5.924 -3.927 593 HA2 GLY 80 1HA GLY 80 5.422 -7.421 -1.662 594 HA3 GLY 80 2HA GLY 80 6.522 -8.020 -2.903 595 H TYR 81 H TYR 81 7.979 -5.307 -1.946 596 HA TYR 81 HA TYR 81 10.097 -6.609 -0.542 597 HB2 TYR 81 1HB TYR 81 10.284 -4.424 -1.789 598 HB3 TYR 81 2HB TYR 81 9.405 -3.651 -0.469 599 HD1 TYR 81 HD2 TYR 81 10.377 -3.655 1.845 600 HD2 TYR 81 HD1 TYR 81 12.592 -5.013 -1.574 601 HE1 TYR 81 HE2 TYR 81 12.485 -3.465 3.136 602 HE2 TYR 81 HE1 TYR 81 14.701 -4.825 -0.282 603 HH TYR 81 HH TYR 81 15.264 -3.148 2.077 604 H TYR 82 H TYR 82 7.395 -4.582 0.588 605 HA TYR 82 HA TYR 82 8.054 -5.334 3.409 606 HB2 TYR 82 1HB TYR 82 6.212 -3.168 2.326 607 HB3 TYR 82 2HB TYR 82 6.570 -3.461 4.028 608 HD1 TYR 82 HD1 TYR 82 8.927 -3.190 4.871 609 HD2 TYR 82 HD2 TYR 82 7.740 -1.955 0.929 610 HE1 TYR 82 HE1 TYR 82 10.964 -1.787 4.696 611 HE2 TYR 82 HE2 TYR 82 9.780 -0.553 0.757 612 HH TYR 82 HH TYR 82 11.958 -0.129 3.507 613 H ALA 83 H ALA 83 5.659 -5.646 0.871 614 HA ALA 83 HA ALA 83 3.772 -7.004 2.757 615 HB1 ALA 83 3HB ALA 83 2.077 -6.685 1.093 616 HB2 ALA 83 1HB ALA 83 3.265 -6.225 -0.128 617 HB3 ALA 83 2HB ALA 83 2.939 -5.153 1.235 618 H ASN 84 H ASN 84 5.581 -8.720 2.664 619 HA ASN 84 HA ASN 84 5.336 -10.477 0.260 620 HB2 ASN 84 1HB ASN 84 7.626 -9.943 1.011 621 HB3 ASN 84 2HB ASN 84 7.264 -10.599 2.609 622 HD21 ASN 84 2HD2 ASN 84 7.404 -11.548 -0.858 623 HD22 ASN 84 1HD2 ASN 84 7.753 -13.182 -0.555 624 H SER 85 H SER 85 3.022 -10.484 1.606 625 HA SER 85 HA SER 85 2.853 -13.226 2.585 626 HB2 SER 85 1HB SER 85 3.544 -11.752 4.586 627 HB3 SER 85 2HB SER 85 1.913 -11.093 4.500 628 HG SER 85 HG SER 85 1.130 -13.226 4.701 629 H ASP 86 H ASP 86 0.366 -12.024 4.123 630 HA ASP 86 HA ASP 86 -1.417 -11.085 2.055 631 HB2 ASP 86 1HB ASP 86 -2.853 -13.081 1.914 632 HB3 ASP 86 2HB ASP 86 -1.233 -13.424 1.313 633 H GLY 87 H GLY 87 -3.235 -10.252 2.925 634 HA2 GLY 87 1HA GLY 87 -5.017 -10.046 4.514 635 HA3 GLY 87 2HA GLY 87 -4.085 -10.998 5.671 636 H LEU 88 H LEU 88 -2.025 -8.820 4.251 637 HA LEU 88 HA LEU 88 -1.779 -7.232 6.656 638 HB2 LEU 88 1HB LEU 88 -0.561 -6.740 3.918 639 HB3 LEU 88 2HB LEU 88 -0.025 -6.041 5.445 640 HG LEU 88 HG LEU 88 -0.034 -9.004 4.791 641 HD11 LEU 88 1HD1 LEU 88 1.719 -7.981 3.527 642 HD12 LEU 88 2HD1 LEU 88 2.491 -8.639 4.970 643 HD13 LEU 88 3HD1 LEU 88 2.152 -6.912 4.861 644 HD21 LEU 88 3HD2 LEU 88 1.487 -8.916 6.937 645 HD22 LEU 88 1HD2 LEU 88 -0.264 -8.897 7.125 646 HD23 LEU 88 2HD2 LEU 88 0.652 -7.395 7.249 647 H ARG 89 H ARG 89 -2.097 -4.973 6.849 648 HA ARG 89 HA ARG 89 -4.197 -3.874 5.006 649 HB2 ARG 89 1HB ARG 89 -4.991 -4.344 7.320 650 HB3 ARG 89 2HB ARG 89 -3.760 -3.243 7.942 651 HG2 ARG 89 1HG ARG 89 -4.738 -1.395 6.635 652 HG3 ARG 89 2HG ARG 89 -5.959 -2.494 5.990 653 HD2 ARG 89 1HD ARG 89 -6.696 -2.950 8.357 654 HD3 ARG 89 2HD ARG 89 -5.590 -1.684 8.890 655 HE ARG 89 HE ARG 89 -7.419 -0.765 6.819 656 HH11 ARG 89 1HH2 ARG 89 -6.997 -1.387 10.212 657 HH12 ARG 89 2HH2 ARG 89 -8.192 -0.228 10.691 658 HH21 ARG 89 1HH1 ARG 89 -8.971 0.734 7.459 659 HH22 ARG 89 2HH1 ARG 89 -9.303 0.965 9.143 660 H LEU 90 H LEU 90 -3.707 -2.091 3.963 661 HA LEU 90 HA LEU 90 -1.241 -0.574 4.725 662 HB2 LEU 90 1HB LEU 90 -2.705 -0.651 2.066 663 HB3 LEU 90 2HB LEU 90 -1.180 0.166 2.402 664 HG LEU 90 HG LEU 90 -1.636 -2.822 2.654 665 HD11 LEU 90 1HD1 LEU 90 -1.671 -2.138 0.313 666 HD12 LEU 90 2HD1 LEU 90 -0.130 -2.924 0.658 667 HD13 LEU 90 3HD1 LEU 90 -0.217 -1.166 0.543 668 HD21 LEU 90 3HD2 LEU 90 0.111 -2.335 4.145 669 HD22 LEU 90 1HD2 LEU 90 0.706 -0.988 3.174 670 HD23 LEU 90 2HD2 LEU 90 0.994 -2.648 2.657 671 H HIS 91 H HIS 91 -1.427 1.448 5.375 672 HA HIS 91 HA HIS 91 -4.111 2.757 5.256 673 HB2 HIS 91 1HB HIS 91 -3.116 2.419 7.506 674 HB3 HIS 91 2HB HIS 91 -1.731 3.401 7.023 675 HD1 HIS 91 HD1 HIS 91 -5.535 3.769 6.947 676 HD2 HIS 91 HD2 HIS 91 -2.125 6.048 7.686 677 HE1 HIS 91 HE1 HIS 91 -6.345 6.086 7.573 678 H VAL 92 H VAL 92 -4.348 4.221 3.748 679 HA VAL 92 HA VAL 92 -1.988 5.588 2.568 680 HB VAL 92 HB VAL 92 -4.896 5.494 1.689 681 HG11 VAL 92 1HG1 VAL 92 -3.859 6.399 -0.456 682 HG12 VAL 92 2HG1 VAL 92 -2.404 6.723 0.486 683 HG13 VAL 92 3HG1 VAL 92 -3.916 7.534 0.893 684 HG21 VAL 92 3HG2 VAL 92 -2.398 4.062 0.738 685 HG22 VAL 92 1HG2 VAL 92 -3.920 4.075 -0.152 686 HG23 VAL 92 2HG2 VAL 92 -3.835 3.323 1.441 687 H VAL 93 H VAL 93 -1.544 7.627 3.064 688 HA VAL 93 HA VAL 93 -3.622 9.262 4.486 689 HB VAL 93 HB VAL 93 -0.599 9.415 4.723 690 HG11 VAL 93 1HG1 VAL 93 -1.225 10.918 6.662 691 HG12 VAL 93 2HG1 VAL 93 -2.883 10.890 6.060 692 HG13 VAL 93 3HG1 VAL 93 -1.598 11.585 5.072 693 HG21 VAL 93 3HG2 VAL 93 -1.331 7.420 5.839 694 HG22 VAL 93 1HG2 VAL 93 -2.763 8.227 6.481 695 HG23 VAL 93 2HG2 VAL 93 -1.165 8.643 7.098 696 H ASP 94 H ASP 94 -4.304 10.962 3.442 697 HA ASP 94 HA ASP 94 -2.556 12.289 1.411 698 HB2 ASP 94 1HB ASP 94 -4.610 12.694 0.064 699 HB3 ASP 94 2HB ASP 94 -4.212 10.984 0.203 700 H SER 95 H SER 95 -2.049 14.133 2.394 701 HA SER 95 HA SER 95 -2.251 16.209 3.423 702 HB2 SER 95 1HB SER 95 -3.861 16.425 1.456 703 HB3 SER 95 2HB SER 95 -5.159 16.092 2.601 704 HG SER 95 HG SER 95 -4.960 18.050 3.326 Start of MODEL 4 1 H1 MET 1 1H MET 1 18.540 -16.246 -23.580 2 H2 MET 1 2H MET 1 17.190 -15.456 -22.918 3 H3 MET 1 3H MET 1 17.916 -14.860 -24.332 4 HA MET 1 HA MET 1 16.186 -15.937 -25.284 5 HB2 MET 1 1HB MET 1 18.302 -18.055 -24.834 6 HB3 MET 1 2HB MET 1 16.946 -18.254 -25.944 7 HG2 MET 1 1HG MET 1 17.652 -16.263 -27.196 8 HG3 MET 1 2HG MET 1 18.987 -16.014 -26.072 9 HE1 MET 1 3HE MET 1 20.994 -16.132 -27.733 10 HE2 MET 1 1HE MET 1 19.643 -15.925 -28.855 11 HE3 MET 1 2HE MET 1 20.900 -17.112 -29.194 12 H GLY 2 H GLY 2 14.801 -18.032 -25.286 13 HA2 GLY 2 1HA GLY 2 13.717 -18.337 -22.561 14 HA3 GLY 2 2HA GLY 2 12.978 -18.938 -24.046 15 H HIS 3 H HIS 3 15.383 -19.600 -21.591 16 HA HIS 3 HA HIS 3 16.028 -22.241 -22.733 17 HB2 HIS 3 1HB HIS 3 17.572 -22.429 -20.842 18 HB3 HIS 3 2HB HIS 3 17.769 -20.848 -21.597 19 HD1 HIS 3 HD1 HIS 3 16.437 -18.818 -20.358 20 HD2 HIS 3 HD2 HIS 3 16.949 -22.312 -18.139 21 HE1 HIS 3 HE1 HIS 3 16.043 -18.194 -17.933 22 H HIS 4 H HIS 4 13.729 -20.854 -20.621 23 HA HIS 4 HA HIS 4 13.294 -23.130 -18.890 24 HB2 HIS 4 1HB HIS 4 11.252 -21.973 -18.214 25 HB3 HIS 4 2HB HIS 4 12.582 -20.822 -18.315 26 HD1 HIS 4 HD1 HIS 4 12.680 -19.383 -20.619 27 HD2 HIS 4 HD2 HIS 4 9.075 -21.319 -19.813 28 HE1 HIS 4 HE1 HIS 4 10.935 -18.300 -22.104 29 H HIS 5 H HIS 5 12.230 -24.968 -19.317 30 HA HIS 5 HA HIS 5 10.885 -25.303 -21.928 31 HB2 HIS 5 1HB HIS 5 10.899 -27.689 -21.377 32 HB3 HIS 5 2HB HIS 5 12.501 -27.010 -21.093 33 HD1 HIS 5 HD1 HIS 5 12.031 -25.697 -18.332 34 HD2 HIS 5 HD2 HIS 5 10.774 -29.550 -19.310 35 HE1 HIS 5 HE1 HIS 5 11.778 -26.947 -16.144 36 H HIS 6 H HIS 6 9.903 -23.954 -19.232 37 HA HIS 6 HA HIS 6 7.841 -23.683 -18.148 38 HB2 HIS 6 1HB HIS 6 7.083 -23.167 -20.420 39 HB3 HIS 6 2HB HIS 6 6.852 -24.879 -20.756 40 HD1 HIS 6 HD1 HIS 6 5.539 -22.181 -18.419 41 HD2 HIS 6 HD2 HIS 6 4.379 -25.873 -19.969 42 HE1 HIS 6 HE1 HIS 6 3.147 -22.550 -17.675 43 H HIS 7 H HIS 7 6.572 -26.426 -19.895 44 HA HIS 7 HA HIS 7 5.539 -28.355 -19.015 45 HB2 HIS 7 1HB HIS 7 8.346 -28.415 -17.892 46 HB3 HIS 7 2HB HIS 7 7.221 -29.756 -17.683 47 HD1 HIS 7 HD1 HIS 7 9.341 -28.046 -20.234 48 HD2 HIS 7 HD2 HIS 7 6.529 -31.121 -20.117 49 HE1 HIS 7 HE1 HIS 7 9.507 -29.254 -22.454 50 H HIS 8 H HIS 8 7.525 -28.032 -16.145 51 HA HIS 8 HA HIS 8 5.141 -28.155 -14.466 52 HB2 HIS 8 1HB HIS 8 7.076 -29.385 -13.744 53 HB3 HIS 8 2HB HIS 8 8.091 -27.948 -13.835 54 HD1 HIS 8 HD1 HIS 8 7.855 -26.188 -11.933 55 HD2 HIS 8 HD2 HIS 8 5.397 -29.520 -11.449 56 HE1 HIS 8 HE1 HIS 8 6.960 -26.082 -9.565 57 H SER 9 H SER 9 4.050 -26.464 -13.738 58 HA SER 9 HA SER 9 4.885 -23.743 -14.266 59 HB2 SER 9 1HB SER 9 2.528 -24.348 -14.314 60 HB3 SER 9 2HB SER 9 2.599 -24.873 -12.634 61 HG SER 9 HG SER 9 2.798 -22.274 -13.718 62 H HIS 10 H HIS 10 5.592 -22.190 -12.811 63 HA HIS 10 HA HIS 10 5.845 -22.834 -9.955 64 HB2 HIS 10 1HB HIS 10 8.316 -22.426 -9.958 65 HB3 HIS 10 2HB HIS 10 7.851 -23.908 -10.792 66 HD1 HIS 10 HD1 HIS 10 8.058 -23.944 -13.388 67 HD2 HIS 10 HD2 HIS 10 9.375 -20.394 -11.645 68 HE1 HIS 10 HE1 HIS 10 9.335 -22.695 -15.184 69 H GLY 11 H GLY 11 5.484 -21.010 -8.856 70 HA2 GLY 11 1HA GLY 11 5.506 -18.731 -8.274 71 HA3 GLY 11 2HA GLY 11 6.594 -18.432 -9.631 72 H LYS 12 H LYS 12 3.756 -20.164 -10.403 73 HA LYS 12 HA LYS 12 2.838 -18.105 -12.198 74 HB2 LYS 12 1HB LYS 12 2.497 -20.544 -12.556 75 HB3 LYS 12 2HB LYS 12 1.351 -20.546 -11.218 76 HG2 LYS 12 1HG LYS 12 -0.110 -19.003 -12.384 77 HG3 LYS 12 2HG LYS 12 1.080 -18.783 -13.666 78 HD2 LYS 12 1HD LYS 12 -0.517 -20.336 -14.534 79 HD3 LYS 12 2HD LYS 12 0.893 -21.297 -14.092 80 HE2 LYS 12 1HE LYS 12 -0.152 -22.081 -12.088 81 HE3 LYS 12 2HE LYS 12 -1.449 -20.891 -12.214 82 HZ1 LYS 12 3HZ LYS 12 -0.969 -23.260 -13.919 83 HZ2 LYS 12 1HZ LYS 12 -2.015 -22.007 -14.382 84 HZ3 LYS 12 2HZ LYS 12 -2.336 -22.904 -12.975 85 H SER 13 H SER 13 1.340 -16.557 -11.925 86 HA SER 13 HA SER 13 -0.312 -15.242 -10.941 87 HB2 SER 13 1HB SER 13 -1.304 -17.631 -10.487 88 HB3 SER 13 2HB SER 13 -0.823 -17.312 -8.820 89 HG SER 13 HG SER 13 -2.214 -15.366 -10.300 90 H ASP 14 H ASP 14 1.490 -13.892 -10.308 91 HA ASP 14 HA ASP 14 2.416 -14.161 -7.495 92 HB2 ASP 14 1HB ASP 14 4.021 -12.386 -8.088 93 HB3 ASP 14 2HB ASP 14 4.113 -13.720 -9.235 94 H PHE 15 H PHE 15 -0.063 -13.650 -7.152 95 HA PHE 15 HA PHE 15 -0.308 -10.688 -6.729 96 HB2 PHE 15 1HB PHE 15 -2.443 -12.646 -7.614 97 HB3 PHE 15 2HB PHE 15 -2.772 -10.996 -7.090 98 HD1 PHE 15 HD1 PHE 15 -1.158 -13.077 -9.685 99 HD2 PHE 15 HD2 PHE 15 -2.208 -9.096 -8.464 100 HE1 PHE 15 HE1 PHE 15 -0.627 -12.240 -11.958 101 HE2 PHE 15 HE2 PHE 15 -1.675 -8.256 -10.735 102 HZ PHE 15 HZ PHE 15 -0.884 -9.830 -12.483 103 H ILE 16 H ILE 16 -1.257 -10.076 -4.792 104 HA ILE 16 HA ILE 16 -2.015 -12.245 -2.875 105 HB ILE 16 HB ILE 16 -0.833 -11.023 -1.084 106 HG12 ILE 16 1HG1 ILE 16 0.318 -9.333 -3.336 107 HG13 ILE 16 2HG1 ILE 16 -0.913 -8.766 -2.210 108 HG21 ILE 16 1HG2 ILE 16 0.815 -11.809 -3.502 109 HG22 ILE 16 2HG2 ILE 16 0.316 -12.854 -2.172 110 HG23 ILE 16 3HG2 ILE 16 1.486 -11.567 -1.889 111 HD11 ILE 16 3HD1 ILE 16 0.718 -9.446 -0.340 112 HD12 ILE 16 1HD1 ILE 16 1.142 -8.017 -1.283 113 HD13 ILE 16 2HD1 ILE 16 1.938 -9.557 -1.607 114 H LYS 17 H LYS 17 -3.387 -11.476 -1.125 115 HA LYS 17 HA LYS 17 -5.086 -9.179 -1.996 116 HB2 LYS 17 1HB LYS 17 -6.785 -10.229 -0.447 117 HB3 LYS 17 2HB LYS 17 -6.363 -11.186 -1.865 118 HG2 LYS 17 1HG LYS 17 -4.735 -12.469 -0.469 119 HG3 LYS 17 2HG LYS 17 -5.285 -11.565 0.945 120 HD2 LYS 17 1HD LYS 17 -7.572 -12.399 0.617 121 HD3 LYS 17 2HD LYS 17 -7.063 -13.262 -0.835 122 HE2 LYS 17 1HE LYS 17 -7.121 -14.838 1.005 123 HE3 LYS 17 2HE LYS 17 -5.438 -14.549 0.570 124 HZ1 LYS 17 3HZ LYS 17 -5.822 -14.475 2.977 125 HZ2 LYS 17 1HZ LYS 17 -6.881 -13.168 2.765 126 HZ3 LYS 17 2HZ LYS 17 -5.236 -12.999 2.375 127 H VAL 18 H VAL 18 -5.083 -7.383 -0.831 128 HA VAL 18 HA VAL 18 -4.309 -7.480 2.050 129 HB VAL 18 HB VAL 18 -2.991 -5.404 1.732 130 HG11 VAL 18 1HG1 VAL 18 -1.046 -6.487 0.912 131 HG12 VAL 18 2HG1 VAL 18 -1.980 -7.535 -0.155 132 HG13 VAL 18 3HG1 VAL 18 -2.030 -7.783 1.590 133 HG21 VAL 18 3HG2 VAL 18 -4.074 -4.562 -0.297 134 HG22 VAL 18 1HG2 VAL 18 -3.510 -5.963 -1.208 135 HG23 VAL 18 2HG2 VAL 18 -2.351 -4.781 -0.598 136 H ASN 19 H ASN 19 -5.012 -5.515 3.203 137 HA ASN 19 HA ASN 19 -7.614 -4.543 2.125 138 HB2 ASN 19 1HB ASN 19 -6.398 -4.574 4.895 139 HB3 ASN 19 2HB ASN 19 -7.900 -3.728 4.521 140 HD21 ASN 19 2HD2 ASN 19 -7.840 -5.968 6.332 141 HD22 ASN 19 1HD2 ASN 19 -8.697 -7.244 5.615 142 H VAL 20 H VAL 20 -7.968 -2.390 1.748 143 HA VAL 20 HA VAL 20 -5.705 -0.490 2.268 144 HB VAL 20 HB VAL 20 -7.432 -0.800 -0.195 145 HG11 VAL 20 1HG1 VAL 20 -5.696 1.497 0.729 146 HG12 VAL 20 2HG1 VAL 20 -7.359 1.554 0.150 147 HG13 VAL 20 3HG1 VAL 20 -6.045 1.226 -0.979 148 HG21 VAL 20 3HG2 VAL 20 -5.329 -1.158 -1.312 149 HG22 VAL 20 1HG2 VAL 20 -5.322 -2.182 0.125 150 HG23 VAL 20 2HG2 VAL 20 -4.421 -0.665 0.119 151 H SER 21 H SER 21 -6.265 1.349 3.247 152 HA SER 21 HA SER 21 -9.074 2.302 3.186 153 HB2 SER 21 1HB SER 21 -8.989 2.599 5.700 154 HB3 SER 21 2HB SER 21 -9.119 0.926 5.162 155 HG SER 21 HG SER 21 -7.136 0.554 5.835 156 H ASN 22 H ASN 22 -9.213 4.523 4.094 157 HA ASN 22 HA ASN 22 -6.591 5.974 4.056 158 HB2 ASN 22 1HB ASN 22 -7.559 6.350 1.893 159 HB3 ASN 22 2HB ASN 22 -9.145 6.672 2.591 160 HD21 ASN 22 2HD2 ASN 22 -9.471 8.885 2.170 161 HD22 ASN 22 1HD2 ASN 22 -8.373 10.105 2.597 162 H SER 23 H SER 23 -6.557 7.918 5.235 163 HA SER 23 HA SER 23 -8.031 7.878 7.703 164 HB2 SER 23 1HB SER 23 -6.604 10.309 6.635 165 HB3 SER 23 2HB SER 23 -6.721 9.746 8.301 166 HG SER 23 HG SER 23 -4.868 8.843 7.879 167 H HIS 24 H HIS 24 -8.769 9.093 4.595 168 HA HIS 24 HA HIS 24 -11.093 10.617 5.726 169 HB2 HIS 24 1HB HIS 24 -9.296 11.410 3.426 170 HB3 HIS 24 2HB HIS 24 -10.844 12.179 3.772 171 HD1 HIS 24 HD1 HIS 24 -7.411 11.660 5.278 172 HD2 HIS 24 HD2 HIS 24 -10.810 13.987 5.915 173 HE1 HIS 24 HE1 HIS 24 -6.788 13.372 7.039 174 H ASN 25 H ASN 25 -12.823 10.905 4.080 175 HA ASN 25 HA ASN 25 -14.406 9.967 2.659 176 HB2 ASN 25 1HB ASN 25 -11.889 8.987 1.282 177 HB3 ASN 25 2HB ASN 25 -13.510 8.810 0.612 178 HD21 ASN 25 2HD2 ASN 25 -11.345 10.450 -0.531 179 HD22 ASN 25 1HD2 ASN 25 -11.906 12.051 -0.539 180 H ASP 26 H ASP 26 -15.559 8.033 2.270 181 HA ASP 26 HA ASP 26 -14.853 5.843 4.117 182 HB2 ASP 26 1HB ASP 26 -17.191 6.803 3.924 183 HB3 ASP 26 2HB ASP 26 -17.269 6.110 2.304 184 H ALA 27 H ALA 27 -13.853 6.587 1.137 185 HA ALA 27 HA ALA 27 -14.401 4.290 -0.464 186 HB1 ALA 27 3HB ALA 27 -12.525 4.998 -1.827 187 HB2 ALA 27 1HB ALA 27 -11.871 5.955 -0.497 188 HB3 ALA 27 2HB ALA 27 -13.375 6.441 -1.273 189 H VAL 28 H VAL 28 -14.048 2.284 0.341 190 HA VAL 28 HA VAL 28 -11.300 1.643 1.348 191 HB VAL 28 HB VAL 28 -13.961 0.770 2.499 192 HG11 VAL 28 1HG1 VAL 28 -12.420 -0.542 4.090 193 HG12 VAL 28 2HG1 VAL 28 -11.167 -0.333 2.867 194 HG13 VAL 28 3HG1 VAL 28 -12.642 -1.215 2.475 195 HG21 VAL 28 3HG2 VAL 28 -13.174 1.840 4.500 196 HG22 VAL 28 1HG2 VAL 28 -12.873 2.974 3.185 197 HG23 VAL 28 2HG2 VAL 28 -11.547 2.015 3.841 198 H ALA 29 H ALA 29 -10.413 -0.104 0.394 199 HA ALA 29 HA ALA 29 -12.136 -1.735 -1.447 200 HB1 ALA 29 3HB ALA 29 -10.108 -0.321 -2.290 201 HB2 ALA 29 1HB ALA 29 -10.285 -1.979 -2.869 202 HB3 ALA 29 2HB ALA 29 -9.130 -1.608 -1.587 203 H PHE 30 H PHE 30 -12.247 -3.911 -1.109 204 HA PHE 30 HA PHE 30 -10.684 -5.033 1.188 205 HB2 PHE 30 1HB PHE 30 -13.300 -5.931 -0.042 206 HB3 PHE 30 2HB PHE 30 -12.487 -6.728 1.303 207 HD1 PHE 30 HD1 PHE 30 -12.143 -5.483 3.463 208 HD2 PHE 30 HD2 PHE 30 -14.593 -3.944 0.289 209 HE1 PHE 30 HE1 PHE 30 -13.210 -3.906 5.052 210 HE2 PHE 30 HE2 PHE 30 -15.659 -2.366 1.877 211 HZ PHE 30 HZ PHE 30 -14.967 -2.347 4.259 212 H GLU 31 H GLU 31 -9.576 -6.910 0.959 213 HA GLU 31 HA GLU 31 -8.084 -8.281 -0.250 214 HB2 GLU 31 1HB GLU 31 -10.850 -9.158 -1.115 215 HB3 GLU 31 2HB GLU 31 -9.388 -10.105 -1.403 216 HG2 GLU 31 1HG GLU 31 -8.932 -10.196 1.000 217 HG3 GLU 31 2HG GLU 31 -10.331 -9.173 1.326 218 H VAL 32 H VAL 32 -7.484 -6.225 -1.568 219 HA VAL 32 HA VAL 32 -8.389 -6.361 -4.387 220 HB VAL 32 HB VAL 32 -8.125 -4.152 -3.295 221 HG11 VAL 32 1HG1 VAL 32 -6.116 -4.934 -1.900 222 HG12 VAL 32 2HG1 VAL 32 -6.015 -3.317 -2.596 223 HG13 VAL 32 3HG1 VAL 32 -5.147 -4.656 -3.347 224 HG21 VAL 32 3HG2 VAL 32 -7.013 -3.102 -5.139 225 HG22 VAL 32 1HG2 VAL 32 -7.775 -4.560 -5.777 226 HG23 VAL 32 2HG2 VAL 32 -6.041 -4.540 -5.452 227 H LYS 33 H LYS 33 -7.267 -7.423 -5.919 228 HA LYS 33 HA LYS 33 -4.822 -8.844 -5.172 229 HB2 LYS 33 1HB LYS 33 -6.427 -8.721 -7.731 230 HB3 LYS 33 2HB LYS 33 -4.984 -9.716 -7.543 231 HG2 LYS 33 1HG LYS 33 -6.085 -10.791 -5.543 232 HG3 LYS 33 2HG LYS 33 -7.559 -9.912 -5.950 233 HD2 LYS 33 1HD LYS 33 -6.123 -11.791 -7.852 234 HD3 LYS 33 2HD LYS 33 -7.497 -12.264 -6.853 235 HE2 LYS 33 1HE LYS 33 -8.732 -10.269 -7.938 236 HE3 LYS 33 2HE LYS 33 -7.427 -10.276 -9.124 237 HZ1 LYS 33 3HZ LYS 33 -9.087 -12.642 -8.456 238 HZ2 LYS 33 1HZ LYS 33 -7.930 -12.525 -9.691 239 HZ3 LYS 33 2HZ LYS 33 -9.364 -11.620 -9.785 240 H LEU 34 H LEU 34 -2.858 -7.984 -5.358 241 HA LEU 34 HA LEU 34 -2.285 -6.063 -7.582 242 HB2 LEU 34 1HB LEU 34 -1.424 -5.808 -4.688 243 HB3 LEU 34 2HB LEU 34 -0.871 -4.766 -6.000 244 HG LEU 34 HG LEU 34 -3.782 -5.129 -5.226 245 HD11 LEU 34 1HD1 LEU 34 -2.709 -4.027 -3.388 246 HD12 LEU 34 2HD1 LEU 34 -3.502 -2.767 -4.333 247 HD13 LEU 34 3HD1 LEU 34 -1.760 -3.007 -4.471 248 HD21 LEU 34 3HD2 LEU 34 -3.800 -4.365 -7.448 249 HD22 LEU 34 1HD2 LEU 34 -2.312 -3.438 -7.249 250 HD23 LEU 34 2HD2 LEU 34 -3.823 -2.849 -6.556 251 H ALA 35 H ALA 35 -0.426 -6.473 -8.637 252 HA ALA 35 HA ALA 35 0.985 -8.934 -8.171 253 HB1 ALA 35 3HB ALA 35 2.642 -7.588 -9.866 254 HB2 ALA 35 1HB ALA 35 1.160 -6.653 -10.072 255 HB3 ALA 35 2HB ALA 35 1.159 -8.382 -10.402 256 H LYS 36 H LYS 36 2.901 -9.321 -7.183 257 HA LYS 36 HA LYS 36 3.863 -7.402 -5.220 258 HB2 LYS 36 1HB LYS 36 4.909 -10.095 -6.129 259 HB3 LYS 36 2HB LYS 36 5.566 -9.182 -4.770 260 HG2 LYS 36 1HG LYS 36 3.399 -9.255 -3.634 261 HG3 LYS 36 2HG LYS 36 2.678 -10.075 -5.019 262 HD2 LYS 36 1HD LYS 36 3.154 -11.837 -3.515 263 HD3 LYS 36 2HD LYS 36 4.498 -11.882 -4.653 264 HE2 LYS 36 1HE LYS 36 5.941 -10.720 -3.102 265 HE3 LYS 36 2HE LYS 36 4.593 -10.398 -2.011 266 HZ1 LYS 36 3HZ LYS 36 5.897 -12.258 -1.239 267 HZ2 LYS 36 1HZ LYS 36 5.675 -13.070 -2.711 268 HZ3 LYS 36 2HZ LYS 36 4.346 -12.784 -1.692 269 H ASP 37 H ASP 37 4.516 -7.930 -8.516 270 HA ASP 37 HA ASP 37 7.321 -7.040 -8.411 271 HB2 ASP 37 1HB ASP 37 5.414 -7.590 -10.703 272 HB3 ASP 37 2HB ASP 37 7.088 -7.083 -10.931 273 H LEU 38 H LEU 38 4.419 -5.481 -8.057 274 HA LEU 38 HA LEU 38 4.878 -3.164 -9.761 275 HB2 LEU 38 1HB LEU 38 3.112 -3.457 -7.317 276 HB3 LEU 38 2HB LEU 38 3.050 -2.123 -8.467 277 HG LEU 38 HG LEU 38 2.565 -5.038 -9.144 278 HD11 LEU 38 1HD1 LEU 38 0.206 -4.139 -9.560 279 HD12 LEU 38 2HD1 LEU 38 0.702 -2.700 -8.672 280 HD13 LEU 38 3HD1 LEU 38 0.694 -4.272 -7.871 281 HD21 LEU 38 3HD2 LEU 38 2.702 -2.500 -10.766 282 HD22 LEU 38 1HD2 LEU 38 1.592 -3.780 -11.267 283 HD23 LEU 38 2HD2 LEU 38 3.320 -4.107 -11.155 284 H THR 39 H THR 39 5.797 -1.216 -9.234 285 HA THR 39 HA THR 39 7.654 -1.233 -6.969 286 HB THR 39 HB THR 39 8.204 1.096 -7.918 287 HG1 THR 39 HG1 THR 39 6.355 0.094 -9.806 288 HG21 THR 39 3HG2 THR 39 9.666 -0.705 -8.434 289 HG22 THR 39 1HG2 THR 39 9.268 0.027 -9.988 290 HG23 THR 39 2HG2 THR 39 8.478 -1.470 -9.488 291 H VAL 40 H VAL 40 7.776 0.677 -5.527 292 HA VAL 40 HA VAL 40 5.298 1.106 -4.153 293 HB VAL 40 HB VAL 40 7.969 2.517 -3.995 294 HG11 VAL 40 1HG1 VAL 40 5.465 2.792 -2.323 295 HG12 VAL 40 2HG1 VAL 40 6.387 4.070 -3.116 296 HG13 VAL 40 3HG1 VAL 40 7.059 3.239 -1.712 297 HG21 VAL 40 3HG2 VAL 40 8.396 1.103 -2.124 298 HG22 VAL 40 1HG2 VAL 40 7.732 0.041 -3.366 299 HG23 VAL 40 2HG2 VAL 40 6.712 0.588 -2.036 300 H ALA 41 H ALA 41 7.197 3.176 -6.339 301 HA ALA 41 HA ALA 41 5.553 5.502 -6.121 302 HB1 ALA 41 3HB ALA 41 7.795 5.506 -7.177 303 HB2 ALA 41 1HB ALA 41 6.577 6.170 -8.269 304 HB3 ALA 41 2HB ALA 41 7.164 4.523 -8.496 305 H GLN 42 H GLN 42 5.371 2.680 -8.239 306 HA GLN 42 HA GLN 42 3.204 3.635 -9.873 307 HB2 GLN 42 1HB GLN 42 4.558 1.032 -9.343 308 HB3 GLN 42 2HB GLN 42 2.924 0.921 -9.987 309 HG2 GLN 42 1HG GLN 42 4.756 0.967 -11.735 310 HG3 GLN 42 2HG GLN 42 3.522 2.211 -11.928 311 HE21 GLN 42 2HE2 GLN 42 6.092 2.358 -9.457 312 HE22 GLN 42 1HE2 GLN 42 6.881 3.703 -10.130 313 H LEU 43 H LEU 43 3.365 1.909 -6.814 314 HA LEU 43 HA LEU 43 0.595 1.235 -6.635 315 HB2 LEU 43 1HB LEU 43 2.331 0.257 -5.157 316 HB3 LEU 43 2HB LEU 43 2.562 1.834 -4.406 317 HG LEU 43 HG LEU 43 0.212 1.821 -3.637 318 HD11 LEU 43 1HD1 LEU 43 0.170 -0.747 -5.212 319 HD12 LEU 43 2HD1 LEU 43 -1.025 0.549 -5.161 320 HD13 LEU 43 3HD1 LEU 43 -0.888 -0.574 -3.811 321 HD21 LEU 43 3HD2 LEU 43 1.486 -0.810 -2.860 322 HD22 LEU 43 1HD2 LEU 43 0.523 0.275 -1.857 323 HD23 LEU 43 2HD2 LEU 43 2.156 0.736 -2.337 324 H LYS 44 H LYS 44 2.433 4.092 -5.682 325 HA LYS 44 HA LYS 44 0.343 5.462 -4.296 326 HB2 LYS 44 1HB LYS 44 2.738 6.484 -5.841 327 HB3 LYS 44 2HB LYS 44 1.683 7.531 -4.892 328 HG2 LYS 44 1HG LYS 44 2.177 6.171 -2.876 329 HG3 LYS 44 2HG LYS 44 3.262 5.166 -3.836 330 HD2 LYS 44 1HD LYS 44 4.677 7.110 -4.323 331 HD3 LYS 44 2HD LYS 44 3.574 8.157 -3.429 332 HE2 LYS 44 1HE LYS 44 4.017 6.868 -1.370 333 HE3 LYS 44 2HE LYS 44 5.125 5.826 -2.261 334 HZ1 LYS 44 3HZ LYS 44 6.239 7.637 -1.036 335 HZ2 LYS 44 1HZ LYS 44 5.431 8.767 -2.009 336 HZ3 LYS 44 2HZ LYS 44 6.537 7.684 -2.708 337 H THR 45 H THR 45 1.297 5.463 -7.724 338 HA THR 45 HA THR 45 -0.514 7.461 -8.618 339 HB THR 45 HB THR 45 -0.214 6.439 -10.833 340 HG1 THR 45 HG1 THR 45 0.536 4.438 -11.055 341 HG21 THR 45 3HG2 THR 45 1.634 7.777 -10.167 342 HG22 THR 45 1HG2 THR 45 2.337 6.282 -10.788 343 HG23 THR 45 2HG2 THR 45 2.216 6.543 -9.048 344 H LYS 46 H LYS 46 -0.921 3.932 -8.327 345 HA LYS 46 HA LYS 46 -3.585 3.838 -9.386 346 HB2 LYS 46 1HB LYS 46 -2.146 2.033 -7.423 347 HB3 LYS 46 2HB LYS 46 -3.720 1.657 -8.125 348 HG2 LYS 46 1HG LYS 46 -2.746 1.764 -10.385 349 HG3 LYS 46 2HG LYS 46 -1.172 2.160 -9.694 350 HD2 LYS 46 1HD LYS 46 -1.137 0.005 -8.505 351 HD3 LYS 46 2HD LYS 46 -2.724 -0.394 -9.165 352 HE2 LYS 46 1HE LYS 46 -1.808 -0.281 -11.451 353 HE3 LYS 46 2HE LYS 46 -0.221 0.125 -10.798 354 HZ1 LYS 46 3HZ LYS 46 0.183 -2.004 -10.408 355 HZ2 LYS 46 1HZ LYS 46 -1.248 -2.397 -11.227 356 HZ3 LYS 46 2HZ LYS 46 -1.265 -2.192 -9.541 357 H LEU 47 H LEU 47 -2.359 4.142 -6.066 358 HA LEU 47 HA LEU 47 -4.953 4.228 -4.815 359 HB2 LEU 47 1HB LEU 47 -2.257 5.290 -3.932 360 HB3 LEU 47 2HB LEU 47 -3.685 5.274 -2.898 361 HG LEU 47 HG LEU 47 -2.551 2.795 -4.226 362 HD11 LEU 47 1HD1 LEU 47 -0.894 3.719 -2.669 363 HD12 LEU 47 2HD1 LEU 47 -1.605 2.250 -2.002 364 HD13 LEU 47 3HD1 LEU 47 -2.120 3.827 -1.406 365 HD21 LEU 47 3HD2 LEU 47 -3.890 1.788 -2.191 366 HD22 LEU 47 1HD2 LEU 47 -4.772 2.286 -3.632 367 HD23 LEU 47 2HD2 LEU 47 -4.738 3.334 -2.215 368 H GLU 48 H GLU 48 -2.795 6.693 -6.116 369 HA GLU 48 HA GLU 48 -4.073 9.020 -5.193 370 HB2 GLU 48 1HB GLU 48 -1.975 8.992 -6.548 371 HB3 GLU 48 2HB GLU 48 -2.934 8.574 -7.968 372 HG2 GLU 48 1HG GLU 48 -4.211 10.666 -7.738 373 HG3 GLU 48 2HG GLU 48 -3.280 11.082 -6.300 374 H ILE 49 H ILE 49 -4.874 7.011 -8.018 375 HA ILE 49 HA ILE 49 -7.102 8.630 -8.882 376 HB ILE 49 HB ILE 49 -6.684 5.655 -9.277 377 HG12 ILE 49 1HG1 ILE 49 -5.855 7.912 -11.118 378 HG13 ILE 49 2HG1 ILE 49 -4.746 7.138 -9.986 379 HG21 ILE 49 1HG2 ILE 49 -8.000 6.154 -11.388 380 HG22 ILE 49 2HG2 ILE 49 -8.353 7.739 -10.701 381 HG23 ILE 49 3HG2 ILE 49 -8.918 6.280 -9.888 382 HD11 ILE 49 3HD1 ILE 49 -4.483 6.043 -12.123 383 HD12 ILE 49 1HD1 ILE 49 -6.226 5.828 -12.285 384 HD13 ILE 49 2HD1 ILE 49 -5.337 4.925 -11.059 385 H LEU 50 H LEU 50 -6.848 5.756 -6.825 386 HA LEU 50 HA LEU 50 -9.642 5.433 -6.344 387 HB2 LEU 50 1HB LEU 50 -8.016 3.666 -5.839 388 HB3 LEU 50 2HB LEU 50 -7.269 4.687 -4.612 389 HG LEU 50 HG LEU 50 -9.333 4.667 -3.286 390 HD11 LEU 50 1HD1 LEU 50 -11.104 2.905 -4.154 391 HD12 LEU 50 2HD1 LEU 50 -10.401 3.275 -5.730 392 HD13 LEU 50 3HD1 LEU 50 -11.130 4.558 -4.766 393 HD21 LEU 50 3HD2 LEU 50 -8.446 1.913 -4.202 394 HD22 LEU 50 1HD2 LEU 50 -9.396 2.229 -2.750 395 HD23 LEU 50 2HD2 LEU 50 -7.753 2.855 -2.881 396 H THR 51 H THR 51 -7.160 7.248 -4.545 397 HA THR 51 HA THR 51 -9.233 8.236 -2.658 398 HB THR 51 HB THR 51 -7.300 9.251 -1.473 399 HG1 THR 51 HG1 THR 51 -5.277 9.021 -2.300 400 HG21 THR 51 3HG2 THR 51 -6.588 6.408 -2.197 401 HG22 THR 51 1HG2 THR 51 -8.009 6.785 -1.223 402 HG23 THR 51 2HG2 THR 51 -6.400 7.220 -0.642 403 H GLY 52 H GLY 52 -7.639 9.169 -5.535 404 HA2 GLY 52 1HA GLY 52 -7.855 11.112 -6.842 405 HA3 GLY 52 2HA GLY 52 -9.142 11.622 -5.750 406 H GLY 53 H GLY 53 -6.064 10.835 -4.393 407 HA2 GLY 53 1HA GLY 53 -5.732 13.653 -3.541 408 HA3 GLY 53 2HA GLY 53 -4.854 12.266 -2.902 409 H CYS 54 H CYS 54 -2.778 13.019 -3.205 410 HA CYS 54 HA CYS 54 -1.867 13.301 -6.039 411 HB2 CYS 54 1HB CYS 54 -1.529 15.217 -3.762 412 HB3 CYS 54 2HB CYS 54 -0.201 15.055 -4.911 413 HG CYS 54 HG CYS 54 -3.029 16.158 -5.575 414 H ALA 55 H ALA 55 -0.514 11.644 -6.338 415 HA ALA 55 HA ALA 55 0.673 9.976 -4.435 416 HB1 ALA 55 3HB ALA 55 1.770 10.790 -7.137 417 HB2 ALA 55 1HB ALA 55 0.648 9.467 -6.836 418 HB3 ALA 55 2HB ALA 55 2.298 9.380 -6.217 419 H GLY 56 H GLY 56 1.647 13.164 -5.418 420 HA2 GLY 56 1HA GLY 56 4.336 12.946 -4.257 421 HA3 GLY 56 2HA GLY 56 3.610 14.407 -4.927 422 H THR 57 H THR 57 1.442 12.983 -2.798 423 HA THR 57 HA THR 57 2.463 14.558 -0.455 424 HB THR 57 HB THR 57 0.132 15.312 -0.043 425 HG1 THR 57 HG1 THR 57 -1.235 14.054 -1.047 426 HG21 THR 57 3HG2 THR 57 1.221 15.990 -2.790 427 HG22 THR 57 1HG2 THR 57 1.657 16.784 -1.276 428 HG23 THR 57 2HG2 THR 57 0.018 16.936 -1.911 429 H MET 58 H MET 58 -0.018 12.212 -1.505 430 HA MET 58 HA MET 58 -0.733 11.221 1.016 431 HB2 MET 58 1HB MET 58 -1.186 9.019 -0.239 432 HB3 MET 58 2HB MET 58 -2.028 10.464 -0.791 433 HG2 MET 58 1HG MET 58 -0.828 10.584 -2.756 434 HG3 MET 58 2HG MET 58 0.629 9.887 -2.049 435 HE1 MET 58 3HE MET 58 -3.093 8.379 -1.813 436 HE2 MET 58 1HE MET 58 -3.156 7.724 -3.455 437 HE3 MET 58 2HE MET 58 -2.906 9.450 -3.199 438 H LYS 59 H LYS 59 0.009 9.632 2.379 439 HA LYS 59 HA LYS 59 2.839 8.730 1.938 440 HB2 LYS 59 1HB LYS 59 1.244 9.021 4.499 441 HB3 LYS 59 2HB LYS 59 2.925 8.494 4.395 442 HG2 LYS 59 1HG LYS 59 3.541 10.645 3.357 443 HG3 LYS 59 2HG LYS 59 1.862 11.179 3.461 444 HD2 LYS 59 1HD LYS 59 1.965 10.901 5.938 445 HD3 LYS 59 2HD LYS 59 3.671 10.478 5.793 446 HE2 LYS 59 1HE LYS 59 4.136 12.670 4.768 447 HE3 LYS 59 2HE LYS 59 2.429 13.092 4.893 448 HZ1 LYS 59 3HZ LYS 59 3.387 14.039 6.768 449 HZ2 LYS 59 1HZ LYS 59 4.393 12.707 7.064 450 HZ3 LYS 59 2HZ LYS 59 2.724 12.592 7.361 451 H VAL 60 H VAL 60 3.347 6.544 2.341 452 HA VAL 60 HA VAL 60 0.995 4.682 2.447 453 HB VAL 60 HB VAL 60 3.661 4.453 1.028 454 HG11 VAL 60 1HG1 VAL 60 3.269 2.268 1.882 455 HG12 VAL 60 2HG1 VAL 60 2.625 2.228 0.240 456 HG13 VAL 60 3HG1 VAL 60 1.530 2.388 1.614 457 HG21 VAL 60 3HG2 VAL 60 1.817 5.770 -0.050 458 HG22 VAL 60 1HG2 VAL 60 0.805 4.326 0.008 459 HG23 VAL 60 2HG2 VAL 60 2.274 4.336 -0.971 460 H GLN 61 H GLN 61 0.948 3.347 4.158 461 HA GLN 61 HA GLN 61 3.499 2.665 5.561 462 HB2 GLN 61 1HB GLN 61 0.967 3.724 6.837 463 HB3 GLN 61 2HB GLN 61 2.273 2.957 7.742 464 HG2 GLN 61 1HG GLN 61 3.857 4.646 6.939 465 HG3 GLN 61 2HG GLN 61 2.593 5.394 5.965 466 HE21 GLN 61 2HE2 GLN 61 3.474 7.248 7.566 467 HE22 GLN 61 1HE2 GLN 61 2.572 7.431 8.992 468 H VAL 62 H VAL 62 3.505 0.615 6.467 469 HA VAL 62 HA VAL 62 1.235 -1.154 5.667 470 HB VAL 62 HB VAL 62 4.060 -1.877 6.492 471 HG11 VAL 62 1HG1 VAL 62 2.423 -3.672 6.873 472 HG12 VAL 62 2HG1 VAL 62 3.455 -4.074 5.501 473 HG13 VAL 62 3HG1 VAL 62 1.816 -3.483 5.228 474 HG21 VAL 62 3HG2 VAL 62 4.408 -2.275 4.075 475 HG22 VAL 62 1HG2 VAL 62 3.994 -0.589 4.383 476 HG23 VAL 62 2HG2 VAL 62 2.776 -1.693 3.746 477 H PHE 63 H PHE 63 0.014 -2.104 7.196 478 HA PHE 63 HA PHE 63 0.942 -2.038 10.042 479 HB2 PHE 63 1HB PHE 63 -1.728 -1.320 8.849 480 HB3 PHE 63 2HB PHE 63 -1.610 -1.847 10.527 481 HD1 PHE 63 HD1 PHE 63 -0.294 -0.561 12.163 482 HD2 PHE 63 HD2 PHE 63 -0.872 0.833 8.141 483 HE1 PHE 63 HE1 PHE 63 0.446 1.706 12.841 484 HE2 PHE 63 HE2 PHE 63 -0.128 3.100 8.819 485 HZ PHE 63 HZ PHE 63 0.531 3.535 11.171 486 H LYS 64 H LYS 64 0.401 -3.787 11.305 487 HA LYS 64 HA LYS 64 -1.076 -6.041 10.066 488 HB2 LYS 64 1HB LYS 64 1.344 -6.375 9.556 489 HB3 LYS 64 2HB LYS 64 1.685 -6.344 11.286 490 HG2 LYS 64 1HG LYS 64 0.259 -8.296 11.636 491 HG3 LYS 64 2HG LYS 64 -0.200 -8.296 9.933 492 HD2 LYS 64 1HD LYS 64 2.166 -8.665 9.302 493 HD3 LYS 64 2HD LYS 64 2.605 -8.706 11.009 494 HE2 LYS 64 1HE LYS 64 0.600 -10.581 9.730 495 HE3 LYS 64 2HE LYS 64 2.295 -10.983 10.003 496 HZ1 LYS 64 3HZ LYS 64 2.019 -11.029 12.261 497 HZ2 LYS 64 1HZ LYS 64 0.499 -11.596 11.764 498 HZ3 LYS 64 2HZ LYS 64 0.686 -9.977 12.245 499 H GLY 65 H GLY 65 -2.633 -5.315 11.667 500 HA2 GLY 65 1HA GLY 65 -3.733 -6.017 13.659 501 HA3 GLY 65 2HA GLY 65 -2.201 -6.633 14.271 502 H ASP 66 H ASP 66 -1.704 -5.566 16.083 503 HA ASP 66 HA ASP 66 -2.433 -2.698 16.394 504 HB2 ASP 66 1HB ASP 66 -1.446 -4.806 18.337 505 HB3 ASP 66 2HB ASP 66 -1.725 -3.123 18.786 506 H THR 67 H THR 67 0.070 -4.337 15.100 507 HA THR 67 HA THR 67 2.111 -2.376 16.107 508 HB THR 67 HB THR 67 2.532 -5.255 15.272 509 HG1 THR 67 HG1 THR 67 3.136 -5.430 17.480 510 HG21 THR 67 3HG2 THR 67 4.878 -4.733 16.138 511 HG22 THR 67 1HG2 THR 67 4.424 -3.030 16.048 512 HG23 THR 67 2HG2 THR 67 4.451 -4.015 14.585 513 H CYS 68 H CYS 68 3.057 -1.163 14.597 514 HA CYS 68 HA CYS 68 2.261 -1.415 11.810 515 HB2 CYS 68 1HB CYS 68 3.517 0.634 11.475 516 HB3 CYS 68 2HB CYS 68 2.589 0.778 12.966 517 HG CYS 68 HG CYS 68 5.359 -0.288 13.559 518 H VAL 69 H VAL 69 3.288 -2.637 10.343 519 HA VAL 69 HA VAL 69 5.672 -4.118 10.928 520 HB VAL 69 HB VAL 69 4.354 -3.479 8.278 521 HG11 VAL 69 1HG1 VAL 69 6.499 -5.469 9.059 522 HG12 VAL 69 2HG1 VAL 69 6.606 -4.197 7.842 523 HG13 VAL 69 3HG1 VAL 69 5.565 -5.595 7.567 524 HG21 VAL 69 3HG2 VAL 69 3.318 -5.677 8.529 525 HG22 VAL 69 1HG2 VAL 69 2.934 -4.686 9.937 526 HG23 VAL 69 2HG2 VAL 69 4.175 -5.935 10.049 527 H SER 70 H SER 70 5.114 -1.233 8.891 528 HA SER 70 HA SER 70 7.461 0.126 9.526 529 HB2 SER 70 1HB SER 70 7.943 -2.117 7.632 530 HB3 SER 70 2HB SER 70 8.728 -0.590 7.242 531 HG SER 70 HG SER 70 9.576 -0.594 9.368 532 H THR 71 H THR 71 8.213 1.598 7.636 533 HA THR 71 HA THR 71 5.815 2.389 6.018 534 HB THR 71 HB THR 71 8.028 4.094 7.191 535 HG1 THR 71 HG1 THR 71 6.663 4.267 8.759 536 HG21 THR 71 3HG2 THR 71 7.476 5.105 5.121 537 HG22 THR 71 1HG2 THR 71 6.480 5.953 6.304 538 HG23 THR 71 2HG2 THR 71 5.767 4.703 5.285 539 H MET 72 H MET 72 6.060 2.420 3.871 540 HA MET 72 HA MET 72 8.379 1.381 2.577 541 HB2 MET 72 1HB MET 72 6.007 2.948 1.538 542 HB3 MET 72 2HB MET 72 7.227 2.232 0.483 543 HG2 MET 72 1HG MET 72 6.750 0.005 1.456 544 HG3 MET 72 2HG MET 72 5.520 0.727 2.492 545 HE1 MET 72 3HE MET 72 3.253 -1.172 0.081 546 HE2 MET 72 1HE MET 72 3.545 -0.673 1.753 547 HE3 MET 72 2HE MET 72 4.739 -1.648 0.900 548 H ASP 73 H ASP 73 9.941 2.859 3.705 549 HA ASP 73 HA ASP 73 10.126 5.654 3.036 550 HB2 ASP 73 1HB ASP 73 12.003 3.578 4.147 551 HB3 ASP 73 2HB ASP 73 12.652 5.140 3.655 552 H ASN 74 H ASN 74 11.365 2.705 1.532 553 HA ASN 74 HA ASN 74 12.893 4.242 -0.465 554 HB2 ASN 74 1HB ASN 74 12.423 1.288 -0.030 555 HB3 ASN 74 2HB ASN 74 13.335 1.914 -1.402 556 HD21 ASN 74 2HD2 ASN 74 14.612 0.275 0.560 557 HD22 ASN 74 1HD2 ASN 74 15.721 1.229 1.421 558 H ASN 75 H ASN 75 11.669 5.252 -1.950 559 HA ASN 75 HA ASN 75 9.125 4.225 -2.901 560 HB2 ASN 75 1HB ASN 75 9.155 6.154 -4.395 561 HB3 ASN 75 2HB ASN 75 9.690 6.661 -2.794 562 HD21 ASN 75 2HD2 ASN 75 10.629 8.439 -4.431 563 HD22 ASN 75 1HD2 ASN 75 12.218 8.155 -4.957 564 H ASP 76 H ASP 76 12.405 3.695 -3.720 565 HA ASP 76 HA ASP 76 11.774 2.802 -6.477 566 HB2 ASP 76 1HB ASP 76 14.251 2.378 -6.589 567 HB3 ASP 76 2HB ASP 76 13.838 4.050 -6.221 568 H ALA 77 H ALA 77 11.478 1.517 -3.467 569 HA ALA 77 HA ALA 77 12.592 -1.142 -4.000 570 HB1 ALA 77 3HB ALA 77 12.589 -0.504 -1.710 571 HB2 ALA 77 1HB ALA 77 11.313 -1.715 -1.859 572 HB3 ALA 77 2HB ALA 77 10.900 -0.002 -1.779 573 H GLN 78 H GLN 78 11.209 -3.083 -3.935 574 HA GLN 78 HA GLN 78 8.942 -2.777 -5.764 575 HB2 GLN 78 1HB GLN 78 10.284 -5.182 -4.517 576 HB3 GLN 78 2HB GLN 78 8.913 -5.303 -5.621 577 HG2 GLN 78 1HG GLN 78 10.180 -4.126 -7.359 578 HG3 GLN 78 2HG GLN 78 11.541 -3.927 -6.257 579 HE21 GLN 78 2HE2 GLN 78 10.360 -5.915 -8.712 580 HE22 GLN 78 1HE2 GLN 78 11.274 -7.305 -8.377 581 H LEU 79 H LEU 79 6.852 -3.726 -5.345 582 HA LEU 79 HA LEU 79 5.717 -2.923 -2.853 583 HB2 LEU 79 1HB LEU 79 4.376 -3.059 -4.904 584 HB3 LEU 79 2HB LEU 79 4.649 -4.798 -4.986 585 HG LEU 79 HG LEU 79 3.415 -5.137 -2.904 586 HD11 LEU 79 1HD1 LEU 79 2.162 -2.983 -2.046 587 HD12 LEU 79 2HD1 LEU 79 3.486 -2.126 -2.836 588 HD13 LEU 79 3HD1 LEU 79 3.826 -3.278 -1.545 589 HD21 LEU 79 3HD2 LEU 79 2.201 -4.882 -5.134 590 HD22 LEU 79 1HD2 LEU 79 1.805 -3.238 -4.631 591 HD23 LEU 79 2HD2 LEU 79 1.215 -4.613 -3.697 592 H GLY 80 H GLY 80 6.695 -6.095 -4.095 593 HA2 GLY 80 1HA GLY 80 5.739 -7.565 -1.785 594 HA3 GLY 80 2HA GLY 80 6.848 -8.177 -3.013 595 H TYR 81 H TYR 81 8.243 -5.400 -2.154 596 HA TYR 81 HA TYR 81 10.373 -6.612 -0.674 597 HB2 TYR 81 1HB TYR 81 10.518 -4.474 -2.013 598 HB3 TYR 81 2HB TYR 81 9.629 -3.679 -0.717 599 HD1 TYR 81 HD2 TYR 81 10.620 -3.549 1.585 600 HD2 TYR 81 HD1 TYR 81 12.833 -5.031 -1.783 601 HE1 TYR 81 HE2 TYR 81 12.733 -3.271 2.852 602 HE2 TYR 81 HE1 TYR 81 14.948 -4.754 -0.517 603 HH TYR 81 HH TYR 81 15.558 -3.016 1.681 604 H TYR 82 H TYR 82 7.617 -4.614 0.348 605 HA TYR 82 HA TYR 82 8.254 -5.223 3.209 606 HB2 TYR 82 1HB TYR 82 6.376 -3.181 1.990 607 HB3 TYR 82 2HB TYR 82 6.677 -3.384 3.715 608 HD1 TYR 82 HD1 TYR 82 8.948 -2.934 4.649 609 HD2 TYR 82 HD2 TYR 82 7.940 -2.035 0.572 610 HE1 TYR 82 HE1 TYR 82 10.941 -1.470 4.481 611 HE2 TYR 82 HE2 TYR 82 9.933 -0.568 0.403 612 HH TYR 82 HH TYR 82 11.636 0.350 1.494 613 H ALA 83 H ALA 83 5.903 -5.679 0.663 614 HA ALA 83 HA ALA 83 4.045 -7.048 2.569 615 HB1 ALA 83 3HB ALA 83 2.355 -6.821 0.856 616 HB2 ALA 83 1HB ALA 83 3.558 -6.312 -0.329 617 HB3 ALA 83 2HB ALA 83 3.155 -5.257 1.024 618 H ASN 84 H ASN 84 5.698 -8.824 2.627 619 HA ASN 84 HA ASN 84 5.819 -10.490 0.171 620 HB2 ASN 84 1HB ASN 84 7.495 -11.798 1.380 621 HB3 ASN 84 2HB ASN 84 7.902 -10.088 1.486 622 HD21 ASN 84 2HD2 ASN 84 9.131 -11.218 3.462 623 HD22 ASN 84 1HD2 ASN 84 8.291 -11.187 4.935 624 H SER 85 H SER 85 3.589 -10.033 2.440 625 HA SER 85 HA SER 85 2.625 -12.826 2.247 626 HB2 SER 85 1HB SER 85 3.094 -11.428 4.887 627 HB3 SER 85 2HB SER 85 2.123 -12.886 4.702 628 HG SER 85 HG SER 85 4.150 -13.647 3.537 629 H ASP 86 H ASP 86 0.358 -13.016 2.604 630 HA ASP 86 HA ASP 86 -1.120 -10.557 2.008 631 HB2 ASP 86 1HB ASP 86 -3.050 -12.052 1.707 632 HB3 ASP 86 2HB ASP 86 -1.652 -12.636 0.810 633 H GLY 87 H GLY 87 -3.303 -10.285 3.140 634 HA2 GLY 87 1HA GLY 87 -4.612 -10.176 5.132 635 HA3 GLY 87 2HA GLY 87 -3.327 -11.021 6.001 636 H LEU 88 H LEU 88 -1.767 -8.752 4.251 637 HA LEU 88 HA LEU 88 -1.316 -7.043 6.574 638 HB2 LEU 88 1HB LEU 88 -0.378 -6.717 3.711 639 HB3 LEU 88 2HB LEU 88 0.244 -5.835 5.105 640 HG LEU 88 HG LEU 88 0.355 -8.847 4.746 641 HD11 LEU 88 1HD1 LEU 88 2.519 -6.728 4.552 642 HD12 LEU 88 2HD1 LEU 88 1.870 -7.672 3.210 643 HD13 LEU 88 3HD1 LEU 88 2.792 -8.469 4.485 644 HD21 LEU 88 3HD2 LEU 88 0.342 -8.517 7.075 645 HD22 LEU 88 1HD2 LEU 88 1.174 -6.965 6.960 646 HD23 LEU 88 2HD2 LEU 88 2.064 -8.467 6.714 647 H ARG 89 H ARG 89 -1.721 -4.770 6.663 648 HA ARG 89 HA ARG 89 -3.978 -3.864 4.905 649 HB2 ARG 89 1HB ARG 89 -4.659 -4.290 7.259 650 HB3 ARG 89 2HB ARG 89 -3.461 -3.108 7.794 651 HG2 ARG 89 1HG ARG 89 -4.578 -1.363 6.449 652 HG3 ARG 89 2HG ARG 89 -5.772 -2.544 5.911 653 HD2 ARG 89 1HD ARG 89 -5.287 -1.808 8.810 654 HD3 ARG 89 2HD ARG 89 -6.565 -1.119 7.809 655 HE ARG 89 HE ARG 89 -6.518 -3.837 8.914 656 HH11 ARG 89 1HH2 ARG 89 -7.816 -1.631 6.587 657 HH12 ARG 89 2HH2 ARG 89 -9.266 -2.547 6.347 658 HH21 ARG 89 1HH1 ARG 89 -8.396 -5.024 8.606 659 HH22 ARG 89 2HH1 ARG 89 -9.595 -4.464 7.488 660 H LEU 90 H LEU 90 -3.647 -2.024 3.833 661 HA LEU 90 HA LEU 90 -1.156 -0.465 4.379 662 HB2 LEU 90 1HB LEU 90 -2.943 -0.459 1.929 663 HB3 LEU 90 2HB LEU 90 -1.375 0.333 2.083 664 HG LEU 90 HG LEU 90 -1.853 -2.659 2.286 665 HD11 LEU 90 1HD1 LEU 90 -0.707 -0.915 0.088 666 HD12 LEU 90 2HD1 LEU 90 -2.135 -1.946 -0.005 667 HD13 LEU 90 3HD1 LEU 90 -0.533 -2.670 0.132 668 HD21 LEU 90 3HD2 LEU 90 0.061 -2.217 3.602 669 HD22 LEU 90 1HD2 LEU 90 0.593 -0.903 2.551 670 HD23 LEU 90 2HD2 LEU 90 0.743 -2.578 2.020 671 H HIS 91 H HIS 91 -1.306 1.581 5.082 672 HA HIS 91 HA HIS 91 -4.025 2.840 5.233 673 HB2 HIS 91 1HB HIS 91 -2.995 2.277 7.426 674 HB3 HIS 91 2HB HIS 91 -1.621 3.306 7.019 675 HD1 HIS 91 HD1 HIS 91 -5.424 3.625 7.165 676 HD2 HIS 91 HD2 HIS 91 -2.005 5.917 7.824 677 HE1 HIS 91 HE1 HIS 91 -6.224 5.882 7.987 678 H VAL 92 H VAL 92 -4.285 4.704 4.170 679 HA VAL 92 HA VAL 92 -1.865 6.075 3.066 680 HB VAL 92 HB VAL 92 -4.728 5.933 2.095 681 HG11 VAL 92 1HG1 VAL 92 -2.417 7.694 1.252 682 HG12 VAL 92 2HG1 VAL 92 -4.059 8.182 1.669 683 HG13 VAL 92 3HG1 VAL 92 -3.752 7.319 0.162 684 HG21 VAL 92 3HG2 VAL 92 -3.183 4.019 1.606 685 HG22 VAL 92 1HG2 VAL 92 -2.097 5.150 0.801 686 HG23 VAL 92 2HG2 VAL 92 -3.712 4.864 0.152 687 H VAL 93 H VAL 93 -1.471 8.105 3.697 688 HA VAL 93 HA VAL 93 -3.493 9.464 5.442 689 HB VAL 93 HB VAL 93 -0.600 10.281 5.179 690 HG11 VAL 93 1HG1 VAL 93 -2.153 11.746 6.405 691 HG12 VAL 93 2HG1 VAL 93 -0.989 11.015 7.511 692 HG13 VAL 93 3HG1 VAL 93 -2.636 10.391 7.426 693 HG21 VAL 93 3HG2 VAL 93 -0.522 7.888 5.630 694 HG22 VAL 93 1HG2 VAL 93 -1.742 8.053 6.893 695 HG23 VAL 93 2HG2 VAL 93 -0.139 8.757 7.115 696 H ASP 94 H ASP 94 -4.598 11.046 4.466 697 HA ASP 94 HA ASP 94 -3.246 12.672 2.342 698 HB2 ASP 94 1HB ASP 94 -5.442 12.818 1.193 699 HB3 ASP 94 2HB ASP 94 -4.847 11.163 1.279 700 H SER 95 H SER 95 -2.904 14.576 3.310 701 HA SER 95 HA SER 95 -5.130 16.239 4.116 702 HB2 SER 95 1HB SER 95 -4.502 16.551 6.466 703 HB3 SER 95 2HB SER 95 -4.889 14.857 6.174 704 HG SER 95 HG SER 95 -2.359 16.094 6.442 Start of MODEL 5 1 H1 MET 1 1H MET 1 -6.556 4.624 -20.583 2 H2 MET 1 2H MET 1 -6.023 3.012 -20.504 3 H3 MET 1 3H MET 1 -7.312 3.436 -21.528 4 HA MET 1 HA MET 1 -5.753 4.898 -22.774 5 HB2 MET 1 1HB MET 1 -3.787 3.443 -20.984 6 HB3 MET 1 2HB MET 1 -3.323 4.324 -22.442 7 HG2 MET 1 1HG MET 1 -4.367 6.376 -21.504 8 HG3 MET 1 2HG MET 1 -4.742 5.493 -20.028 9 HE1 MET 1 3HE MET 1 -3.287 4.512 -18.508 10 HE2 MET 1 1HE MET 1 -1.582 4.884 -18.226 11 HE3 MET 1 2HE MET 1 -2.038 3.688 -19.436 12 H GLY 2 H GLY 2 -7.055 3.414 -24.105 13 HA2 GLY 2 1HA GLY 2 -7.015 1.861 -25.880 14 HA3 GLY 2 2HA GLY 2 -5.367 1.434 -25.425 15 H HIS 3 H HIS 3 -6.420 -0.751 -25.995 16 HA HIS 3 HA HIS 3 -8.267 -1.930 -24.102 17 HB2 HIS 3 1HB HIS 3 -7.530 -4.090 -25.239 18 HB3 HIS 3 2HB HIS 3 -8.222 -2.864 -26.298 19 HD1 HIS 3 HD1 HIS 3 -5.017 -4.609 -25.486 20 HD2 HIS 3 HD2 HIS 3 -6.330 -1.582 -28.035 21 HE1 HIS 3 HE1 HIS 3 -3.152 -4.218 -27.154 22 H HIS 4 H HIS 4 -7.827 -3.409 -22.439 23 HA HIS 4 HA HIS 4 -5.334 -2.989 -21.021 24 HB2 HIS 4 1HB HIS 4 -6.284 -4.409 -19.311 25 HB3 HIS 4 2HB HIS 4 -7.563 -3.363 -19.921 26 HD1 HIS 4 HD1 HIS 4 -9.249 -4.486 -21.685 27 HD2 HIS 4 HD2 HIS 4 -6.768 -7.140 -19.638 28 HE1 HIS 4 HE1 HIS 4 -10.271 -6.786 -21.968 29 H HIS 5 H HIS 5 -3.785 -4.629 -20.454 30 HA HIS 5 HA HIS 5 -3.063 -6.353 -22.668 31 HB2 HIS 5 1HB HIS 5 -1.966 -6.167 -19.847 32 HB3 HIS 5 2HB HIS 5 -1.213 -7.069 -21.163 33 HD1 HIS 5 HD1 HIS 5 -0.581 -5.567 -23.342 34 HD2 HIS 5 HD2 HIS 5 -1.290 -3.473 -19.809 35 HE1 HIS 5 HE1 HIS 5 0.386 -3.250 -23.676 36 H HIS 6 H HIS 6 -3.393 -8.529 -22.905 37 HA HIS 6 HA HIS 6 -5.121 -9.878 -20.873 38 HB2 HIS 6 1HB HIS 6 -4.555 -10.411 -23.798 39 HB3 HIS 6 2HB HIS 6 -5.436 -11.550 -22.778 40 HD1 HIS 6 HD1 HIS 6 -5.651 -7.986 -24.062 41 HD2 HIS 6 HD2 HIS 6 -8.100 -10.860 -22.298 42 HE1 HIS 6 HE1 HIS 6 -8.005 -7.054 -24.122 43 H HIS 7 H HIS 7 -4.158 -11.321 -19.542 44 HA HIS 7 HA HIS 7 -1.570 -12.582 -20.400 45 HB2 HIS 7 1HB HIS 7 -1.072 -12.804 -17.994 46 HB3 HIS 7 2HB HIS 7 -1.340 -11.120 -18.437 47 HD1 HIS 7 HD1 HIS 7 -3.593 -10.020 -17.662 48 HD2 HIS 7 HD2 HIS 7 -2.994 -13.887 -16.224 49 HE1 HIS 7 HE1 HIS 7 -5.262 -10.354 -15.786 50 H HIS 8 H HIS 8 -2.086 -14.560 -21.181 51 HA HIS 8 HA HIS 8 -4.357 -16.109 -20.345 52 HB2 HIS 8 1HB HIS 8 -1.823 -16.844 -21.831 53 HB3 HIS 8 2HB HIS 8 -3.128 -17.991 -21.540 54 HD1 HIS 8 HD1 HIS 8 -5.495 -17.380 -22.615 55 HD2 HIS 8 HD2 HIS 8 -2.304 -15.030 -23.911 56 HE1 HIS 8 HE1 HIS 8 -6.283 -16.194 -24.711 57 H SER 9 H SER 9 -0.918 -16.201 -19.449 58 HA SER 9 HA SER 9 -1.617 -17.472 -16.892 59 HB2 SER 9 1HB SER 9 0.063 -19.330 -17.292 60 HB3 SER 9 2HB SER 9 -1.426 -19.466 -18.221 61 HG SER 9 HG SER 9 0.606 -19.750 -19.407 62 H HIS 10 H HIS 10 1.215 -16.940 -19.015 63 HA HIS 10 HA HIS 10 3.352 -16.102 -18.477 64 HB2 HIS 10 1HB HIS 10 1.457 -14.088 -17.248 65 HB3 HIS 10 2HB HIS 10 3.193 -13.816 -17.400 66 HD1 HIS 10 HD1 HIS 10 0.060 -14.181 -19.450 67 HD2 HIS 10 HD2 HIS 10 4.093 -13.311 -20.044 68 HE1 HIS 10 HE1 HIS 10 0.269 -13.349 -21.833 69 H GLY 11 H GLY 11 2.593 -14.432 -15.640 70 HA2 GLY 11 1HA GLY 11 4.249 -16.285 -14.054 71 HA3 GLY 11 2HA GLY 11 3.691 -14.692 -13.542 72 H LYS 12 H LYS 12 3.340 -17.878 -12.874 73 HA LYS 12 HA LYS 12 0.445 -17.940 -12.432 74 HB2 LYS 12 1HB LYS 12 0.847 -20.146 -11.496 75 HB3 LYS 12 2HB LYS 12 1.770 -19.982 -12.990 76 HG2 LYS 12 1HG LYS 12 3.745 -19.266 -11.559 77 HG3 LYS 12 2HG LYS 12 2.805 -19.763 -10.153 78 HD2 LYS 12 1HD LYS 12 3.409 -21.588 -12.494 79 HD3 LYS 12 2HD LYS 12 4.374 -21.537 -11.021 80 HE2 LYS 12 1HE LYS 12 2.201 -21.983 -9.747 81 HE3 LYS 12 2HE LYS 12 1.478 -22.358 -11.312 82 HZ1 LYS 12 3HZ LYS 12 4.021 -23.630 -10.660 83 HZ2 LYS 12 1HZ LYS 12 2.704 -24.227 -11.546 84 HZ3 LYS 12 2HZ LYS 12 2.636 -24.189 -9.849 85 H SER 13 H SER 13 -0.606 -17.465 -10.564 86 HA SER 13 HA SER 13 -0.891 -16.312 -8.524 87 HB2 SER 13 1HB SER 13 -0.334 -17.688 -6.694 88 HB3 SER 13 2HB SER 13 -0.495 -18.811 -8.039 89 HG SER 13 HG SER 13 1.810 -18.618 -8.290 90 H ASP 14 H ASP 14 0.122 -14.310 -8.952 91 HA ASP 14 HA ASP 14 2.699 -13.927 -7.503 92 HB2 ASP 14 1HB ASP 14 2.094 -13.086 -10.350 93 HB3 ASP 14 2HB ASP 14 3.356 -12.315 -9.388 94 H PHE 15 H PHE 15 -0.178 -13.359 -6.996 95 HA PHE 15 HA PHE 15 0.016 -10.384 -6.640 96 HB2 PHE 15 1HB PHE 15 -2.623 -11.816 -6.965 97 HB3 PHE 15 2HB PHE 15 -2.253 -10.108 -7.207 98 HD1 PHE 15 HD2 PHE 15 -1.900 -13.508 -8.616 99 HD2 PHE 15 HD1 PHE 15 -1.354 -9.303 -9.294 100 HE1 PHE 15 HE2 PHE 15 -1.513 -13.952 -11.024 101 HE2 PHE 15 HE1 PHE 15 -0.968 -9.744 -11.707 102 HZ PHE 15 HZ PHE 15 -1.048 -12.068 -12.571 103 H ILE 16 H ILE 16 -0.952 -9.608 -4.688 104 HA ILE 16 HA ILE 16 -1.500 -11.717 -2.616 105 HB ILE 16 HB ILE 16 -0.536 -10.136 -0.965 106 HG12 ILE 16 1HG1 ILE 16 0.355 -8.551 -3.396 107 HG13 ILE 16 2HG1 ILE 16 -0.966 -8.061 -2.334 108 HG21 ILE 16 1HG2 ILE 16 0.814 -11.920 -2.167 109 HG22 ILE 16 2HG2 ILE 16 1.751 -10.585 -1.496 110 HG23 ILE 16 3HG2 ILE 16 1.406 -10.640 -3.226 111 HD11 ILE 16 3HD1 ILE 16 0.648 -8.164 -0.404 112 HD12 ILE 16 1HD1 ILE 16 1.027 -6.918 -1.594 113 HD13 ILE 16 2HD1 ILE 16 1.941 -8.426 -1.574 114 H LYS 17 H LYS 17 -3.083 -11.171 -1.043 115 HA LYS 17 HA LYS 17 -5.057 -9.123 -1.982 116 HB2 LYS 17 1HB LYS 17 -5.346 -11.578 -0.228 117 HB3 LYS 17 2HB LYS 17 -6.648 -10.426 -0.528 118 HG2 LYS 17 1HG LYS 17 -6.466 -10.854 -2.953 119 HG3 LYS 17 2HG LYS 17 -5.173 -12.016 -2.649 120 HD2 LYS 17 1HD LYS 17 -6.701 -13.405 -1.324 121 HD3 LYS 17 2HD LYS 17 -7.995 -12.229 -1.558 122 HE2 LYS 17 1HE LYS 17 -8.263 -14.058 -3.157 123 HE3 LYS 17 2HE LYS 17 -7.828 -12.582 -4.019 124 HZ1 LYS 17 3HZ LYS 17 -6.502 -14.371 -4.841 125 HZ2 LYS 17 1HZ LYS 17 -6.015 -14.811 -3.277 126 HZ3 LYS 17 2HZ LYS 17 -5.492 -13.339 -3.945 127 H VAL 18 H VAL 18 -4.904 -7.246 -0.866 128 HA VAL 18 HA VAL 18 -4.547 -7.371 2.102 129 HB VAL 18 HB VAL 18 -3.085 -5.363 1.968 130 HG11 VAL 18 1HG1 VAL 18 -2.056 -7.687 0.315 131 HG12 VAL 18 2HG1 VAL 18 -2.155 -7.685 2.076 132 HG13 VAL 18 3HG1 VAL 18 -1.085 -6.551 1.249 133 HG21 VAL 18 3HG2 VAL 18 -3.315 -5.911 -1.006 134 HG22 VAL 18 1HG2 VAL 18 -2.067 -4.884 -0.300 135 HG23 VAL 18 2HG2 VAL 18 -3.767 -4.433 -0.156 136 H ASN 19 H ASN 19 -5.258 -5.318 3.139 137 HA ASN 19 HA ASN 19 -7.683 -4.272 1.750 138 HB2 ASN 19 1HB ASN 19 -6.800 -4.254 4.648 139 HB3 ASN 19 2HB ASN 19 -8.255 -3.446 4.068 140 HD21 ASN 19 2HD2 ASN 19 -8.611 -5.736 2.013 141 HD22 ASN 19 1HD2 ASN 19 -9.267 -7.000 2.932 142 H VAL 20 H VAL 20 -7.995 -2.067 1.457 143 HA VAL 20 HA VAL 20 -5.660 -0.271 2.055 144 HB VAL 20 HB VAL 20 -7.470 -0.365 -0.372 145 HG11 VAL 20 1HG1 VAL 20 -7.233 1.955 0.111 146 HG12 VAL 20 2HG1 VAL 20 -6.005 1.607 -1.103 147 HG13 VAL 20 3HG1 VAL 20 -5.548 1.758 0.594 148 HG21 VAL 20 3HG2 VAL 20 -5.486 -1.906 -0.272 149 HG22 VAL 20 1HG2 VAL 20 -4.452 -0.487 -0.115 150 HG23 VAL 20 2HG2 VAL 20 -5.396 -0.730 -1.584 151 H SER 21 H SER 21 -6.169 1.562 3.143 152 HA SER 21 HA SER 21 -9.017 2.465 3.261 153 HB2 SER 21 1HB SER 21 -8.715 2.810 5.735 154 HB3 SER 21 2HB SER 21 -8.729 1.115 5.258 155 HG SER 21 HG SER 21 -6.537 2.763 5.955 156 H ASN 22 H ASN 22 -9.131 4.718 4.204 157 HA ASN 22 HA ASN 22 -6.583 6.244 4.028 158 HB2 ASN 22 1HB ASN 22 -8.083 7.966 2.626 159 HB3 ASN 22 2HB ASN 22 -7.194 6.669 1.828 160 HD21 ASN 22 2HD2 ASN 22 -8.911 6.796 0.110 161 HD22 ASN 22 1HD2 ASN 22 -10.391 6.006 0.365 162 H SER 23 H SER 23 -6.489 7.773 5.549 163 HA SER 23 HA SER 23 -8.509 8.024 7.554 164 HB2 SER 23 1HB SER 23 -6.211 9.881 6.884 165 HB3 SER 23 2HB SER 23 -7.140 9.917 8.379 166 HG SER 23 HG SER 23 -5.531 7.808 7.369 167 H HIS 24 H HIS 24 -7.634 10.119 4.821 168 HA HIS 24 HA HIS 24 -9.711 12.070 5.452 169 HB2 HIS 24 1HB HIS 24 -7.814 11.679 3.134 170 HB3 HIS 24 2HB HIS 24 -9.061 12.924 3.102 171 HD1 HIS 24 HD1 HIS 24 -6.105 11.829 5.239 172 HD2 HIS 24 HD2 HIS 24 -8.398 15.229 4.492 173 HE1 HIS 24 HE1 HIS 24 -4.984 13.737 6.473 174 H ASN 25 H ASN 25 -9.282 10.520 2.295 175 HA ASN 25 HA ASN 25 -12.060 10.632 1.657 176 HB2 ASN 25 1HB ASN 25 -10.162 10.415 0.013 177 HB3 ASN 25 2HB ASN 25 -10.013 8.727 0.495 178 HD21 ASN 25 2HD2 ASN 25 -10.740 9.531 -2.187 179 HD22 ASN 25 1HD2 ASN 25 -12.329 9.005 -2.470 180 H ASP 26 H ASP 26 -13.655 9.036 1.688 181 HA ASP 26 HA ASP 26 -13.285 6.937 3.736 182 HB2 ASP 26 1HB ASP 26 -15.708 7.877 2.174 183 HB3 ASP 26 2HB ASP 26 -15.750 6.592 3.382 184 H ALA 27 H ALA 27 -12.667 7.153 0.516 185 HA ALA 27 HA ALA 27 -13.881 4.835 -0.611 186 HB1 ALA 27 3HB ALA 27 -12.512 6.697 -1.775 187 HB2 ALA 27 1HB ALA 27 -12.310 5.050 -2.373 188 HB3 ALA 27 2HB ALA 27 -11.093 5.760 -1.313 189 H VAL 28 H VAL 28 -13.637 2.760 0.016 190 HA VAL 28 HA VAL 28 -10.994 1.871 1.134 191 HB VAL 28 HB VAL 28 -13.787 1.177 2.085 192 HG11 VAL 28 1HG1 VAL 28 -12.467 -0.263 3.757 193 HG12 VAL 28 2HG1 VAL 28 -11.114 -0.124 2.636 194 HG13 VAL 28 3HG1 VAL 28 -12.612 -0.895 2.118 195 HG21 VAL 28 3HG2 VAL 28 -13.096 2.162 4.154 196 HG22 VAL 28 1HG2 VAL 28 -12.604 3.291 2.891 197 HG23 VAL 28 2HG2 VAL 28 -11.410 2.227 3.637 198 H ALA 29 H ALA 29 -10.193 0.062 0.162 199 HA ALA 29 HA ALA 29 -11.984 -1.419 -1.753 200 HB1 ALA 29 3HB ALA 29 -8.965 -1.351 -1.876 201 HB2 ALA 29 1HB ALA 29 -9.947 -0.105 -2.644 202 HB3 ALA 29 2HB ALA 29 -10.104 -1.786 -3.150 203 H PHE 30 H PHE 30 -12.183 -3.614 -1.445 204 HA PHE 30 HA PHE 30 -10.653 -4.816 0.842 205 HB2 PHE 30 1HB PHE 30 -13.361 -5.480 -0.334 206 HB3 PHE 30 2HB PHE 30 -12.564 -6.445 0.911 207 HD1 PHE 30 HD2 PHE 30 -11.994 -5.394 3.122 208 HD2 PHE 30 HD1 PHE 30 -14.453 -3.421 0.205 209 HE1 PHE 30 HE2 PHE 30 -12.816 -3.840 4.869 210 HE2 PHE 30 HE1 PHE 30 -15.276 -1.865 1.952 211 HZ PHE 30 HZ PHE 30 -14.458 -2.075 4.284 212 H GLU 31 H GLU 31 -9.698 -6.837 0.601 213 HA GLU 31 HA GLU 31 -8.375 -8.354 -0.630 214 HB2 GLU 31 1HB GLU 31 -11.164 -8.729 -1.752 215 HB3 GLU 31 2HB GLU 31 -9.831 -9.844 -2.060 216 HG2 GLU 31 1HG GLU 31 -9.568 -10.238 0.345 217 HG3 GLU 31 2HG GLU 31 -10.842 -9.071 0.694 218 H VAL 32 H VAL 32 -7.610 -6.083 -1.667 219 HA VAL 32 HA VAL 32 -8.227 -5.967 -4.561 220 HB VAL 32 HB VAL 32 -7.968 -3.907 -3.090 221 HG11 VAL 32 1HG1 VAL 32 -5.845 -3.222 -2.337 222 HG12 VAL 32 2HG1 VAL 32 -4.999 -4.348 -3.395 223 HG13 VAL 32 3HG1 VAL 32 -5.856 -4.947 -1.977 224 HG21 VAL 32 3HG2 VAL 32 -7.872 -3.789 -5.538 225 HG22 VAL 32 1HG2 VAL 32 -6.158 -4.204 -5.507 226 HG23 VAL 32 2HG2 VAL 32 -6.706 -2.668 -4.834 227 H LYS 33 H LYS 33 -7.055 -7.141 -5.976 228 HA LYS 33 HA LYS 33 -4.680 -8.596 -5.145 229 HB2 LYS 33 1HB LYS 33 -6.044 -8.239 -7.823 230 HB3 LYS 33 2HB LYS 33 -4.634 -9.272 -7.583 231 HG2 LYS 33 1HG LYS 33 -5.844 -10.603 -5.935 232 HG3 LYS 33 2HG LYS 33 -7.235 -9.528 -6.050 233 HD2 LYS 33 1HD LYS 33 -7.794 -11.369 -7.441 234 HD3 LYS 33 2HD LYS 33 -7.275 -10.107 -8.556 235 HE2 LYS 33 1HE LYS 33 -5.142 -11.131 -8.878 236 HE3 LYS 33 2HE LYS 33 -5.372 -12.216 -7.506 237 HZ1 LYS 33 3HZ LYS 33 -6.190 -13.669 -8.938 238 HZ2 LYS 33 1HZ LYS 33 -6.186 -12.539 -10.203 239 HZ3 LYS 33 2HZ LYS 33 -7.525 -12.641 -9.162 240 H LEU 34 H LEU 34 -2.568 -8.020 -5.425 241 HA LEU 34 HA LEU 34 -1.908 -5.776 -7.283 242 HB2 LEU 34 1HB LEU 34 -1.045 -5.999 -4.383 243 HB3 LEU 34 2HB LEU 34 -0.362 -4.855 -5.535 244 HG LEU 34 HG LEU 34 -3.315 -5.012 -4.866 245 HD11 LEU 34 1HD1 LEU 34 -1.249 -3.038 -3.857 246 HD12 LEU 34 2HD1 LEU 34 -1.908 -4.367 -2.903 247 HD13 LEU 34 3HD1 LEU 34 -2.964 -3.064 -3.448 248 HD21 LEU 34 3HD2 LEU 34 -3.054 -2.557 -5.813 249 HD22 LEU 34 1HD2 LEU 34 -3.173 -3.908 -6.933 250 HD23 LEU 34 2HD2 LEU 34 -1.601 -3.201 -6.567 251 H ALA 35 H ALA 35 -0.171 -6.236 -8.503 252 HA ALA 35 HA ALA 35 1.118 -8.809 -8.293 253 HB1 ALA 35 3HB ALA 35 1.256 -8.181 -10.495 254 HB2 ALA 35 1HB ALA 35 2.730 -7.346 -10.002 255 HB3 ALA 35 2HB ALA 35 1.203 -6.469 -10.098 256 H LYS 36 H LYS 36 3.134 -9.333 -7.500 257 HA LYS 36 HA LYS 36 4.228 -7.663 -5.415 258 HB2 LYS 36 1HB LYS 36 5.212 -10.196 -6.744 259 HB3 LYS 36 2HB LYS 36 6.039 -9.436 -5.385 260 HG2 LYS 36 1HG LYS 36 4.004 -9.635 -4.022 261 HG3 LYS 36 2HG LYS 36 3.160 -10.377 -5.384 262 HD2 LYS 36 1HD LYS 36 4.715 -12.255 -5.378 263 HD3 LYS 36 2HD LYS 36 5.666 -11.498 -4.099 264 HE2 LYS 36 1HE LYS 36 4.286 -13.076 -2.984 265 HE3 LYS 36 2HE LYS 36 3.514 -11.518 -2.707 266 HZ1 LYS 36 3HZ LYS 36 2.746 -13.604 -4.665 267 HZ2 LYS 36 1HZ LYS 36 2.138 -12.022 -4.727 268 HZ3 LYS 36 2HZ LYS 36 1.824 -12.998 -3.372 269 H ASP 37 H ASP 37 4.716 -7.769 -8.794 270 HA ASP 37 HA ASP 37 7.467 -6.718 -8.710 271 HB2 ASP 37 1HB ASP 37 5.499 -7.139 -10.977 272 HB3 ASP 37 2HB ASP 37 7.129 -6.506 -11.200 273 H LEU 38 H LEU 38 4.528 -5.381 -8.049 274 HA LEU 38 HA LEU 38 4.724 -2.907 -9.558 275 HB2 LEU 38 1HB LEU 38 3.147 -3.648 -7.080 276 HB3 LEU 38 2HB LEU 38 2.977 -2.114 -7.930 277 HG LEU 38 HG LEU 38 2.588 -4.828 -9.220 278 HD11 LEU 38 1HD1 LEU 38 0.636 -2.869 -8.000 279 HD12 LEU 38 2HD1 LEU 38 0.825 -4.585 -7.632 280 HD13 LEU 38 3HD1 LEU 38 0.139 -4.084 -9.178 281 HD21 LEU 38 3HD2 LEU 38 3.011 -3.393 -11.010 282 HD22 LEU 38 1HD2 LEU 38 2.391 -1.975 -10.166 283 HD23 LEU 38 2HD2 LEU 38 1.277 -3.159 -10.842 284 H THR 39 H THR 39 5.636 -0.986 -8.960 285 HA THR 39 HA THR 39 7.553 -1.060 -6.713 286 HB THR 39 HB THR 39 8.358 1.069 -7.643 287 HG1 THR 39 HG1 THR 39 7.246 1.599 -9.737 288 HG21 THR 39 3HG2 THR 39 7.835 -1.120 -9.669 289 HG22 THR 39 1HG2 THR 39 9.263 -0.928 -8.650 290 HG23 THR 39 2HG2 THR 39 8.941 0.227 -9.944 291 H VAL 40 H VAL 40 7.675 0.895 -5.285 292 HA VAL 40 HA VAL 40 5.182 1.347 -3.945 293 HB VAL 40 HB VAL 40 7.856 2.760 -3.791 294 HG11 VAL 40 1HG1 VAL 40 6.318 4.368 -2.973 295 HG12 VAL 40 2HG1 VAL 40 6.895 3.540 -1.527 296 HG13 VAL 40 3HG1 VAL 40 5.315 3.139 -2.203 297 HG21 VAL 40 3HG2 VAL 40 7.846 0.408 -3.076 298 HG22 VAL 40 1HG2 VAL 40 6.479 0.729 -2.009 299 HG23 VAL 40 2HG2 VAL 40 8.047 1.469 -1.681 300 H ALA 41 H ALA 41 7.108 3.361 -6.159 301 HA ALA 41 HA ALA 41 5.475 5.688 -6.071 302 HB1 ALA 41 3HB ALA 41 6.987 4.633 -8.479 303 HB2 ALA 41 1HB ALA 41 7.744 5.516 -7.152 304 HB3 ALA 41 2HB ALA 41 6.537 6.309 -8.164 305 H GLN 42 H GLN 42 5.318 2.844 -8.211 306 HA GLN 42 HA GLN 42 3.072 3.770 -9.739 307 HB2 GLN 42 1HB GLN 42 4.133 0.991 -9.173 308 HB3 GLN 42 2HB GLN 42 2.803 1.309 -10.287 309 HG2 GLN 42 1HG GLN 42 4.229 2.739 -11.650 310 HG3 GLN 42 2HG GLN 42 5.555 2.562 -10.501 311 HE21 GLN 42 2HE2 GLN 42 4.395 1.343 -13.408 312 HE22 GLN 42 1HE2 GLN 42 5.159 -0.171 -13.383 313 H LEU 43 H LEU 43 3.360 1.953 -6.723 314 HA LEU 43 HA LEU 43 0.618 1.202 -6.475 315 HB2 LEU 43 1HB LEU 43 2.352 0.228 -5.044 316 HB3 LEU 43 2HB LEU 43 2.681 1.806 -4.334 317 HG LEU 43 HG LEU 43 0.434 1.883 -3.366 318 HD11 LEU 43 1HD1 LEU 43 -0.874 -0.387 -3.529 319 HD12 LEU 43 2HD1 LEU 43 0.080 -0.634 -4.991 320 HD13 LEU 43 3HD1 LEU 43 -0.991 0.761 -4.860 321 HD21 LEU 43 3HD2 LEU 43 1.802 -0.776 -2.869 322 HD22 LEU 43 1HD2 LEU 43 0.672 0.019 -1.775 323 HD23 LEU 43 2HD2 LEU 43 2.241 0.754 -2.111 324 H LYS 44 H LYS 44 2.376 4.116 -5.441 325 HA LYS 44 HA LYS 44 0.202 5.363 -4.073 326 HB2 LYS 44 1HB LYS 44 2.590 6.533 -5.520 327 HB3 LYS 44 2HB LYS 44 1.462 7.501 -4.571 328 HG2 LYS 44 1HG LYS 44 1.948 6.131 -2.583 329 HG3 LYS 44 2HG LYS 44 3.074 5.156 -3.529 330 HD2 LYS 44 1HD LYS 44 4.470 7.120 -3.952 331 HD3 LYS 44 2HD LYS 44 3.322 8.145 -3.089 332 HE2 LYS 44 1HE LYS 44 3.725 6.863 -1.020 333 HE3 LYS 44 2HE LYS 44 4.870 5.834 -1.879 334 HZ1 LYS 44 3HZ LYS 44 6.106 7.503 -0.767 335 HZ2 LYS 44 1HZ LYS 44 5.105 8.742 -1.351 336 HZ3 LYS 44 2HZ LYS 44 6.126 7.902 -2.418 337 H THR 45 H THR 45 1.210 5.520 -7.490 338 HA THR 45 HA THR 45 -0.688 7.465 -8.324 339 HB THR 45 HB THR 45 -0.311 6.535 -10.575 340 HG1 THR 45 HG1 THR 45 1.043 4.665 -10.701 341 HG21 THR 45 3HG2 THR 45 2.068 6.785 -8.738 342 HG22 THR 45 1HG2 THR 45 1.420 7.989 -9.851 343 HG23 THR 45 2HG2 THR 45 2.254 6.567 -10.478 344 H LYS 46 H LYS 46 -0.895 3.919 -8.132 345 HA LYS 46 HA LYS 46 -3.523 3.680 -9.247 346 HB2 LYS 46 1HB LYS 46 -2.025 1.941 -7.262 347 HB3 LYS 46 2HB LYS 46 -3.555 1.487 -8.014 348 HG2 LYS 46 1HG LYS 46 -2.561 1.591 -10.227 349 HG3 LYS 46 2HG LYS 46 -1.058 2.224 -9.564 350 HD2 LYS 46 1HD LYS 46 -0.636 -0.088 -9.892 351 HD3 LYS 46 2HD LYS 46 -0.953 0.067 -8.167 352 HE2 LYS 46 1HE LYS 46 -3.196 -0.762 -8.421 353 HE3 LYS 46 2HE LYS 46 -3.096 -0.669 -10.179 354 HZ1 LYS 46 3HZ LYS 46 -1.086 -2.270 -8.800 355 HZ2 LYS 46 1HZ LYS 46 -1.835 -2.527 -10.300 356 HZ3 LYS 46 2HZ LYS 46 -2.664 -2.897 -8.864 357 H LEU 47 H LEU 47 -2.359 4.072 -5.916 358 HA LEU 47 HA LEU 47 -4.927 3.961 -4.651 359 HB2 LEU 47 1HB LEU 47 -2.342 5.314 -3.837 360 HB3 LEU 47 2HB LEU 47 -3.751 5.210 -2.789 361 HG LEU 47 HG LEU 47 -2.422 2.784 -4.034 362 HD11 LEU 47 1HD1 LEU 47 -1.475 2.465 -1.706 363 HD12 LEU 47 2HD1 LEU 47 -1.972 4.120 -1.354 364 HD13 LEU 47 3HD1 LEU 47 -0.774 3.807 -2.611 365 HD21 LEU 47 3HD2 LEU 47 -4.592 3.237 -1.982 366 HD22 LEU 47 1HD2 LEU 47 -3.614 1.775 -1.907 367 HD23 LEU 47 2HD2 LEU 47 -4.570 2.115 -3.341 368 H GLU 48 H GLU 48 -3.045 6.621 -6.040 369 HA GLU 48 HA GLU 48 -4.618 8.800 -5.179 370 HB2 GLU 48 1HB GLU 48 -2.483 8.988 -6.470 371 HB3 GLU 48 2HB GLU 48 -3.351 8.466 -7.915 372 HG2 GLU 48 1HG GLU 48 -4.857 10.396 -7.729 373 HG3 GLU 48 2HG GLU 48 -4.030 10.909 -6.259 374 H ILE 49 H ILE 49 -5.052 6.676 -8.002 375 HA ILE 49 HA ILE 49 -7.422 7.982 -8.968 376 HB ILE 49 HB ILE 49 -6.420 5.136 -9.279 377 HG12 ILE 49 1HG1 ILE 49 -6.444 7.420 -11.268 378 HG13 ILE 49 2HG1 ILE 49 -5.072 7.092 -10.207 379 HG21 ILE 49 1HG2 ILE 49 -8.005 5.194 -11.298 380 HG22 ILE 49 2HG2 ILE 49 -8.759 6.590 -10.529 381 HG23 ILE 49 3HG2 ILE 49 -8.761 5.026 -9.713 382 HD11 ILE 49 3HD1 ILE 49 -6.280 5.046 -12.087 383 HD12 ILE 49 1HD1 ILE 49 -4.802 4.874 -11.140 384 HD13 ILE 49 2HD1 ILE 49 -4.867 6.026 -12.473 385 H LEU 50 H LEU 50 -6.906 5.213 -6.798 386 HA LEU 50 HA LEU 50 -9.652 4.550 -6.400 387 HB2 LEU 50 1HB LEU 50 -7.361 3.360 -5.702 388 HB3 LEU 50 2HB LEU 50 -7.647 4.195 -4.186 389 HG LEU 50 HG LEU 50 -8.649 2.008 -4.017 390 HD11 LEU 50 1HD1 LEU 50 -9.931 4.097 -3.210 391 HD12 LEU 50 2HD1 LEU 50 -10.840 2.597 -3.360 392 HD13 LEU 50 3HD1 LEU 50 -10.976 3.832 -4.606 393 HD21 LEU 50 3HD2 LEU 50 -8.957 2.063 -6.728 394 HD22 LEU 50 1HD2 LEU 50 -10.609 2.429 -6.234 395 HD23 LEU 50 2HD2 LEU 50 -9.827 0.951 -5.685 396 H THR 51 H THR 51 -7.477 6.677 -4.532 397 HA THR 51 HA THR 51 -9.740 7.519 -2.809 398 HB THR 51 HB THR 51 -8.064 8.669 -1.498 399 HG1 THR 51 HG1 THR 51 -6.812 9.559 -3.100 400 HG21 THR 51 3HG2 THR 51 -6.711 6.831 -0.827 401 HG22 THR 51 1HG2 THR 51 -6.720 6.137 -2.450 402 HG23 THR 51 2HG2 THR 51 -8.186 6.108 -1.471 403 H GLY 52 H GLY 52 -8.237 8.464 -5.706 404 HA2 GLY 52 1HA GLY 52 -8.573 10.338 -7.080 405 HA3 GLY 52 2HA GLY 52 -9.966 10.718 -6.068 406 H GLY 53 H GLY 53 -6.978 10.343 -4.417 407 HA2 GLY 53 1HA GLY 53 -6.990 13.221 -3.742 408 HA3 GLY 53 2HA GLY 53 -6.026 11.974 -2.949 409 H CYS 54 H CYS 54 -3.969 12.757 -3.178 410 HA CYS 54 HA CYS 54 -2.940 13.090 -5.967 411 HB2 CYS 54 1HB CYS 54 -1.440 14.950 -4.678 412 HB3 CYS 54 2HB CYS 54 -2.958 15.348 -5.480 413 HG CYS 54 HG CYS 54 -4.167 15.169 -3.144 414 H ALA 55 H ALA 55 -1.230 11.813 -6.271 415 HA ALA 55 HA ALA 55 -0.041 10.319 -4.097 416 HB1 ALA 55 3HB ALA 55 -0.145 9.177 -6.167 417 HB2 ALA 55 1HB ALA 55 1.561 9.585 -5.975 418 HB3 ALA 55 2HB ALA 55 0.538 10.545 -7.045 419 H GLY 56 H GLY 56 0.558 13.406 -5.401 420 HA2 GLY 56 1HA GLY 56 3.427 13.482 -4.928 421 HA3 GLY 56 2HA GLY 56 2.394 14.878 -5.224 422 H THR 57 H THR 57 0.830 13.337 -2.840 423 HA THR 57 HA THR 57 2.494 14.369 -0.594 424 HB THR 57 HB THR 57 1.164 16.275 -0.753 425 HG1 THR 57 HG1 THR 57 -0.207 16.124 0.901 426 HG21 THR 57 3HG2 THR 57 -1.007 14.446 -1.808 427 HG22 THR 57 1HG2 THR 57 -0.076 15.631 -2.726 428 HG23 THR 57 2HG2 THR 57 -1.232 16.170 -1.508 429 H MET 58 H MET 58 1.041 11.842 -1.880 430 HA MET 58 HA MET 58 -0.549 10.874 0.382 431 HB2 MET 58 1HB MET 58 -1.044 10.275 -1.997 432 HB3 MET 58 2HB MET 58 0.465 9.360 -2.035 433 HG2 MET 58 1HG MET 58 -0.353 7.973 -0.150 434 HG3 MET 58 2HG MET 58 -1.875 8.861 -0.180 435 HE1 MET 58 3HE MET 58 -2.437 9.133 -3.560 436 HE2 MET 58 1HE MET 58 -3.277 9.181 -2.003 437 HE3 MET 58 2HE MET 58 -3.702 7.960 -3.198 438 H LYS 59 H LYS 59 0.060 9.307 1.851 439 HA LYS 59 HA LYS 59 2.932 8.420 1.826 440 HB2 LYS 59 1HB LYS 59 1.209 9.255 4.175 441 HB3 LYS 59 2HB LYS 59 2.790 8.486 4.330 442 HG2 LYS 59 1HG LYS 59 3.759 10.340 2.944 443 HG3 LYS 59 2HG LYS 59 2.190 11.138 2.990 444 HD2 LYS 59 1HD LYS 59 3.722 10.341 5.478 445 HD3 LYS 59 2HD LYS 59 3.846 11.935 4.738 446 HE2 LYS 59 1HE LYS 59 1.278 12.037 4.928 447 HE3 LYS 59 2HE LYS 59 1.426 10.652 6.012 448 HZ1 LYS 59 3HZ LYS 59 1.884 13.366 6.567 449 HZ2 LYS 59 1HZ LYS 59 3.338 12.518 6.774 450 HZ3 LYS 59 2HZ LYS 59 1.950 12.039 7.628 451 H VAL 60 H VAL 60 3.246 6.257 2.266 452 HA VAL 60 HA VAL 60 0.783 4.575 2.645 453 HB VAL 60 HB VAL 60 3.402 4.039 1.217 454 HG11 VAL 60 1HG1 VAL 60 1.203 2.149 2.073 455 HG12 VAL 60 2HG1 VAL 60 2.941 1.986 2.321 456 HG13 VAL 60 3HG1 VAL 60 2.258 1.787 0.707 457 HG21 VAL 60 3HG2 VAL 60 0.498 4.131 0.350 458 HG22 VAL 60 1HG2 VAL 60 1.819 3.590 -0.684 459 HG23 VAL 60 2HG2 VAL 60 1.774 5.257 -0.110 460 H GLN 61 H GLN 61 0.698 3.385 4.481 461 HA GLN 61 HA GLN 61 3.250 2.841 5.974 462 HB2 GLN 61 1HB GLN 61 0.597 3.804 7.088 463 HB3 GLN 61 2HB GLN 61 1.919 3.186 8.082 464 HG2 GLN 61 1HG GLN 61 3.408 4.941 7.231 465 HG3 GLN 61 2HG GLN 61 2.124 5.546 6.186 466 HE21 GLN 61 2HE2 GLN 61 3.567 6.022 9.190 467 HE22 GLN 61 1HE2 GLN 61 2.296 6.842 9.963 468 H VAL 62 H VAL 62 3.476 0.720 6.420 469 HA VAL 62 HA VAL 62 1.254 -1.124 5.808 470 HB VAL 62 HB VAL 62 4.088 -1.698 6.726 471 HG11 VAL 62 1HG1 VAL 62 2.550 -3.560 7.151 472 HG12 VAL 62 2HG1 VAL 62 3.612 -3.959 5.804 473 HG13 VAL 62 3HG1 VAL 62 1.948 -3.463 5.498 474 HG21 VAL 62 3HG2 VAL 62 4.252 -0.604 4.616 475 HG22 VAL 62 1HG2 VAL 62 2.821 -1.425 3.993 476 HG23 VAL 62 2HG2 VAL 62 4.317 -2.327 4.242 477 H PHE 63 H PHE 63 0.045 -2.151 7.343 478 HA PHE 63 HA PHE 63 0.916 -1.946 10.208 479 HB2 PHE 63 1HB PHE 63 -1.748 -1.306 8.956 480 HB3 PHE 63 2HB PHE 63 -1.673 -1.859 10.631 481 HD1 PHE 63 HD2 PHE 63 -0.265 -0.616 12.289 482 HD2 PHE 63 HD1 PHE 63 -1.101 0.922 8.363 483 HE1 PHE 63 HE2 PHE 63 0.399 1.654 13.037 484 HE2 PHE 63 HE1 PHE 63 -0.434 3.192 9.112 485 HZ PHE 63 HZ PHE 63 0.315 3.557 11.448 486 H LYS 64 H LYS 64 0.491 -3.684 11.490 487 HA LYS 64 HA LYS 64 -0.954 -6.017 10.359 488 HB2 LYS 64 1HB LYS 64 1.459 -6.296 9.762 489 HB3 LYS 64 2HB LYS 64 1.865 -6.197 11.475 490 HG2 LYS 64 1HG LYS 64 0.541 -8.182 11.953 491 HG3 LYS 64 2HG LYS 64 -0.022 -8.247 10.282 492 HD2 LYS 64 1HD LYS 64 2.307 -8.572 9.515 493 HD3 LYS 64 2HD LYS 64 2.857 -8.540 11.192 494 HE2 LYS 64 1HE LYS 64 0.812 -10.510 10.136 495 HE3 LYS 64 2HE LYS 64 2.537 -10.862 10.255 496 HZ1 LYS 64 3HZ LYS 64 0.575 -10.939 12.280 497 HZ2 LYS 64 1HZ LYS 64 1.756 -9.794 12.695 498 HZ3 LYS 64 2HZ LYS 64 2.208 -11.399 12.362 499 H GLY 65 H GLY 65 -2.527 -5.679 11.970 500 HA2 GLY 65 1HA GLY 65 -3.456 -6.223 14.073 501 HA3 GLY 65 2HA GLY 65 -1.855 -6.737 14.607 502 H ASP 66 H ASP 66 -1.480 -5.581 16.440 503 HA ASP 66 HA ASP 66 -2.212 -2.698 16.552 504 HB2 ASP 66 1HB ASP 66 -1.580 -2.930 18.963 505 HB3 ASP 66 2HB ASP 66 -2.854 -4.049 18.477 506 H THR 67 H THR 67 0.304 -4.303 15.325 507 HA THR 67 HA THR 67 2.329 -2.301 16.287 508 HB THR 67 HB THR 67 2.785 -5.187 15.477 509 HG1 THR 67 HG1 THR 67 3.566 -4.224 17.934 510 HG21 THR 67 3HG2 THR 67 4.648 -2.917 16.187 511 HG22 THR 67 1HG2 THR 67 4.687 -3.959 14.764 512 HG23 THR 67 2HG2 THR 67 5.131 -4.606 16.342 513 H CYS 68 H CYS 68 3.288 -1.135 14.708 514 HA CYS 68 HA CYS 68 2.393 -1.475 11.947 515 HB2 CYS 68 1HB CYS 68 2.624 0.780 12.706 516 HB3 CYS 68 2HB CYS 68 4.248 0.475 13.323 517 HG CYS 68 HG CYS 68 5.150 0.974 11.078 518 H VAL 69 H VAL 69 3.445 -2.638 10.423 519 HA VAL 69 HA VAL 69 5.825 -4.133 11.011 520 HB VAL 69 HB VAL 69 4.552 -3.479 8.337 521 HG11 VAL 69 1HG1 VAL 69 6.685 -5.446 9.182 522 HG12 VAL 69 2HG1 VAL 69 6.752 -4.255 7.882 523 HG13 VAL 69 3HG1 VAL 69 5.726 -5.682 7.720 524 HG21 VAL 69 3HG2 VAL 69 4.286 -5.937 10.095 525 HG22 VAL 69 1HG2 VAL 69 3.420 -5.618 8.592 526 HG23 VAL 69 2HG2 VAL 69 3.093 -4.639 10.023 527 H SER 70 H SER 70 5.288 -1.198 9.039 528 HA SER 70 HA SER 70 7.654 0.126 9.693 529 HB2 SER 70 1HB SER 70 8.059 -2.045 7.693 530 HB3 SER 70 2HB SER 70 8.864 -0.514 7.359 531 HG SER 70 HG SER 70 10.087 -0.769 9.084 532 H THR 71 H THR 71 8.357 1.650 7.765 533 HA THR 71 HA THR 71 5.878 2.489 6.287 534 HB THR 71 HB THR 71 8.146 4.171 7.398 535 HG1 THR 71 HG1 THR 71 6.540 4.935 8.754 536 HG21 THR 71 3HG2 THR 71 6.554 6.051 6.645 537 HG22 THR 71 1HG2 THR 71 5.784 4.828 5.634 538 HG23 THR 71 2HG2 THR 71 7.483 5.235 5.388 539 H MET 72 H MET 72 6.066 2.532 4.112 540 HA MET 72 HA MET 72 8.433 1.592 2.794 541 HB2 MET 72 1HB MET 72 5.936 2.954 1.761 542 HB3 MET 72 2HB MET 72 7.198 2.319 0.703 543 HG2 MET 72 1HG MET 72 6.915 0.083 1.709 544 HG3 MET 72 2HG MET 72 5.649 0.715 2.761 545 HE1 MET 72 3HE MET 72 3.380 -0.825 1.728 546 HE2 MET 72 1HE MET 72 5.004 -1.527 1.690 547 HE3 MET 72 2HE MET 72 3.957 -1.644 0.279 548 H ASP 73 H ASP 73 10.178 2.965 3.340 549 HA ASP 73 HA ASP 73 9.990 5.842 2.632 550 HB2 ASP 73 1HB ASP 73 12.287 5.942 3.603 551 HB3 ASP 73 2HB ASP 73 11.102 5.288 4.737 552 H ASN 74 H ASN 74 11.184 2.848 1.359 553 HA ASN 74 HA ASN 74 13.014 4.182 -0.548 554 HB2 ASN 74 1HB ASN 74 12.276 1.300 -0.010 555 HB3 ASN 74 2HB ASN 74 13.286 1.771 -1.380 556 HD21 ASN 74 2HD2 ASN 74 13.998 0.258 1.195 557 HD22 ASN 74 1HD2 ASN 74 15.303 1.129 1.843 558 H ASN 75 H ASN 75 12.015 5.189 -2.208 559 HA ASN 75 HA ASN 75 9.420 4.372 -3.212 560 HB2 ASN 75 1HB ASN 75 9.681 6.180 -4.799 561 HB3 ASN 75 2HB ASN 75 10.291 6.735 -3.240 562 HD21 ASN 75 2HD2 ASN 75 11.202 7.956 -5.647 563 HD22 ASN 75 1HD2 ASN 75 12.835 7.553 -5.878 564 H ASP 76 H ASP 76 12.647 3.411 -3.840 565 HA ASP 76 HA ASP 76 12.000 2.355 -6.546 566 HB2 ASP 76 1HB ASP 76 14.424 1.712 -6.544 567 HB3 ASP 76 2HB ASP 76 14.164 3.442 -6.315 568 H ALA 77 H ALA 77 11.549 1.378 -3.432 569 HA ALA 77 HA ALA 77 12.481 -1.377 -3.614 570 HB1 ALA 77 3HB ALA 77 10.890 -1.612 -1.571 571 HB2 ALA 77 1HB ALA 77 10.721 0.140 -1.694 572 HB3 ALA 77 2HB ALA 77 12.305 -0.576 -1.405 573 H GLN 78 H GLN 78 11.140 -3.241 -3.835 574 HA GLN 78 HA GLN 78 8.888 -2.854 -5.683 575 HB2 GLN 78 1HB GLN 78 10.229 -5.328 -4.560 576 HB3 GLN 78 2HB GLN 78 8.885 -5.376 -5.703 577 HG2 GLN 78 1HG GLN 78 10.187 -4.112 -7.340 578 HG3 GLN 78 2HG GLN 78 11.519 -3.958 -6.194 579 HE21 GLN 78 2HE2 GLN 78 11.226 -5.450 -8.900 580 HE22 GLN 78 1HE2 GLN 78 11.793 -7.014 -8.553 581 H LEU 79 H LEU 79 6.797 -3.878 -5.304 582 HA LEU 79 HA LEU 79 5.672 -3.226 -2.764 583 HB2 LEU 79 1HB LEU 79 4.314 -3.282 -4.802 584 HB3 LEU 79 2HB LEU 79 4.608 -5.010 -4.974 585 HG LEU 79 HG LEU 79 3.404 -5.465 -2.896 586 HD11 LEU 79 1HD1 LEU 79 3.783 -3.652 -1.458 587 HD12 LEU 79 2HD1 LEU 79 2.109 -3.381 -1.939 588 HD13 LEU 79 3HD1 LEU 79 3.406 -2.457 -2.697 589 HD21 LEU 79 3HD2 LEU 79 1.964 -3.625 -4.825 590 HD22 LEU 79 1HD2 LEU 79 1.144 -4.601 -3.608 591 HD23 LEU 79 2HD2 LEU 79 2.054 -5.386 -4.898 592 H GLY 80 H GLY 80 6.675 -6.356 -4.161 593 HA2 GLY 80 1HA GLY 80 5.751 -7.889 -1.889 594 HA3 GLY 80 2HA GLY 80 6.875 -8.458 -3.121 595 H TYR 81 H TYR 81 8.349 -5.751 -2.239 596 HA TYR 81 HA TYR 81 10.368 -7.051 -0.684 597 HB2 TYR 81 1HB TYR 81 10.713 -4.965 -2.037 598 HB3 TYR 81 2HB TYR 81 9.793 -4.079 -0.820 599 HD1 TYR 81 HD1 TYR 81 10.676 -3.788 1.469 600 HD2 TYR 81 HD2 TYR 81 12.942 -5.786 -1.583 601 HE1 TYR 81 HE1 TYR 81 12.724 -3.572 2.850 602 HE2 TYR 81 HE2 TYR 81 14.991 -5.571 -0.202 603 HH TYR 81 HH TYR 81 15.889 -4.533 1.599 604 H TYR 82 H TYR 82 7.715 -4.852 0.254 605 HA TYR 82 HA TYR 82 8.255 -5.484 3.133 606 HB2 TYR 82 1HB TYR 82 6.534 -3.333 1.858 607 HB3 TYR 82 2HB TYR 82 6.770 -3.551 3.592 608 HD1 TYR 82 HD2 TYR 82 9.225 -3.554 4.452 609 HD2 TYR 82 HD1 TYR 82 8.031 -1.986 0.634 610 HE1 TYR 82 HE2 TYR 82 11.313 -2.219 4.347 611 HE2 TYR 82 HE1 TYR 82 10.119 -0.653 0.530 612 HH TYR 82 HH TYR 82 12.669 -1.039 2.924 613 H ALA 83 H ALA 83 5.852 -5.731 0.580 614 HA ALA 83 HA ALA 83 3.928 -7.024 2.476 615 HB1 ALA 83 3HB ALA 83 3.519 -6.074 -0.376 616 HB2 ALA 83 1HB ALA 83 3.056 -5.172 1.068 617 HB3 ALA 83 2HB ALA 83 2.267 -6.705 0.695 618 H ASN 84 H ASN 84 5.670 -8.830 2.335 619 HA ASN 84 HA ASN 84 5.484 -10.454 -0.141 620 HB2 ASN 84 1HB ASN 84 7.674 -10.165 1.023 621 HB3 ASN 84 2HB ASN 84 7.001 -10.975 2.438 622 HD21 ASN 84 2HD2 ASN 84 7.513 -11.536 -1.091 623 HD22 ASN 84 1HD2 ASN 84 7.758 -13.209 -0.937 624 H SER 85 H SER 85 3.550 -10.033 2.479 625 HA SER 85 HA SER 85 2.554 -12.857 2.348 626 HB2 SER 85 1HB SER 85 3.032 -11.197 4.831 627 HB3 SER 85 2HB SER 85 2.037 -12.651 4.816 628 HG SER 85 HG SER 85 3.786 -13.817 4.712 629 H ASP 86 H ASP 86 0.289 -13.060 2.609 630 HA ASP 86 HA ASP 86 -1.233 -10.643 1.905 631 HB2 ASP 86 1HB ASP 86 -3.118 -12.212 1.631 632 HB3 ASP 86 2HB ASP 86 -1.692 -12.779 0.762 633 H GLY 87 H GLY 87 -3.424 -10.363 3.040 634 HA2 GLY 87 1HA GLY 87 -4.742 -10.260 5.023 635 HA3 GLY 87 2HA GLY 87 -3.478 -11.132 5.886 636 H LEU 88 H LEU 88 -1.861 -8.821 4.246 637 HA LEU 88 HA LEU 88 -1.479 -7.188 6.629 638 HB2 LEU 88 1HB LEU 88 -0.465 -6.773 3.802 639 HB3 LEU 88 2HB LEU 88 0.143 -5.970 5.250 640 HG LEU 88 HG LEU 88 0.192 -8.966 4.770 641 HD11 LEU 88 1HD1 LEU 88 2.534 -8.731 4.338 642 HD12 LEU 88 2HD1 LEU 88 2.525 -7.041 4.844 643 HD13 LEU 88 3HD1 LEU 88 1.731 -7.516 3.343 644 HD21 LEU 88 3HD2 LEU 88 1.892 -8.677 6.774 645 HD22 LEU 88 1HD2 LEU 88 0.164 -8.737 7.104 646 HD23 LEU 88 2HD2 LEU 88 1.003 -7.185 7.067 647 H ARG 89 H ARG 89 -1.917 -4.917 6.785 648 HA ARG 89 HA ARG 89 -4.129 -3.959 4.982 649 HB2 ARG 89 1HB ARG 89 -4.876 -4.414 7.308 650 HB3 ARG 89 2HB ARG 89 -3.656 -3.290 7.903 651 HG2 ARG 89 1HG ARG 89 -4.699 -1.446 6.702 652 HG3 ARG 89 2HG ARG 89 -5.855 -2.548 5.951 653 HD2 ARG 89 1HD ARG 89 -5.610 -2.145 8.945 654 HD3 ARG 89 2HD ARG 89 -6.780 -1.298 7.933 655 HE ARG 89 HE ARG 89 -7.049 -4.086 7.442 656 HH11 ARG 89 1HH2 ARG 89 -7.465 -1.719 9.914 657 HH12 ARG 89 2HH2 ARG 89 -8.747 -2.576 10.704 658 HH21 ARG 89 1HH1 ARG 89 -8.718 -5.219 8.457 659 HH22 ARG 89 2HH1 ARG 89 -9.455 -4.559 9.879 660 H LEU 90 H LEU 90 -3.710 -2.116 3.912 661 HA LEU 90 HA LEU 90 -1.266 -0.548 4.643 662 HB2 LEU 90 1HB LEU 90 -2.856 -0.567 2.059 663 HB3 LEU 90 2HB LEU 90 -1.321 0.259 2.336 664 HG LEU 90 HG LEU 90 -1.755 -2.739 2.498 665 HD11 LEU 90 1HD1 LEU 90 -0.303 -1.057 0.434 666 HD12 LEU 90 2HD1 LEU 90 -1.871 -1.830 0.196 667 HD13 LEU 90 3HD1 LEU 90 -0.427 -2.816 0.435 668 HD21 LEU 90 3HD2 LEU 90 0.874 -2.570 2.425 669 HD22 LEU 90 1HD2 LEU 90 0.039 -2.322 3.955 670 HD23 LEU 90 2HD2 LEU 90 0.607 -0.934 3.025 671 H HIS 91 H HIS 91 -1.521 1.490 5.389 672 HA HIS 91 HA HIS 91 -4.268 2.698 5.302 673 HB2 HIS 91 1HB HIS 91 -3.298 2.176 7.565 674 HB3 HIS 91 2HB HIS 91 -2.006 3.325 7.217 675 HD1 HIS 91 HD1 HIS 91 -5.810 3.433 6.846 676 HD2 HIS 91 HD2 HIS 91 -2.677 5.756 8.316 677 HE1 HIS 91 HE1 HIS 91 -6.851 5.574 7.709 678 H VAL 92 H VAL 92 -4.439 4.334 3.891 679 HA VAL 92 HA VAL 92 -2.002 5.758 2.967 680 HB VAL 92 HB VAL 92 -4.861 6.021 1.995 681 HG11 VAL 92 1HG1 VAL 92 -3.470 7.880 1.321 682 HG12 VAL 92 2HG1 VAL 92 -3.663 6.820 -0.075 683 HG13 VAL 92 3HG1 VAL 92 -2.163 6.791 0.853 684 HG21 VAL 92 3HG2 VAL 92 -4.079 3.693 1.775 685 HG22 VAL 92 1HG2 VAL 92 -2.608 4.257 0.982 686 HG23 VAL 92 2HG2 VAL 92 -4.170 4.467 0.193 687 H VAL 93 H VAL 93 -1.533 7.776 3.697 688 HA VAL 93 HA VAL 93 -3.665 9.300 5.174 689 HB VAL 93 HB VAL 93 -0.659 9.365 5.580 690 HG11 VAL 93 1HG1 VAL 93 -2.976 10.745 6.956 691 HG12 VAL 93 2HG1 VAL 93 -1.613 11.501 6.132 692 HG13 VAL 93 3HG1 VAL 93 -1.359 10.648 7.654 693 HG21 VAL 93 3HG2 VAL 93 -1.325 8.335 7.817 694 HG22 VAL 93 1HG2 VAL 93 -1.477 7.274 6.417 695 HG23 VAL 93 2HG2 VAL 93 -2.912 8.036 7.105 696 H ASP 94 H ASP 94 -4.251 11.121 4.134 697 HA ASP 94 HA ASP 94 -2.464 12.224 2.014 698 HB2 ASP 94 1HB ASP 94 -4.800 11.654 1.403 699 HB3 ASP 94 2HB ASP 94 -5.379 12.802 2.609 700 H SER 95 H SER 95 -1.112 13.742 2.828 701 HA SER 95 HA SER 95 -1.886 16.288 3.641 702 HB2 SER 95 1HB SER 95 -2.864 15.721 5.676 703 HB3 SER 95 2HB SER 95 -1.816 14.323 5.903 704 HG SER 95 HG SER 95 -1.172 15.953 7.298 Start of MODEL 6 1 H1 MET 1 1H MET 1 -9.585 -36.099 2.095 2 H2 MET 1 2H MET 1 -9.619 -36.011 3.791 3 H3 MET 1 3H MET 1 -8.132 -36.055 2.970 4 HA MET 1 HA MET 1 -10.074 -33.841 3.159 5 HB2 MET 1 1HB MET 1 -7.064 -34.083 3.500 6 HB3 MET 1 2HB MET 1 -7.991 -32.596 3.702 7 HG2 MET 1 1HG MET 1 -8.449 -35.131 5.299 8 HG3 MET 1 2HG MET 1 -7.523 -33.748 5.873 9 HE1 MET 1 3HE MET 1 -9.483 -31.105 4.792 10 HE2 MET 1 1HE MET 1 -8.209 -31.537 5.939 11 HE3 MET 1 2HE MET 1 -9.775 -30.989 6.524 12 H GLY 2 H GLY 2 -8.269 -35.645 0.926 13 HA2 GLY 2 1HA GLY 2 -8.123 -35.297 -1.414 14 HA3 GLY 2 2HA GLY 2 -8.810 -33.688 -1.189 15 H HIS 3 H HIS 3 -6.300 -34.223 0.988 16 HA HIS 3 HA HIS 3 -4.582 -32.321 -0.428 17 HB2 HIS 3 1HB HIS 3 -4.408 -33.748 2.231 18 HB3 HIS 3 2HB HIS 3 -3.077 -32.765 1.621 19 HD1 HIS 3 HD1 HIS 3 -3.491 -31.021 3.553 20 HD2 HIS 3 HD2 HIS 3 -6.682 -31.457 0.908 21 HE1 HIS 3 HE1 HIS 3 -5.031 -29.053 3.958 22 H HIS 4 H HIS 4 -2.541 -32.765 -1.302 23 HA HIS 4 HA HIS 4 -1.526 -35.543 -1.240 24 HB2 HIS 4 1HB HIS 4 -1.337 -35.569 -3.749 25 HB3 HIS 4 2HB HIS 4 -2.996 -35.643 -3.158 26 HD1 HIS 4 HD1 HIS 4 -1.004 -33.900 -5.558 27 HD2 HIS 4 HD2 HIS 4 -4.118 -32.788 -3.020 28 HE1 HIS 4 HE1 HIS 4 -1.967 -31.756 -6.502 29 H HIS 5 H HIS 5 0.646 -35.655 -2.320 30 HA HIS 5 HA HIS 5 2.289 -33.448 -1.430 31 HB2 HIS 5 1HB HIS 5 2.933 -35.902 -3.085 32 HB3 HIS 5 2HB HIS 5 4.143 -34.783 -2.457 33 HD1 HIS 5 HD1 HIS 5 3.828 -34.371 0.298 34 HD2 HIS 5 HD2 HIS 5 2.424 -37.950 -1.311 35 HE1 HIS 5 HE1 HIS 5 3.601 -35.985 2.235 36 H HIS 6 H HIS 6 3.329 -31.880 -2.647 37 HA HIS 6 HA HIS 6 3.135 -31.918 -5.589 38 HB2 HIS 6 1HB HIS 6 2.121 -29.625 -5.633 39 HB3 HIS 6 2HB HIS 6 1.022 -30.864 -5.028 40 HD1 HIS 6 HD1 HIS 6 0.788 -31.003 -2.356 41 HD2 HIS 6 HD2 HIS 6 2.640 -27.567 -3.819 42 HE1 HIS 6 HE1 HIS 6 0.738 -29.307 -0.476 43 H HIS 7 H HIS 7 4.367 -30.022 -6.513 44 HA HIS 7 HA HIS 7 6.476 -29.015 -4.631 45 HB2 HIS 7 1HB HIS 7 7.259 -30.956 -6.057 46 HB3 HIS 7 2HB HIS 7 6.985 -29.938 -7.472 47 HD1 HIS 7 HD1 HIS 7 8.666 -28.086 -7.948 48 HD2 HIS 7 HD2 HIS 7 9.374 -30.006 -4.317 49 HE1 HIS 7 HE1 HIS 7 10.912 -27.256 -7.126 50 H HIS 8 H HIS 8 6.756 -26.859 -4.779 51 HA HIS 8 HA HIS 8 5.121 -25.296 -6.593 52 HB2 HIS 8 1HB HIS 8 7.340 -24.484 -4.694 53 HB3 HIS 8 2HB HIS 8 6.259 -23.360 -5.519 54 HD1 HIS 8 HD1 HIS 8 3.602 -23.803 -5.017 55 HD2 HIS 8 HD2 HIS 8 6.305 -25.464 -2.314 56 HE1 HIS 8 HE1 HIS 8 2.278 -24.360 -2.932 57 H SER 9 H SER 9 5.764 -24.137 -8.406 58 HA SER 9 HA SER 9 8.294 -25.000 -9.663 59 HB2 SER 9 1HB SER 9 7.401 -24.039 -11.680 60 HB3 SER 9 2HB SER 9 6.076 -24.891 -10.891 61 HG SER 9 HG SER 9 5.108 -23.047 -10.549 62 H HIS 10 H HIS 10 9.587 -23.778 -8.010 63 HA HIS 10 HA HIS 10 10.832 -21.912 -7.334 64 HB2 HIS 10 1HB HIS 10 10.308 -21.251 -10.242 65 HB3 HIS 10 2HB HIS 10 11.403 -20.324 -9.216 66 HD1 HIS 10 HD1 HIS 10 10.954 -23.789 -10.672 67 HD2 HIS 10 HD2 HIS 10 13.892 -21.545 -8.744 68 HE1 HIS 10 HE1 HIS 10 13.092 -25.141 -10.804 69 H GLY 11 H GLY 11 7.645 -21.779 -7.686 70 HA2 GLY 11 1HA GLY 11 5.992 -20.202 -7.148 71 HA3 GLY 11 2HA GLY 11 7.239 -19.459 -6.148 72 H LYS 12 H LYS 12 6.014 -19.584 -9.481 73 HA LYS 12 HA LYS 12 7.377 -17.024 -10.111 74 HB2 LYS 12 1HB LYS 12 5.667 -18.891 -11.777 75 HB3 LYS 12 2HB LYS 12 6.376 -17.395 -12.386 76 HG2 LYS 12 1HG LYS 12 8.632 -18.256 -11.731 77 HG3 LYS 12 2HG LYS 12 7.881 -19.787 -11.288 78 HD2 LYS 12 1HD LYS 12 7.651 -18.543 -14.042 79 HD3 LYS 12 2HD LYS 12 8.872 -19.741 -13.616 80 HE2 LYS 12 1HE LYS 12 6.890 -21.211 -12.840 81 HE3 LYS 12 2HE LYS 12 5.875 -20.085 -13.742 82 HZ1 LYS 12 3HZ LYS 12 6.990 -22.210 -14.842 83 HZ2 LYS 12 1HZ LYS 12 8.233 -21.089 -15.111 84 HZ3 LYS 12 2HZ LYS 12 6.672 -20.783 -15.709 85 H SER 13 H SER 13 4.513 -18.043 -8.708 86 HA SER 13 HA SER 13 2.638 -16.204 -9.881 87 HB2 SER 13 1HB SER 13 2.689 -17.497 -7.141 88 HB3 SER 13 2HB SER 13 1.315 -16.612 -7.798 89 HG SER 13 HG SER 13 1.782 -18.208 -9.677 90 H ASP 14 H ASP 14 2.021 -14.130 -9.185 91 HA ASP 14 HA ASP 14 3.806 -12.770 -7.177 92 HB2 ASP 14 1HB ASP 14 2.890 -11.798 -9.910 93 HB3 ASP 14 2HB ASP 14 3.602 -10.732 -8.707 94 H PHE 15 H PHE 15 1.041 -13.686 -6.512 95 HA PHE 15 HA PHE 15 -0.156 -10.928 -6.357 96 HB2 PHE 15 1HB PHE 15 -1.622 -13.399 -7.294 97 HB3 PHE 15 2HB PHE 15 -2.336 -11.797 -7.045 98 HD1 PHE 15 HD2 PHE 15 0.010 -13.776 -9.111 99 HD2 PHE 15 HD1 PHE 15 -1.813 -9.931 -8.519 100 HE1 PHE 15 HE2 PHE 15 0.828 -13.046 -11.337 101 HE2 PHE 15 HE1 PHE 15 -0.994 -9.202 -10.742 102 HZ PHE 15 HZ PHE 15 0.331 -10.757 -12.151 103 H ILE 16 H ILE 16 -0.899 -10.367 -4.571 104 HA ILE 16 HA ILE 16 -1.788 -12.309 -2.508 105 HB ILE 16 HB ILE 16 -0.632 -10.878 -0.803 106 HG12 ILE 16 1HG1 ILE 16 0.780 -9.672 -3.205 107 HG13 ILE 16 2HG1 ILE 16 -0.486 -8.841 -2.302 108 HG21 ILE 16 1HG2 ILE 16 1.661 -11.708 -1.349 109 HG22 ILE 16 2HG2 ILE 16 1.087 -12.120 -2.964 110 HG23 ILE 16 3HG2 ILE 16 0.417 -12.940 -1.556 111 HD11 ILE 16 3HD1 ILE 16 2.181 -9.797 -1.226 112 HD12 ILE 16 1HD1 ILE 16 0.889 -9.139 -0.222 113 HD13 ILE 16 2HD1 ILE 16 1.665 -8.123 -1.437 114 H LYS 17 H LYS 17 -3.338 -11.324 -1.050 115 HA LYS 17 HA LYS 17 -4.686 -8.908 -2.225 116 HB2 LYS 17 1HB LYS 17 -5.726 -11.260 -0.625 117 HB3 LYS 17 2HB LYS 17 -6.696 -9.848 -1.035 118 HG2 LYS 17 1HG LYS 17 -6.312 -10.264 -3.433 119 HG3 LYS 17 2HG LYS 17 -5.318 -11.665 -3.032 120 HD2 LYS 17 1HD LYS 17 -7.272 -12.697 -1.895 121 HD3 LYS 17 2HD LYS 17 -8.259 -11.321 -2.384 122 HE2 LYS 17 1HE LYS 17 -6.799 -13.182 -4.281 123 HE3 LYS 17 2HE LYS 17 -8.528 -13.225 -3.943 124 HZ1 LYS 17 3HZ LYS 17 -8.603 -10.865 -4.690 125 HZ2 LYS 17 1HZ LYS 17 -8.216 -11.973 -5.914 126 HZ3 LYS 17 2HZ LYS 17 -6.994 -11.026 -5.210 127 H VAL 18 H VAL 18 -4.903 -7.141 -0.924 128 HA VAL 18 HA VAL 18 -4.460 -7.434 2.015 129 HB VAL 18 HB VAL 18 -3.022 -5.402 1.976 130 HG11 VAL 18 1HG1 VAL 18 -1.947 -7.580 0.164 131 HG12 VAL 18 2HG1 VAL 18 -2.106 -7.760 1.911 132 HG13 VAL 18 3HG1 VAL 18 -1.023 -6.538 1.245 133 HG21 VAL 18 3HG2 VAL 18 -2.056 -4.735 -0.233 134 HG22 VAL 18 1HG2 VAL 18 -3.787 -4.416 -0.118 135 HG23 VAL 18 2HG2 VAL 18 -3.207 -5.813 -1.025 136 H ASN 19 H ASN 19 -5.135 -5.392 3.158 137 HA ASN 19 HA ASN 19 -7.612 -4.331 1.876 138 HB2 ASN 19 1HB ASN 19 -6.653 -4.439 4.745 139 HB3 ASN 19 2HB ASN 19 -8.120 -3.593 4.242 140 HD21 ASN 19 2HD2 ASN 19 -7.789 -6.113 5.928 141 HD22 ASN 19 1HD2 ASN 19 -8.745 -7.278 5.144 142 H VAL 20 H VAL 20 -7.941 -2.111 1.648 143 HA VAL 20 HA VAL 20 -5.608 -0.331 2.317 144 HB VAL 20 HB VAL 20 -7.381 -0.293 -0.141 145 HG11 VAL 20 1HG1 VAL 20 -5.698 1.517 -0.819 146 HG12 VAL 20 2HG1 VAL 20 -5.255 1.591 0.884 147 HG13 VAL 20 3HG1 VAL 20 -6.902 1.976 0.384 148 HG21 VAL 20 3HG2 VAL 20 -5.285 -0.801 -1.332 149 HG22 VAL 20 1HG2 VAL 20 -5.640 -2.051 -0.140 150 HG23 VAL 20 2HG2 VAL 20 -4.414 -0.831 0.202 151 H SER 21 H SER 21 -6.154 1.486 3.423 152 HA SER 21 HA SER 21 -9.020 2.354 3.485 153 HB2 SER 21 1HB SER 21 -8.678 1.046 5.509 154 HB3 SER 21 2HB SER 21 -7.190 1.916 5.864 155 HG SER 21 HG SER 21 -9.724 3.160 5.589 156 H ASN 22 H ASN 22 -9.210 4.616 4.316 157 HA ASN 22 HA ASN 22 -6.705 6.225 3.975 158 HB2 ASN 22 1HB ASN 22 -8.082 6.199 1.863 159 HB3 ASN 22 2HB ASN 22 -9.388 6.954 2.778 160 HD21 ASN 22 2HD2 ASN 22 -7.989 8.234 0.548 161 HD22 ASN 22 1HD2 ASN 22 -7.199 9.599 1.173 162 H SER 23 H SER 23 -6.598 8.043 5.269 163 HA SER 23 HA SER 23 -8.318 8.082 7.611 164 HB2 SER 23 1HB SER 23 -6.182 10.011 6.663 165 HB3 SER 23 2HB SER 23 -6.954 10.070 8.245 166 HG SER 23 HG SER 23 -6.120 7.577 7.728 167 H HIS 24 H HIS 24 -7.553 10.795 5.414 168 HA HIS 24 HA HIS 24 -9.802 12.361 6.126 169 HB2 HIS 24 1HB HIS 24 -8.131 12.277 3.605 170 HB3 HIS 24 2HB HIS 24 -9.407 13.467 3.857 171 HD1 HIS 24 HD1 HIS 24 -6.137 12.307 5.405 172 HD2 HIS 24 HD2 HIS 24 -8.688 15.604 5.502 173 HE1 HIS 24 HE1 HIS 24 -4.953 14.091 6.759 174 H ASN 25 H ASN 25 -9.416 10.045 3.436 175 HA ASN 25 HA ASN 25 -12.263 10.410 2.694 176 HB2 ASN 25 1HB ASN 25 -10.005 8.796 1.492 177 HB3 ASN 25 2HB ASN 25 -11.658 8.744 0.884 178 HD21 ASN 25 2HD2 ASN 25 -9.323 9.791 -0.583 179 HD22 ASN 25 1HD2 ASN 25 -9.639 11.431 -0.887 180 H ASP 26 H ASP 26 -13.802 8.768 2.842 181 HA ASP 26 HA ASP 26 -13.230 6.671 4.864 182 HB2 ASP 26 1HB ASP 26 -15.273 8.169 4.991 183 HB3 ASP 26 2HB ASP 26 -15.864 7.368 3.536 184 H ALA 27 H ALA 27 -12.839 6.889 1.632 185 HA ALA 27 HA ALA 27 -14.231 4.587 0.621 186 HB1 ALA 27 3HB ALA 27 -13.311 6.241 -0.910 187 HB2 ALA 27 1HB ALA 27 -12.532 4.689 -1.222 188 HB3 ALA 27 2HB ALA 27 -11.681 5.936 -0.311 189 H VAL 28 H VAL 28 -13.787 2.454 0.895 190 HA VAL 28 HA VAL 28 -11.050 1.646 1.818 191 HB VAL 28 HB VAL 28 -13.729 0.763 2.929 192 HG11 VAL 28 1HG1 VAL 28 -12.217 -0.697 4.412 193 HG12 VAL 28 2HG1 VAL 28 -10.965 -0.436 3.198 194 HG13 VAL 28 3HG1 VAL 28 -12.466 -1.249 2.755 195 HG21 VAL 28 3HG2 VAL 28 -12.673 2.870 3.806 196 HG22 VAL 28 1HG2 VAL 28 -11.269 1.914 4.280 197 HG23 VAL 28 2HG2 VAL 28 -12.838 1.608 5.026 198 H ALA 29 H ALA 29 -10.235 -0.055 0.682 199 HA ALA 29 HA ALA 29 -12.050 -1.444 -1.264 200 HB1 ALA 29 3HB ALA 29 -10.178 -1.715 -2.683 201 HB2 ALA 29 1HB ALA 29 -9.033 -1.413 -1.377 202 HB3 ALA 29 2HB ALA 29 -9.985 -0.085 -2.038 203 H PHE 30 H PHE 30 -12.219 -3.668 -1.167 204 HA PHE 30 HA PHE 30 -10.657 -5.068 0.986 205 HB2 PHE 30 1HB PHE 30 -13.476 -5.467 -0.036 206 HB3 PHE 30 2HB PHE 30 -12.643 -6.679 0.938 207 HD1 PHE 30 HD2 PHE 30 -11.768 -6.031 3.226 208 HD2 PHE 30 HD1 PHE 30 -14.427 -3.524 0.968 209 HE1 PHE 30 HE2 PHE 30 -12.335 -4.777 5.288 210 HE2 PHE 30 HE1 PHE 30 -14.994 -2.270 3.030 211 HZ PHE 30 HZ PHE 30 -13.949 -2.895 5.191 212 H GLU 31 H GLU 31 -9.598 -6.923 0.467 213 HA GLU 31 HA GLU 31 -8.547 -8.509 -0.868 214 HB2 GLU 31 1HB GLU 31 -11.293 -8.479 -2.136 215 HB3 GLU 31 2HB GLU 31 -10.044 -9.653 -2.548 216 HG2 GLU 31 1HG GLU 31 -9.928 -10.394 -0.216 217 HG3 GLU 31 2HG GLU 31 -11.120 -9.179 0.248 218 H VAL 32 H VAL 32 -7.587 -6.120 -1.579 219 HA VAL 32 HA VAL 32 -8.025 -5.539 -4.398 220 HB VAL 32 HB VAL 32 -6.510 -3.762 -4.067 221 HG11 VAL 32 1HG1 VAL 32 -7.198 -2.728 -1.967 222 HG12 VAL 32 2HG1 VAL 32 -7.719 -4.293 -1.349 223 HG13 VAL 32 3HG1 VAL 32 -8.566 -3.555 -2.710 224 HG21 VAL 32 3HG2 VAL 32 -5.019 -3.716 -1.974 225 HG22 VAL 32 1HG2 VAL 32 -4.548 -4.837 -3.250 226 HG23 VAL 32 2HG2 VAL 32 -5.385 -5.434 -1.818 227 H LYS 33 H LYS 33 -7.004 -6.604 -6.051 228 HA LYS 33 HA LYS 33 -4.797 -8.464 -5.377 229 HB2 LYS 33 1HB LYS 33 -6.883 -8.999 -6.857 230 HB3 LYS 33 2HB LYS 33 -6.022 -8.114 -8.115 231 HG2 LYS 33 1HG LYS 33 -4.118 -9.619 -7.933 232 HG3 LYS 33 2HG LYS 33 -4.867 -10.454 -6.571 233 HD2 LYS 33 1HD LYS 33 -6.713 -11.184 -7.994 234 HD3 LYS 33 2HD LYS 33 -6.038 -10.299 -9.361 235 HE2 LYS 33 1HE LYS 33 -5.299 -12.519 -9.693 236 HE3 LYS 33 2HE LYS 33 -3.907 -11.708 -8.976 237 HZ1 LYS 33 3HZ LYS 33 -5.144 -13.962 -8.033 238 HZ2 LYS 33 1HZ LYS 33 -5.677 -12.734 -6.993 239 HZ3 LYS 33 2HZ LYS 33 -4.013 -13.008 -7.198 240 H LEU 34 H LEU 34 -2.790 -7.595 -5.454 241 HA LEU 34 HA LEU 34 -2.086 -5.826 -7.764 242 HB2 LEU 34 1HB LEU 34 -1.291 -5.423 -4.865 243 HB3 LEU 34 2HB LEU 34 -0.671 -4.485 -6.221 244 HG LEU 34 HG LEU 34 -3.612 -4.694 -5.505 245 HD11 LEU 34 1HD1 LEU 34 -2.239 -3.560 -3.748 246 HD12 LEU 34 2HD1 LEU 34 -3.387 -2.474 -4.533 247 HD13 LEU 34 3HD1 LEU 34 -1.679 -2.419 -4.970 248 HD21 LEU 34 3HD2 LEU 34 -3.526 -2.492 -6.955 249 HD22 LEU 34 1HD2 LEU 34 -3.533 -4.054 -7.766 250 HD23 LEU 34 2HD2 LEU 34 -2.021 -3.169 -7.572 251 H ALA 35 H ALA 35 -0.216 -6.383 -8.743 252 HA ALA 35 HA ALA 35 1.021 -8.852 -8.019 253 HB1 ALA 35 3HB ALA 35 2.784 -7.989 -9.776 254 HB2 ALA 35 1HB ALA 35 1.566 -6.747 -10.068 255 HB3 ALA 35 2HB ALA 35 1.168 -8.447 -10.299 256 H LYS 36 H LYS 36 2.993 -9.273 -7.030 257 HA LYS 36 HA LYS 36 3.947 -7.283 -5.149 258 HB2 LYS 36 1HB LYS 36 5.009 -10.010 -5.939 259 HB3 LYS 36 2HB LYS 36 5.709 -9.017 -4.661 260 HG2 LYS 36 1HG LYS 36 3.599 -9.037 -3.434 261 HG3 LYS 36 2HG LYS 36 2.816 -9.916 -4.743 262 HD2 LYS 36 1HD LYS 36 3.354 -11.596 -3.164 263 HD3 LYS 36 2HD LYS 36 4.623 -11.722 -4.379 264 HE2 LYS 36 1HE LYS 36 6.183 -10.524 -2.983 265 HE3 LYS 36 2HE LYS 36 4.914 -10.093 -1.837 266 HZ1 LYS 36 3HZ LYS 36 6.087 -11.915 -0.936 267 HZ2 LYS 36 1HZ LYS 36 6.017 -12.786 -2.390 268 HZ3 LYS 36 2HZ LYS 36 4.601 -12.530 -1.485 269 H ASP 37 H ASP 37 4.603 -7.895 -8.426 270 HA ASP 37 HA ASP 37 7.400 -6.989 -8.350 271 HB2 ASP 37 1HB ASP 37 7.218 -7.106 -10.832 272 HB3 ASP 37 2HB ASP 37 6.723 -8.609 -10.055 273 H LEU 38 H LEU 38 4.537 -5.417 -7.952 274 HA LEU 38 HA LEU 38 4.976 -3.121 -9.693 275 HB2 LEU 38 1HB LEU 38 3.140 -3.586 -7.334 276 HB3 LEU 38 2HB LEU 38 3.158 -2.087 -8.257 277 HG LEU 38 HG LEU 38 2.731 -4.812 -9.511 278 HD11 LEU 38 1HD1 LEU 38 0.309 -4.069 -9.612 279 HD12 LEU 38 2HD1 LEU 38 0.735 -2.778 -8.488 280 HD13 LEU 38 3HD1 LEU 38 0.894 -4.463 -7.996 281 HD21 LEU 38 3HD2 LEU 38 3.332 -3.362 -11.257 282 HD22 LEU 38 1HD2 LEU 38 2.602 -1.956 -10.484 283 HD23 LEU 38 2HD2 LEU 38 1.585 -3.178 -11.244 284 H THR 39 H THR 39 5.829 -1.122 -9.140 285 HA THR 39 HA THR 39 7.645 -1.110 -6.824 286 HB THR 39 HB THR 39 8.452 1.018 -7.775 287 HG1 THR 39 HG1 THR 39 6.178 0.630 -9.374 288 HG21 THR 39 3HG2 THR 39 8.070 -1.244 -9.752 289 HG22 THR 39 1HG2 THR 39 9.429 -1.015 -8.651 290 HG23 THR 39 2HG2 THR 39 9.184 0.101 -9.993 291 H VAL 40 H VAL 40 7.713 0.873 -5.433 292 HA VAL 40 HA VAL 40 5.184 1.314 -4.165 293 HB VAL 40 HB VAL 40 7.809 2.810 -3.973 294 HG11 VAL 40 1HG1 VAL 40 6.136 4.318 -3.187 295 HG12 VAL 40 2HG1 VAL 40 6.817 3.566 -1.745 296 HG13 VAL 40 3HG1 VAL 40 5.257 3.028 -2.367 297 HG21 VAL 40 3HG2 VAL 40 6.568 0.877 -2.007 298 HG22 VAL 40 1HG2 VAL 40 8.233 1.457 -2.055 299 HG23 VAL 40 2HG2 VAL 40 7.650 0.344 -3.293 300 H ALA 41 H ALA 41 7.130 3.359 -6.351 301 HA ALA 41 HA ALA 41 5.460 5.654 -6.282 302 HB1 ALA 41 3HB ALA 41 7.107 4.564 -8.586 303 HB2 ALA 41 1HB ALA 41 7.681 5.669 -7.337 304 HB3 ALA 41 2HB ALA 41 6.456 6.201 -8.490 305 H GLN 42 H GLN 42 5.317 2.760 -8.339 306 HA GLN 42 HA GLN 42 3.069 3.652 -9.901 307 HB2 GLN 42 1HB GLN 42 4.142 0.887 -9.281 308 HB3 GLN 42 2HB GLN 42 2.819 1.185 -10.410 309 HG2 GLN 42 1HG GLN 42 4.263 2.612 -11.775 310 HG3 GLN 42 2HG GLN 42 5.585 2.410 -10.624 311 HE21 GLN 42 2HE2 GLN 42 6.478 1.564 -12.926 312 HE22 GLN 42 1HE2 GLN 42 6.344 -0.113 -13.153 313 H LEU 43 H LEU 43 3.391 1.839 -6.877 314 HA LEU 43 HA LEU 43 0.647 1.108 -6.599 315 HB2 LEU 43 1HB LEU 43 2.428 0.140 -5.195 316 HB3 LEU 43 2HB LEU 43 2.709 1.714 -4.455 317 HG LEU 43 HG LEU 43 0.427 1.713 -3.535 318 HD11 LEU 43 1HD1 LEU 43 -0.941 0.519 -5.007 319 HD12 LEU 43 2HD1 LEU 43 -0.746 -0.648 -3.703 320 HD13 LEU 43 3HD1 LEU 43 0.214 -0.804 -5.175 321 HD21 LEU 43 3HD2 LEU 43 2.424 0.537 -2.399 322 HD22 LEU 43 1HD2 LEU 43 1.660 -0.970 -2.907 323 HD23 LEU 43 2HD2 LEU 43 0.810 0.125 -1.818 324 H LYS 44 H LYS 44 2.445 3.986 -5.527 325 HA LYS 44 HA LYS 44 0.262 5.245 -4.180 326 HB2 LYS 44 1HB LYS 44 2.720 6.376 -5.537 327 HB3 LYS 44 2HB LYS 44 1.568 7.377 -4.651 328 HG2 LYS 44 1HG LYS 44 1.936 6.024 -2.626 329 HG3 LYS 44 2HG LYS 44 3.076 5.007 -3.508 330 HD2 LYS 44 1HD LYS 44 4.535 6.941 -3.898 331 HD3 LYS 44 2HD LYS 44 3.384 7.992 -3.070 332 HE2 LYS 44 1HE LYS 44 3.693 6.726 -0.990 333 HE3 LYS 44 2HE LYS 44 4.805 5.630 -1.805 334 HZ1 LYS 44 3HZ LYS 44 6.450 7.053 -1.471 335 HZ2 LYS 44 1HZ LYS 44 5.402 8.047 -0.583 336 HZ3 LYS 44 2HZ LYS 44 5.599 8.298 -2.252 337 H THR 45 H THR 45 1.313 5.280 -7.561 338 HA THR 45 HA THR 45 -0.497 7.277 -8.494 339 HB THR 45 HB THR 45 0.409 4.835 -10.040 340 HG1 THR 45 HG1 THR 45 2.248 6.046 -10.508 341 HG21 THR 45 3HG2 THR 45 -0.296 7.670 -10.847 342 HG22 THR 45 1HG2 THR 45 -1.254 6.224 -11.169 343 HG23 THR 45 2HG2 THR 45 0.318 6.431 -11.942 344 H LYS 46 H LYS 46 -0.839 3.730 -8.274 345 HA LYS 46 HA LYS 46 -3.503 3.623 -9.327 346 HB2 LYS 46 1HB LYS 46 -2.024 1.791 -7.413 347 HB3 LYS 46 2HB LYS 46 -3.596 1.409 -8.116 348 HG2 LYS 46 1HG LYS 46 -2.640 1.590 -10.379 349 HG3 LYS 46 2HG LYS 46 -1.067 1.987 -9.686 350 HD2 LYS 46 1HD LYS 46 -0.971 -0.188 -8.573 351 HD3 LYS 46 2HD LYS 46 -2.584 -0.586 -9.165 352 HE2 LYS 46 1HE LYS 46 -0.902 -1.643 -10.592 353 HE3 LYS 46 2HE LYS 46 -1.746 -0.388 -11.500 354 HZ1 LYS 46 3HZ LYS 46 0.325 0.924 -10.311 355 HZ2 LYS 46 1HZ LYS 46 0.261 0.426 -11.931 356 HZ3 LYS 46 2HZ LYS 46 1.013 -0.560 -10.768 357 H LEU 47 H LEU 47 -2.257 3.858 -6.006 358 HA LEU 47 HA LEU 47 -4.821 3.869 -4.718 359 HB2 LEU 47 1HB LEU 47 -2.135 4.981 -3.863 360 HB3 LEU 47 2HB LEU 47 -3.543 4.909 -2.807 361 HG LEU 47 HG LEU 47 -2.347 2.497 -4.206 362 HD11 LEU 47 1HD1 LEU 47 -2.022 3.404 -1.330 363 HD12 LEU 47 2HD1 LEU 47 -0.774 3.498 -2.571 364 HD13 LEU 47 3HD1 LEU 47 -1.365 1.926 -2.032 365 HD21 LEU 47 3HD2 LEU 47 -4.514 1.836 -3.665 366 HD22 LEU 47 1HD2 LEU 47 -4.629 2.939 -2.296 367 HD23 LEU 47 2HD2 LEU 47 -3.704 1.447 -2.153 368 H GLU 48 H GLU 48 -2.750 6.428 -6.004 369 HA GLU 48 HA GLU 48 -4.105 8.690 -5.003 370 HB2 GLU 48 1HB GLU 48 -1.966 8.703 -6.330 371 HB3 GLU 48 2HB GLU 48 -2.922 8.405 -7.781 372 HG2 GLU 48 1HG GLU 48 -4.206 10.480 -7.344 373 HG3 GLU 48 2HG GLU 48 -3.198 10.780 -5.929 374 H ILE 49 H ILE 49 -4.709 6.873 -8.013 375 HA ILE 49 HA ILE 49 -6.977 8.428 -8.826 376 HB ILE 49 HB ILE 49 -6.155 5.575 -9.438 377 HG12 ILE 49 1HG1 ILE 49 -6.027 8.066 -11.156 378 HG13 ILE 49 2HG1 ILE 49 -4.680 7.513 -10.160 379 HG21 ILE 49 1HG2 ILE 49 -8.392 7.285 -10.542 380 HG22 ILE 49 2HG2 ILE 49 -8.503 5.661 -9.867 381 HG23 ILE 49 3HG2 ILE 49 -7.725 5.915 -11.429 382 HD11 ILE 49 3HD1 ILE 49 -4.402 6.661 -12.429 383 HD12 ILE 49 1HD1 ILE 49 -6.019 5.958 -12.392 384 HD13 ILE 49 2HD1 ILE 49 -4.755 5.318 -11.341 385 H LEU 50 H LEU 50 -6.656 5.434 -6.955 386 HA LEU 50 HA LEU 50 -9.440 4.920 -6.611 387 HB2 LEU 50 1HB LEU 50 -7.644 3.279 -6.169 388 HB3 LEU 50 2HB LEU 50 -7.128 4.226 -4.780 389 HG LEU 50 HG LEU 50 -10.029 3.538 -4.775 390 HD11 LEU 50 1HD1 LEU 50 -9.236 1.444 -5.681 391 HD12 LEU 50 2HD1 LEU 50 -9.557 1.206 -3.963 392 HD13 LEU 50 3HD1 LEU 50 -7.899 1.398 -4.532 393 HD21 LEU 50 3HD2 LEU 50 -7.810 3.210 -2.724 394 HD22 LEU 50 1HD2 LEU 50 -9.538 3.051 -2.409 395 HD23 LEU 50 2HD2 LEU 50 -8.865 4.616 -2.862 396 H THR 51 H THR 51 -7.143 6.788 -4.626 397 HA THR 51 HA THR 51 -9.338 7.537 -2.772 398 HB THR 51 HB THR 51 -7.514 8.676 -1.516 399 HG1 THR 51 HG1 THR 51 -6.072 7.826 -3.783 400 HG21 THR 51 3HG2 THR 51 -6.467 6.683 -0.733 401 HG22 THR 51 1HG2 THR 51 -6.641 5.890 -2.298 402 HG23 THR 51 2HG2 THR 51 -8.062 6.186 -1.297 403 H GLY 52 H GLY 52 -7.774 8.733 -5.582 404 HA2 GLY 52 1HA GLY 52 -8.126 10.724 -6.781 405 HA3 GLY 52 2HA GLY 52 -9.470 11.057 -5.688 406 H GLY 53 H GLY 53 -6.832 10.473 -3.787 407 HA2 GLY 53 1HA GLY 53 -6.581 13.275 -3.055 408 HA3 GLY 53 2HA GLY 53 -5.682 11.940 -2.341 409 H CYS 54 H CYS 54 -3.987 13.762 -2.538 410 HA CYS 54 HA CYS 54 -2.788 13.933 -5.259 411 HB2 CYS 54 1HB CYS 54 -2.913 16.067 -4.214 412 HB3 CYS 54 2HB CYS 54 -2.354 15.431 -2.669 413 HG CYS 54 HG CYS 54 0.010 14.999 -3.933 414 H ALA 55 H ALA 55 -1.232 12.503 -5.766 415 HA ALA 55 HA ALA 55 -0.141 10.604 -3.953 416 HB1 ALA 55 3HB ALA 55 0.870 11.575 -6.639 417 HB2 ALA 55 1HB ALA 55 -0.155 10.172 -6.342 418 HB3 ALA 55 2HB ALA 55 1.518 10.172 -5.789 419 H GLY 56 H GLY 56 0.950 13.810 -4.891 420 HA2 GLY 56 1HA GLY 56 3.637 13.607 -3.933 421 HA3 GLY 56 2HA GLY 56 2.741 15.113 -4.124 422 H THR 57 H THR 57 0.597 14.362 -2.288 423 HA THR 57 HA THR 57 2.087 14.738 0.282 424 HB THR 57 HB THR 57 -0.012 15.695 1.120 425 HG1 THR 57 HG1 THR 57 -1.757 15.098 0.150 426 HG21 THR 57 3HG2 THR 57 -0.027 17.698 -0.217 427 HG22 THR 57 1HG2 THR 57 0.612 16.832 -1.614 428 HG23 THR 57 2HG2 THR 57 1.627 17.089 -0.195 429 H MET 58 H MET 58 0.490 12.334 -1.437 430 HA MET 58 HA MET 58 -0.763 11.064 0.907 431 HB2 MET 58 1HB MET 58 -1.741 10.949 -1.435 432 HB3 MET 58 2HB MET 58 -0.387 9.903 -1.848 433 HG2 MET 58 1HG MET 58 -1.066 8.223 -0.318 434 HG3 MET 58 2HG MET 58 -2.203 9.310 0.465 435 HE1 MET 58 3HE MET 58 -1.928 9.148 -3.612 436 HE2 MET 58 1HE MET 58 -2.503 7.479 -3.699 437 HE3 MET 58 2HE MET 58 -1.064 7.868 -2.762 438 H LYS 59 H LYS 59 0.267 9.704 2.221 439 HA LYS 59 HA LYS 59 2.855 8.478 1.318 440 HB2 LYS 59 1HB LYS 59 1.889 9.260 4.080 441 HB3 LYS 59 2HB LYS 59 3.382 8.370 3.765 442 HG2 LYS 59 1HG LYS 59 4.101 10.253 2.259 443 HG3 LYS 59 2HG LYS 59 2.687 11.157 2.796 444 HD2 LYS 59 1HD LYS 59 4.783 10.049 4.683 445 HD3 LYS 59 2HD LYS 59 4.812 11.695 4.054 446 HE2 LYS 59 1HE LYS 59 2.418 11.910 4.982 447 HE3 LYS 59 2HE LYS 59 2.762 10.430 5.877 448 HZ1 LYS 59 3HZ LYS 59 4.957 11.915 6.340 449 HZ2 LYS 59 1HZ LYS 59 3.627 11.799 7.386 450 HZ3 LYS 59 2HZ LYS 59 3.741 13.102 6.301 451 H VAL 60 H VAL 60 3.198 6.276 1.867 452 HA VAL 60 HA VAL 60 0.693 4.751 2.520 453 HB VAL 60 HB VAL 60 3.109 4.032 0.838 454 HG11 VAL 60 1HG1 VAL 60 0.853 2.332 1.915 455 HG12 VAL 60 2HG1 VAL 60 2.587 2.016 1.978 456 HG13 VAL 60 3HG1 VAL 60 1.724 1.889 0.445 457 HG21 VAL 60 3HG2 VAL 60 1.474 5.393 -0.329 458 HG22 VAL 60 1HG2 VAL 60 0.153 4.385 0.260 459 HG23 VAL 60 2HG2 VAL 60 1.311 3.732 -0.899 460 H GLN 61 H GLN 61 0.734 3.473 4.298 461 HA GLN 61 HA GLN 61 3.379 2.856 5.579 462 HB2 GLN 61 1HB GLN 61 0.823 3.824 6.883 463 HB3 GLN 61 2HB GLN 61 2.159 3.107 7.784 464 HG2 GLN 61 1HG GLN 61 3.677 4.849 6.961 465 HG3 GLN 61 2HG GLN 61 2.373 5.552 6.003 466 HE21 GLN 61 2HE2 GLN 61 3.947 5.815 8.972 467 HE22 GLN 61 1HE2 GLN 61 2.736 6.635 9.835 468 H VAL 62 H VAL 62 3.580 0.765 6.271 469 HA VAL 62 HA VAL 62 1.389 -1.103 5.582 470 HB VAL 62 HB VAL 62 4.156 -1.722 6.657 471 HG11 VAL 62 1HG1 VAL 62 3.730 -3.930 5.670 472 HG12 VAL 62 2HG1 VAL 62 2.156 -3.383 5.092 473 HG13 VAL 62 3HG1 VAL 62 2.458 -3.527 6.823 474 HG21 VAL 62 3HG2 VAL 62 4.844 -2.026 4.344 475 HG22 VAL 62 1HG2 VAL 62 4.197 -0.396 4.522 476 HG23 VAL 62 2HG2 VAL 62 3.216 -1.655 3.774 477 H PHE 63 H PHE 63 0.087 -2.008 7.112 478 HA PHE 63 HA PHE 63 0.917 -1.814 9.992 479 HB2 PHE 63 1HB PHE 63 -1.676 -1.028 8.673 480 HB3 PHE 63 2HB PHE 63 -1.681 -1.577 10.349 481 HD1 PHE 63 HD1 PHE 63 -0.090 -0.455 11.994 482 HD2 PHE 63 HD2 PHE 63 -1.042 1.200 8.145 483 HE1 PHE 63 HE1 PHE 63 0.682 1.773 12.761 484 HE2 PHE 63 HE2 PHE 63 -0.270 3.429 8.913 485 HZ PHE 63 HZ PHE 63 0.592 3.714 11.221 486 H LYS 64 H LYS 64 0.323 -3.511 11.292 487 HA LYS 64 HA LYS 64 -1.254 -5.735 10.143 488 HB2 LYS 64 1HB LYS 64 1.275 -6.032 9.648 489 HB3 LYS 64 2HB LYS 64 1.446 -6.303 11.382 490 HG2 LYS 64 1HG LYS 64 -0.095 -8.177 11.297 491 HG3 LYS 64 2HG LYS 64 -0.470 -7.847 9.608 492 HD2 LYS 64 1HD LYS 64 1.108 -9.662 9.638 493 HD3 LYS 64 2HD LYS 64 1.969 -8.230 9.078 494 HE2 LYS 64 1HE LYS 64 3.074 -7.945 11.157 495 HE3 LYS 64 2HE LYS 64 1.956 -9.021 11.995 496 HZ1 LYS 64 3HZ LYS 64 4.194 -9.975 11.427 497 HZ2 LYS 64 1HZ LYS 64 3.719 -9.936 9.799 498 HZ3 LYS 64 2HZ LYS 64 2.855 -10.886 10.913 499 H GLY 65 H GLY 65 -2.811 -5.648 11.709 500 HA2 GLY 65 1HA GLY 65 -3.763 -6.054 13.817 501 HA3 GLY 65 2HA GLY 65 -2.181 -6.615 14.358 502 H ASP 66 H ASP 66 -1.654 -5.470 16.134 503 HA ASP 66 HA ASP 66 -2.322 -2.561 16.276 504 HB2 ASP 66 1HB ASP 66 -3.036 -4.076 18.138 505 HB3 ASP 66 2HB ASP 66 -1.337 -4.437 18.448 506 H THR 67 H THR 67 0.108 -4.188 14.999 507 HA THR 67 HA THR 67 2.215 -2.342 16.083 508 HB THR 67 HB THR 67 2.563 -5.223 15.209 509 HG1 THR 67 HG1 THR 67 2.407 -3.890 17.671 510 HG21 THR 67 3HG2 THR 67 4.901 -4.792 16.131 511 HG22 THR 67 1HG2 THR 67 4.499 -3.076 16.091 512 HG23 THR 67 2HG2 THR 67 4.527 -4.010 14.595 513 H CYS 68 H CYS 68 3.262 -1.179 14.565 514 HA CYS 68 HA CYS 68 2.442 -1.389 11.767 515 HB2 CYS 68 1HB CYS 68 4.141 0.490 11.505 516 HB3 CYS 68 2HB CYS 68 2.818 0.820 12.621 517 HG CYS 68 HG CYS 68 4.562 1.199 14.334 518 H VAL 69 H VAL 69 3.581 -2.339 10.126 519 HA VAL 69 HA VAL 69 5.890 -4.003 10.833 520 HB VAL 69 HB VAL 69 4.563 -3.495 8.151 521 HG11 VAL 69 1HG1 VAL 69 6.605 -5.513 9.107 522 HG12 VAL 69 2HG1 VAL 69 6.758 -4.372 7.772 523 HG13 VAL 69 3HG1 VAL 69 5.656 -5.743 7.639 524 HG21 VAL 69 3HG2 VAL 69 3.028 -4.473 9.813 525 HG22 VAL 69 1HG2 VAL 69 4.210 -5.731 10.173 526 HG23 VAL 69 2HG2 VAL 69 3.450 -5.664 8.583 527 H SER 70 H SER 70 5.337 -1.484 8.344 528 HA SER 70 HA SER 70 7.766 -0.066 8.956 529 HB2 SER 70 1HB SER 70 9.110 -0.675 7.014 530 HB3 SER 70 2HB SER 70 8.763 -2.123 7.949 531 HG SER 70 HG SER 70 7.156 -1.257 5.785 532 H THR 71 H THR 71 8.188 1.642 7.292 533 HA THR 71 HA THR 71 5.667 2.375 5.837 534 HB THR 71 HB THR 71 7.887 4.135 6.927 535 HG1 THR 71 HG1 THR 71 5.170 4.042 7.685 536 HG21 THR 71 3HG2 THR 71 5.380 4.719 5.344 537 HG22 THR 71 1HG2 THR 71 7.035 5.214 4.985 538 HG23 THR 71 2HG2 THR 71 6.170 5.946 6.335 539 H MET 72 H MET 72 5.816 2.394 3.653 540 HA MET 72 HA MET 72 8.222 1.666 2.283 541 HB2 MET 72 1HB MET 72 5.636 2.895 1.289 542 HB3 MET 72 2HB MET 72 6.915 2.303 0.225 543 HG2 MET 72 1HG MET 72 6.734 0.065 1.236 544 HG3 MET 72 2HG MET 72 5.469 0.649 2.315 545 HE1 MET 72 3HE MET 72 3.429 -0.955 1.556 546 HE2 MET 72 1HE MET 72 4.935 -1.733 1.047 547 HE3 MET 72 2HE MET 72 3.554 -1.673 -0.045 548 H ASP 73 H ASP 73 9.786 3.214 3.046 549 HA ASP 73 HA ASP 73 9.422 6.045 2.221 550 HB2 ASP 73 1HB ASP 73 11.575 6.373 3.450 551 HB3 ASP 73 2HB ASP 73 10.315 5.656 4.457 552 H ASN 74 H ASN 74 11.114 3.146 1.265 553 HA ASN 74 HA ASN 74 12.934 4.645 -0.534 554 HB2 ASN 74 1HB ASN 74 12.634 1.722 0.173 555 HB3 ASN 74 2HB ASN 74 13.724 2.283 -1.097 556 HD21 ASN 74 2HD2 ASN 74 14.637 1.020 1.372 557 HD22 ASN 74 1HD2 ASN 74 15.538 2.178 2.227 558 H ASN 75 H ASN 75 11.930 5.368 -2.340 559 HA ASN 75 HA ASN 75 9.644 4.167 -3.570 560 HB2 ASN 75 1HB ASN 75 11.725 6.094 -4.626 561 HB3 ASN 75 2HB ASN 75 10.285 5.632 -5.532 562 HD21 ASN 75 2HD2 ASN 75 9.103 5.488 -2.511 563 HD22 ASN 75 1HD2 ASN 75 8.612 7.095 -2.284 564 H ASP 76 H ASP 76 13.115 3.887 -4.210 565 HA ASP 76 HA ASP 76 12.882 2.334 -6.611 566 HB2 ASP 76 1HB ASP 76 14.960 3.509 -5.836 567 HB3 ASP 76 2HB ASP 76 15.125 2.291 -4.571 568 H ALA 77 H ALA 77 11.869 1.552 -3.558 569 HA ALA 77 HA ALA 77 12.726 -1.264 -3.568 570 HB1 ALA 77 3HB ALA 77 10.688 0.085 -1.780 571 HB2 ALA 77 1HB ALA 77 12.422 0.075 -1.461 572 HB3 ALA 77 2HB ALA 77 11.523 -1.441 -1.481 573 H GLN 78 H GLN 78 11.275 -3.039 -3.776 574 HA GLN 78 HA GLN 78 9.046 -2.521 -5.639 575 HB2 GLN 78 1HB GLN 78 10.354 -5.054 -4.630 576 HB3 GLN 78 2HB GLN 78 8.966 -5.049 -5.719 577 HG2 GLN 78 1HG GLN 78 10.253 -3.699 -7.344 578 HG3 GLN 78 2HG GLN 78 11.645 -3.734 -6.262 579 HE21 GLN 78 2HE2 GLN 78 10.149 -6.678 -5.844 580 HE22 GLN 78 1HE2 GLN 78 11.007 -7.592 -6.989 581 H LEU 79 H LEU 79 6.961 -3.687 -5.275 582 HA LEU 79 HA LEU 79 5.818 -3.011 -2.745 583 HB2 LEU 79 1HB LEU 79 4.445 -3.177 -4.768 584 HB3 LEU 79 2HB LEU 79 4.825 -4.891 -4.912 585 HG LEU 79 HG LEU 79 3.660 -5.368 -2.816 586 HD11 LEU 79 1HD1 LEU 79 3.514 -2.362 -2.670 587 HD12 LEU 79 2HD1 LEU 79 3.969 -3.516 -1.417 588 HD13 LEU 79 3HD1 LEU 79 2.277 -3.340 -1.875 589 HD21 LEU 79 3HD2 LEU 79 1.373 -4.786 -3.527 590 HD22 LEU 79 1HD2 LEU 79 2.346 -5.291 -4.908 591 HD23 LEU 79 2HD2 LEU 79 2.020 -3.580 -4.639 592 H GLY 80 H GLY 80 6.970 -6.093 -4.092 593 HA2 GLY 80 1HA GLY 80 6.183 -7.639 -1.768 594 HA3 GLY 80 2HA GLY 80 7.266 -8.183 -3.049 595 H TYR 81 H TYR 81 8.579 -5.346 -2.217 596 HA TYR 81 HA TYR 81 10.804 -6.495 -0.838 597 HB2 TYR 81 1HB TYR 81 10.834 -4.327 -2.127 598 HB3 TYR 81 2HB TYR 81 9.942 -3.588 -0.797 599 HD1 TYR 81 HD2 TYR 81 13.148 -5.038 -1.856 600 HD2 TYR 81 HD1 TYR 81 10.994 -3.225 1.387 601 HE1 TYR 81 HE2 TYR 81 15.279 -4.695 -0.636 602 HE2 TYR 81 HE1 TYR 81 13.127 -2.881 2.609 603 HH TYR 81 HH TYR 81 15.454 -2.759 2.244 604 H TYR 82 H TYR 82 8.002 -4.628 0.316 605 HA TYR 82 HA TYR 82 8.762 -5.243 3.140 606 HB2 TYR 82 1HB TYR 82 6.703 -3.345 1.971 607 HB3 TYR 82 2HB TYR 82 6.976 -3.583 3.694 608 HD1 TYR 82 HD2 TYR 82 9.305 -3.117 4.636 609 HD2 TYR 82 HD1 TYR 82 8.073 -1.876 0.712 610 HE1 TYR 82 HE2 TYR 82 11.157 -1.469 4.576 611 HE2 TYR 82 HE1 TYR 82 9.925 -0.227 0.653 612 HH TYR 82 HH TYR 82 11.655 0.691 3.387 613 H ALA 83 H ALA 83 5.904 -5.304 0.987 614 HA ALA 83 HA ALA 83 4.370 -6.924 2.842 615 HB1 ALA 83 3HB ALA 83 3.950 -6.243 -0.078 616 HB2 ALA 83 1HB ALA 83 3.193 -5.466 1.312 617 HB3 ALA 83 2HB ALA 83 2.785 -7.133 0.903 618 H ASN 84 H ASN 84 3.963 -9.116 2.763 619 HA ASN 84 HA ASN 84 4.814 -10.838 0.611 620 HB2 ASN 84 1HB ASN 84 7.031 -10.266 1.645 621 HB3 ASN 84 2HB ASN 84 6.461 -10.969 3.158 622 HD21 ASN 84 2HD2 ASN 84 8.145 -12.659 2.996 623 HD22 ASN 84 1HD2 ASN 84 7.971 -13.948 1.905 624 H SER 85 H SER 85 2.560 -10.239 2.496 625 HA SER 85 HA SER 85 1.964 -13.051 3.214 626 HB2 SER 85 1HB SER 85 2.991 -12.051 5.249 627 HB3 SER 85 2HB SER 85 1.761 -10.791 5.228 628 HG SER 85 HG SER 85 0.684 -12.198 6.373 629 H ASP 86 H ASP 86 -0.235 -13.490 3.128 630 HA ASP 86 HA ASP 86 -1.924 -11.439 1.865 631 HB2 ASP 86 1HB ASP 86 -1.938 -13.769 1.038 632 HB3 ASP 86 2HB ASP 86 -2.526 -14.318 2.608 633 H GLY 87 H GLY 87 -3.279 -10.150 3.008 634 HA2 GLY 87 1HA GLY 87 -5.183 -10.083 4.642 635 HA3 GLY 87 2HA GLY 87 -4.195 -11.057 5.728 636 H LEU 88 H LEU 88 -2.221 -8.898 4.115 637 HA LEU 88 HA LEU 88 -1.750 -7.348 6.519 638 HB2 LEU 88 1HB LEU 88 -0.752 -6.989 3.680 639 HB3 LEU 88 2HB LEU 88 -0.162 -6.075 5.067 640 HG LEU 88 HG LEU 88 -0.068 -9.100 4.832 641 HD11 LEU 88 1HD1 LEU 88 1.459 -8.229 3.217 642 HD12 LEU 88 2HD1 LEU 88 2.438 -8.625 4.630 643 HD13 LEU 88 3HD1 LEU 88 1.993 -6.950 4.307 644 HD21 LEU 88 3HD2 LEU 88 0.008 -8.694 7.133 645 HD22 LEU 88 1HD2 LEU 88 0.760 -7.111 6.941 646 HD23 LEU 88 2HD2 LEU 88 1.717 -8.577 6.735 647 H ARG 89 H ARG 89 -2.047 -5.059 6.749 648 HA ARG 89 HA ARG 89 -4.283 -3.948 5.074 649 HB2 ARG 89 1HB ARG 89 -4.909 -4.436 7.433 650 HB3 ARG 89 2HB ARG 89 -3.615 -3.368 7.975 651 HG2 ARG 89 1HG ARG 89 -4.661 -1.471 6.838 652 HG3 ARG 89 2HG ARG 89 -5.928 -2.523 6.207 653 HD2 ARG 89 1HD ARG 89 -6.588 -3.070 8.550 654 HD3 ARG 89 2HD ARG 89 -5.382 -1.922 9.128 655 HE ARG 89 HE ARG 89 -6.770 -0.129 8.387 656 HH11 ARG 89 1HH2 ARG 89 -7.919 -3.232 7.382 657 HH12 ARG 89 2HH2 ARG 89 -9.472 -2.639 6.898 658 HH21 ARG 89 1HH1 ARG 89 -8.785 0.648 7.753 659 HH22 ARG 89 2HH1 ARG 89 -9.961 -0.446 7.106 660 H LEU 90 H LEU 90 -3.731 -2.200 3.921 661 HA LEU 90 HA LEU 90 -1.250 -0.688 4.651 662 HB2 LEU 90 1HB LEU 90 -2.804 -0.718 2.044 663 HB3 LEU 90 2HB LEU 90 -1.237 0.046 2.321 664 HG LEU 90 HG LEU 90 -1.813 -2.926 2.546 665 HD11 LEU 90 1HD1 LEU 90 -1.831 -2.033 0.220 666 HD12 LEU 90 2HD1 LEU 90 -0.479 -3.128 0.509 667 HD13 LEU 90 3HD1 LEU 90 -0.212 -1.385 0.482 668 HD21 LEU 90 3HD2 LEU 90 0.627 -1.226 3.070 669 HD22 LEU 90 1HD2 LEU 90 0.814 -2.896 2.532 670 HD23 LEU 90 2HD2 LEU 90 -0.033 -2.549 4.036 671 H HIS 91 H HIS 91 -1.545 1.281 5.536 672 HA HIS 91 HA HIS 91 -4.247 2.537 5.387 673 HB2 HIS 91 1HB HIS 91 -3.199 2.186 7.621 674 HB3 HIS 91 2HB HIS 91 -1.872 3.242 7.134 675 HD1 HIS 91 HD1 HIS 91 -5.690 3.466 7.089 676 HD2 HIS 91 HD2 HIS 91 -2.360 5.825 7.939 677 HE1 HIS 91 HE1 HIS 91 -6.579 5.723 7.818 678 H VAL 92 H VAL 92 -4.563 4.287 4.116 679 HA VAL 92 HA VAL 92 -2.188 5.577 2.846 680 HB VAL 92 HB VAL 92 -5.138 5.558 2.145 681 HG11 VAL 92 1HG1 VAL 92 -4.392 7.722 1.509 682 HG12 VAL 92 2HG1 VAL 92 -4.257 6.755 0.042 683 HG13 VAL 92 3HG1 VAL 92 -2.818 7.116 0.995 684 HG21 VAL 92 3HG2 VAL 92 -3.690 3.527 1.650 685 HG22 VAL 92 1HG2 VAL 92 -2.748 4.559 0.575 686 HG23 VAL 92 2HG2 VAL 92 -4.454 4.260 0.241 687 H VAL 93 H VAL 93 -1.615 7.588 3.481 688 HA VAL 93 HA VAL 93 -3.546 9.193 5.130 689 HB VAL 93 HB VAL 93 -0.512 9.248 5.107 690 HG11 VAL 93 1HG1 VAL 93 -1.334 11.416 5.709 691 HG12 VAL 93 2HG1 VAL 93 -0.926 10.606 7.223 692 HG13 VAL 93 3HG1 VAL 93 -2.610 10.725 6.712 693 HG21 VAL 93 3HG2 VAL 93 -2.417 8.222 7.235 694 HG22 VAL 93 1HG2 VAL 93 -0.655 8.134 7.261 695 HG23 VAL 93 2HG2 VAL 93 -1.568 7.181 6.091 696 H ASP 94 H ASP 94 -4.492 10.444 3.508 697 HA ASP 94 HA ASP 94 -2.653 12.004 1.727 698 HB2 ASP 94 1HB ASP 94 -4.601 12.324 0.272 699 HB3 ASP 94 2HB ASP 94 -4.286 10.607 0.530 700 H SER 95 H SER 95 -2.763 14.225 1.731 701 HA SER 95 HA SER 95 -4.856 15.603 3.276 702 HB2 SER 95 1HB SER 95 -1.937 15.692 4.074 703 HB3 SER 95 2HB SER 95 -3.219 16.690 4.764 704 HG SER 95 HG SER 95 -2.557 14.516 5.763 Start of MODEL 7 1 H1 MET 1 1H MET 1 15.535 -5.130 -27.187 2 H2 MET 1 2H MET 1 13.962 -5.043 -27.824 3 H3 MET 1 3H MET 1 15.263 -4.337 -28.660 4 HA MET 1 HA MET 1 15.039 -6.255 -29.847 5 HB2 MET 1 1HB MET 1 16.813 -6.961 -27.486 6 HB3 MET 1 2HB MET 1 16.768 -7.865 -28.999 7 HG2 MET 1 1HG MET 1 17.439 -4.918 -28.772 8 HG3 MET 1 2HG MET 1 18.632 -6.202 -28.931 9 HE1 MET 1 3HE MET 1 17.205 -8.235 -31.277 10 HE2 MET 1 1HE MET 1 18.787 -7.801 -30.613 11 HE3 MET 1 2HE MET 1 18.449 -7.555 -32.323 12 H GLY 2 H GLY 2 13.041 -7.226 -29.872 13 HA2 GLY 2 1HA GLY 2 11.663 -9.127 -29.488 14 HA3 GLY 2 2HA GLY 2 12.665 -9.546 -28.099 15 H HIS 3 H HIS 3 9.748 -9.408 -28.251 16 HA HIS 3 HA HIS 3 9.139 -7.130 -26.408 17 HB2 HIS 3 1HB HIS 3 7.356 -8.942 -28.063 18 HB3 HIS 3 2HB HIS 3 6.744 -7.764 -26.901 19 HD1 HIS 3 HD1 HIS 3 7.822 -5.212 -27.347 20 HD2 HIS 3 HD2 HIS 3 7.654 -7.842 -30.578 21 HE1 HIS 3 HE1 HIS 3 8.021 -3.794 -29.436 22 H HIS 4 H HIS 4 10.145 -10.237 -26.262 23 HA HIS 4 HA HIS 4 8.325 -11.317 -24.269 24 HB2 HIS 4 1HB HIS 4 9.990 -13.098 -24.029 25 HB3 HIS 4 2HB HIS 4 9.727 -12.761 -25.738 26 HD1 HIS 4 HD1 HIS 4 11.566 -11.113 -26.870 27 HD2 HIS 4 HD2 HIS 4 12.629 -12.813 -23.216 28 HE1 HIS 4 HE1 HIS 4 14.080 -10.873 -26.672 29 H HIS 5 H HIS 5 10.773 -8.975 -24.199 30 HA HIS 5 HA HIS 5 11.853 -9.464 -21.570 31 HB2 HIS 5 1HB HIS 5 12.701 -7.182 -21.711 32 HB3 HIS 5 2HB HIS 5 12.909 -7.964 -23.278 33 HD1 HIS 5 HD1 HIS 5 11.580 -7.040 -25.258 34 HD2 HIS 5 HD2 HIS 5 10.552 -5.242 -21.640 35 HE1 HIS 5 HE1 HIS 5 10.099 -5.067 -25.834 36 H HIS 6 H HIS 6 8.840 -8.227 -22.694 37 HA HIS 6 HA HIS 6 8.145 -6.480 -20.563 38 HB2 HIS 6 1HB HIS 6 6.504 -8.276 -22.356 39 HB3 HIS 6 2HB HIS 6 5.750 -7.264 -21.126 40 HD1 HIS 6 HD1 HIS 6 7.583 -7.090 -24.394 41 HD2 HIS 6 HD2 HIS 6 5.873 -4.461 -21.649 42 HE1 HIS 6 HE1 HIS 6 7.498 -4.827 -25.527 43 H HIS 7 H HIS 7 7.727 -10.007 -20.889 44 HA HIS 7 HA HIS 7 6.973 -11.585 -19.295 45 HB2 HIS 7 1HB HIS 7 9.164 -10.053 -17.877 46 HB3 HIS 7 2HB HIS 7 8.485 -11.563 -17.270 47 HD1 HIS 7 HD1 HIS 7 8.443 -13.538 -19.282 48 HD2 HIS 7 HD2 HIS 7 11.317 -10.528 -19.543 49 HE1 HIS 7 HE1 HIS 7 10.249 -14.405 -20.832 50 H HIS 8 H HIS 8 4.832 -10.815 -18.953 51 HA HIS 8 HA HIS 8 4.076 -8.739 -17.176 52 HB2 HIS 8 1HB HIS 8 2.636 -11.286 -17.959 53 HB3 HIS 8 2HB HIS 8 1.880 -9.962 -17.073 54 HD1 HIS 8 HD1 HIS 8 2.056 -7.536 -18.359 55 HD2 HIS 8 HD2 HIS 8 2.574 -10.944 -20.704 56 HE1 HIS 8 HE1 HIS 8 1.708 -6.812 -20.761 57 H SER 9 H SER 9 4.498 -12.238 -16.548 58 HA SER 9 HA SER 9 5.080 -11.612 -13.723 59 HB2 SER 9 1HB SER 9 2.640 -13.139 -14.624 60 HB3 SER 9 2HB SER 9 3.357 -13.424 -13.040 61 HG SER 9 HG SER 9 2.820 -11.433 -12.427 62 H HIS 10 H HIS 10 6.163 -13.330 -12.668 63 HA HIS 10 HA HIS 10 7.730 -15.030 -14.376 64 HB2 HIS 10 1HB HIS 10 7.319 -15.009 -11.376 65 HB3 HIS 10 2HB HIS 10 8.508 -16.021 -12.197 66 HD1 HIS 10 HD1 HIS 10 10.279 -14.622 -13.752 67 HD2 HIS 10 HD2 HIS 10 8.221 -12.443 -10.853 68 HE1 HIS 10 HE1 HIS 10 11.566 -12.462 -13.431 69 H GLY 11 H GLY 11 4.926 -15.649 -12.269 70 HA2 GLY 11 1HA GLY 11 4.296 -18.055 -13.839 71 HA3 GLY 11 2HA GLY 11 4.727 -18.367 -12.158 72 H LYS 12 H LYS 12 2.781 -15.834 -13.759 73 HA LYS 12 HA LYS 12 0.718 -14.909 -13.091 74 HB2 LYS 12 1HB LYS 12 0.207 -17.888 -12.984 75 HB3 LYS 12 2HB LYS 12 -1.063 -16.672 -12.873 76 HG2 LYS 12 1HG LYS 12 -0.436 -15.773 -15.064 77 HG3 LYS 12 2HG LYS 12 0.897 -16.920 -15.170 78 HD2 LYS 12 1HD LYS 12 -0.825 -17.935 -16.436 79 HD3 LYS 12 2HD LYS 12 -0.895 -18.757 -14.880 80 HE2 LYS 12 1HE LYS 12 -2.787 -17.433 -14.181 81 HE3 LYS 12 2HE LYS 12 -2.623 -16.361 -15.572 82 HZ1 LYS 12 3HZ LYS 12 -4.291 -18.399 -15.525 83 HZ2 LYS 12 1HZ LYS 12 -2.924 -19.205 -16.122 84 HZ3 LYS 12 2HZ LYS 12 -3.549 -17.862 -16.955 85 H SER 13 H SER 13 -1.236 -15.696 -11.359 86 HA SER 13 HA SER 13 -1.780 -15.306 -9.104 87 HB2 SER 13 1HB SER 13 -0.945 -17.051 -7.612 88 HB3 SER 13 2HB SER 13 -1.332 -17.752 -9.181 89 HG SER 13 HG SER 13 0.772 -17.962 -9.622 90 H ASP 14 H ASP 14 0.646 -13.855 -10.292 91 HA ASP 14 HA ASP 14 2.419 -13.446 -8.005 92 HB2 ASP 14 1HB ASP 14 3.146 -13.191 -10.402 93 HB3 ASP 14 2HB ASP 14 2.117 -11.761 -10.510 94 H PHE 15 H PHE 15 -0.241 -13.027 -7.226 95 HA PHE 15 HA PHE 15 -0.251 -10.075 -6.689 96 HB2 PHE 15 1HB PHE 15 -2.741 -11.747 -7.096 97 HB3 PHE 15 2HB PHE 15 -2.628 -9.992 -6.962 98 HD1 PHE 15 HD2 PHE 15 -1.530 -8.662 -8.789 99 HD2 PHE 15 HD1 PHE 15 -2.319 -12.867 -9.156 100 HE1 PHE 15 HE2 PHE 15 -1.209 -8.510 -11.246 101 HE2 PHE 15 HE1 PHE 15 -2.001 -12.717 -11.607 102 HZ PHE 15 HZ PHE 15 -1.443 -10.537 -12.655 103 H ILE 16 H ILE 16 -1.327 -9.533 -4.651 104 HA ILE 16 HA ILE 16 -1.484 -11.828 -2.716 105 HB ILE 16 HB ILE 16 -0.594 -10.260 -1.003 106 HG12 ILE 16 1HG1 ILE 16 -0.040 -8.450 -3.379 107 HG13 ILE 16 2HG1 ILE 16 -1.303 -8.162 -2.183 108 HG21 ILE 16 1HG2 ILE 16 1.726 -10.328 -1.779 109 HG22 ILE 16 2HG2 ILE 16 1.185 -10.551 -3.442 110 HG23 ILE 16 3HG2 ILE 16 0.897 -11.813 -2.245 111 HD11 ILE 16 3HD1 ILE 16 1.685 -8.230 -1.725 112 HD12 ILE 16 1HD1 ILE 16 0.512 -8.264 -0.408 113 HD13 ILE 16 2HD1 ILE 16 0.587 -6.870 -1.485 114 H LYS 17 H LYS 17 -3.000 -11.505 -0.970 115 HA LYS 17 HA LYS 17 -5.247 -9.686 -1.734 116 HB2 LYS 17 1HB LYS 17 -5.544 -12.233 -1.420 117 HB3 LYS 17 2HB LYS 17 -5.341 -11.917 0.303 118 HG2 LYS 17 1HG LYS 17 -7.246 -10.430 0.322 119 HG3 LYS 17 2HG LYS 17 -7.393 -10.517 -1.431 120 HD2 LYS 17 1HD LYS 17 -9.042 -12.016 -0.577 121 HD3 LYS 17 2HD LYS 17 -7.724 -13.031 -1.153 122 HE2 LYS 17 1HE LYS 17 -6.938 -13.449 1.052 123 HE3 LYS 17 2HE LYS 17 -7.903 -12.139 1.732 124 HZ1 LYS 17 3HZ LYS 17 -8.647 -14.840 1.174 125 HZ2 LYS 17 1HZ LYS 17 -9.722 -13.731 0.475 126 HZ3 LYS 17 2HZ LYS 17 -9.422 -13.683 2.147 127 H VAL 18 H VAL 18 -5.151 -7.781 -0.657 128 HA VAL 18 HA VAL 18 -4.719 -7.834 2.292 129 HB VAL 18 HB VAL 18 -3.271 -5.801 2.099 130 HG11 VAL 18 1HG1 VAL 18 -2.102 -8.101 0.520 131 HG12 VAL 18 2HG1 VAL 18 -2.404 -8.208 2.255 132 HG13 VAL 18 3HG1 VAL 18 -1.271 -7.011 1.628 133 HG21 VAL 18 3HG2 VAL 18 -3.857 -4.935 -0.050 134 HG22 VAL 18 1HG2 VAL 18 -3.517 -6.472 -0.845 135 HG23 VAL 18 2HG2 VAL 18 -2.194 -5.500 -0.205 136 H ASN 19 H ASN 19 -5.439 -5.738 3.280 137 HA ASN 19 HA ASN 19 -7.834 -4.710 1.818 138 HB2 ASN 19 1HB ASN 19 -7.019 -4.706 4.729 139 HB3 ASN 19 2HB ASN 19 -8.393 -3.779 4.128 140 HD21 ASN 19 2HD2 ASN 19 -8.785 -5.910 5.983 141 HD22 ASN 19 1HD2 ASN 19 -9.599 -7.173 5.192 142 H VAL 20 H VAL 20 -8.090 -2.486 1.457 143 HA VAL 20 HA VAL 20 -5.704 -0.752 2.054 144 HB VAL 20 HB VAL 20 -7.498 -0.842 -0.387 145 HG11 VAL 20 1HG1 VAL 20 -5.930 1.060 -1.148 146 HG12 VAL 20 2HG1 VAL 20 -5.531 1.249 0.559 147 HG13 VAL 20 3HG1 VAL 20 -7.190 1.479 0.012 148 HG21 VAL 20 3HG2 VAL 20 -5.366 -1.240 -1.556 149 HG22 VAL 20 1HG2 VAL 20 -5.622 -2.459 -0.308 150 HG23 VAL 20 2HG2 VAL 20 -4.498 -1.131 -0.024 151 H SER 21 H SER 21 -6.151 1.102 3.122 152 HA SER 21 HA SER 21 -8.994 2.053 3.272 153 HB2 SER 21 1HB SER 21 -7.000 1.695 5.524 154 HB3 SER 21 2HB SER 21 -8.455 2.675 5.676 155 HG SER 21 HG SER 21 -9.252 0.787 6.235 156 H ASN 22 H ASN 22 -9.159 4.377 3.653 157 HA ASN 22 HA ASN 22 -6.638 5.934 3.471 158 HB2 ASN 22 1HB ASN 22 -7.672 7.310 1.596 159 HB3 ASN 22 2HB ASN 22 -7.137 5.692 1.144 160 HD21 ASN 22 2HD2 ASN 22 -8.903 6.368 -0.632 161 HD22 ASN 22 1HD2 ASN 22 -10.479 5.833 -0.304 162 H SER 23 H SER 23 -6.770 7.754 4.667 163 HA SER 23 HA SER 23 -9.177 8.268 6.216 164 HB2 SER 23 1HB SER 23 -7.865 10.010 7.285 165 HB3 SER 23 2HB SER 23 -6.855 8.580 7.094 166 HG SER 23 HG SER 23 -6.731 11.057 5.845 167 H HIS 24 H HIS 24 -9.997 10.607 6.382 168 HA HIS 24 HA HIS 24 -11.188 12.332 5.338 169 HB2 HIS 24 1HB HIS 24 -8.658 12.284 3.669 170 HB3 HIS 24 2HB HIS 24 -9.909 13.511 3.489 171 HD1 HIS 24 HD1 HIS 24 -7.548 12.119 6.125 172 HD2 HIS 24 HD2 HIS 24 -9.783 15.558 5.375 173 HE1 HIS 24 HE1 HIS 24 -6.900 13.798 7.906 174 H ASN 25 H ASN 25 -11.186 9.404 4.217 175 HA ASN 25 HA ASN 25 -12.975 10.066 1.962 176 HB2 ASN 25 1HB ASN 25 -10.513 9.689 1.154 177 HB3 ASN 25 2HB ASN 25 -10.835 7.989 1.487 178 HD21 ASN 25 2HD2 ASN 25 -13.114 10.457 0.200 179 HD22 ASN 25 1HD2 ASN 25 -13.407 9.644 -1.261 180 H ASP 26 H ASP 26 -14.714 8.735 2.015 181 HA ASP 26 HA ASP 26 -14.763 6.548 3.982 182 HB2 ASP 26 1HB ASP 26 -17.167 6.374 3.267 183 HB3 ASP 26 2HB ASP 26 -16.721 7.985 3.833 184 H ALA 27 H ALA 27 -13.636 6.768 0.913 185 HA ALA 27 HA ALA 27 -14.803 4.337 -0.216 186 HB1 ALA 27 3HB ALA 27 -13.787 6.386 -1.472 187 HB2 ALA 27 1HB ALA 27 -13.469 4.773 -2.107 188 HB3 ALA 27 2HB ALA 27 -12.236 5.608 -1.163 189 H VAL 28 H VAL 28 -14.272 2.403 0.700 190 HA VAL 28 HA VAL 28 -11.389 1.887 1.377 191 HB VAL 28 HB VAL 28 -13.880 1.036 2.883 192 HG11 VAL 28 1HG1 VAL 28 -12.158 -0.107 4.393 193 HG12 VAL 28 2HG1 VAL 28 -11.018 0.070 3.059 194 HG13 VAL 28 3HG1 VAL 28 -12.476 -0.897 2.849 195 HG21 VAL 28 3HG2 VAL 28 -12.688 2.161 4.765 196 HG22 VAL 28 1HG2 VAL 28 -13.050 3.268 3.441 197 HG23 VAL 28 2HG2 VAL 28 -11.415 2.637 3.639 198 H ALA 29 H ALA 29 -10.574 0.062 0.429 199 HA ALA 29 HA ALA 29 -12.476 -1.659 -1.127 200 HB1 ALA 29 3HB ALA 29 -10.685 -2.113 -2.617 201 HB2 ALA 29 1HB ALA 29 -9.477 -1.532 -1.469 202 HB3 ALA 29 2HB ALA 29 -10.553 -0.388 -2.270 203 H PHE 30 H PHE 30 -12.272 -3.956 -0.963 204 HA PHE 30 HA PHE 30 -10.581 -4.948 1.316 205 HB2 PHE 30 1HB PHE 30 -13.440 -5.684 0.635 206 HB3 PHE 30 2HB PHE 30 -12.447 -6.548 1.809 207 HD1 PHE 30 HD1 PHE 30 -11.379 -5.164 3.712 208 HD2 PHE 30 HD2 PHE 30 -14.640 -3.757 1.296 209 HE1 PHE 30 HE1 PHE 30 -11.947 -3.491 5.452 210 HE2 PHE 30 HE2 PHE 30 -15.208 -2.085 3.036 211 HZ PHE 30 HZ PHE 30 -13.861 -1.951 5.115 212 H GLU 31 H GLU 31 -9.667 -6.982 1.042 213 HA GLU 31 HA GLU 31 -8.620 -8.641 -0.240 214 HB2 GLU 31 1HB GLU 31 -11.505 -8.877 -1.135 215 HB3 GLU 31 2HB GLU 31 -10.260 -10.077 -1.498 216 HG2 GLU 31 1HG GLU 31 -9.845 -10.393 0.908 217 HG3 GLU 31 2HG GLU 31 -11.062 -9.177 1.286 218 H VAL 32 H VAL 32 -8.002 -6.270 -1.389 219 HA VAL 32 HA VAL 32 -8.726 -6.406 -4.268 220 HB VAL 32 HB VAL 32 -8.659 -4.215 -3.034 221 HG11 VAL 32 1HG1 VAL 32 -5.655 -4.463 -3.162 222 HG12 VAL 32 2HG1 VAL 32 -6.551 -4.951 -1.725 223 HG13 VAL 32 3HG1 VAL 32 -6.623 -3.280 -2.285 224 HG21 VAL 32 3HG2 VAL 32 -8.436 -4.322 -5.485 225 HG22 VAL 32 1HG2 VAL 32 -6.695 -4.551 -5.323 226 HG23 VAL 32 2HG2 VAL 32 -7.433 -3.027 -4.830 227 H LYS 33 H LYS 33 -7.429 -7.432 -5.706 228 HA LYS 33 HA LYS 33 -4.958 -8.693 -4.845 229 HB2 LYS 33 1HB LYS 33 -6.330 -8.438 -7.530 230 HB3 LYS 33 2HB LYS 33 -4.816 -9.313 -7.315 231 HG2 LYS 33 1HG LYS 33 -5.895 -10.754 -5.619 232 HG3 LYS 33 2HG LYS 33 -7.414 -9.891 -5.866 233 HD2 LYS 33 1HD LYS 33 -7.504 -10.611 -8.187 234 HD3 LYS 33 2HD LYS 33 -5.912 -11.363 -8.048 235 HE2 LYS 33 1HE LYS 33 -7.645 -13.075 -7.841 236 HE3 LYS 33 2HE LYS 33 -6.814 -12.882 -6.298 237 HZ1 LYS 33 3HZ LYS 33 -8.623 -11.331 -5.649 238 HZ2 LYS 33 1HZ LYS 33 -9.138 -12.930 -5.876 239 HZ3 LYS 33 2HZ LYS 33 -9.451 -11.762 -7.069 240 H LEU 34 H LEU 34 -2.876 -7.982 -5.140 241 HA LEU 34 HA LEU 34 -2.412 -5.582 -6.868 242 HB2 LEU 34 1HB LEU 34 -1.426 -6.000 -4.032 243 HB3 LEU 34 2HB LEU 34 -0.893 -4.696 -5.091 244 HG LEU 34 HG LEU 34 -3.785 -5.188 -4.329 245 HD11 LEU 34 1HD1 LEU 34 -3.459 -3.150 -2.882 246 HD12 LEU 34 2HD1 LEU 34 -1.725 -3.293 -3.172 247 HD13 LEU 34 3HD1 LEU 34 -2.587 -4.578 -2.326 248 HD21 LEU 34 3HD2 LEU 34 -2.335 -3.102 -5.954 249 HD22 LEU 34 1HD2 LEU 34 -3.792 -2.645 -5.073 250 HD23 LEU 34 2HD2 LEU 34 -3.865 -3.912 -6.291 251 H ALA 35 H ALA 35 -0.687 -5.823 -8.166 252 HA ALA 35 HA ALA 35 0.757 -8.313 -8.231 253 HB1 ALA 35 3HB ALA 35 2.226 -6.912 -9.889 254 HB2 ALA 35 1HB ALA 35 0.978 -5.683 -9.670 255 HB3 ALA 35 2HB ALA 35 0.552 -7.264 -10.318 256 H LYS 36 H LYS 36 2.703 -8.845 -7.340 257 HA LYS 36 HA LYS 36 3.836 -7.115 -5.295 258 HB2 LYS 36 1HB LYS 36 4.777 -9.730 -6.492 259 HB3 LYS 36 2HB LYS 36 5.513 -8.959 -5.087 260 HG2 LYS 36 1HG LYS 36 3.334 -9.040 -3.915 261 HG3 LYS 36 2HG LYS 36 2.624 -9.857 -5.304 262 HD2 LYS 36 1HD LYS 36 5.039 -10.944 -3.854 263 HD3 LYS 36 2HD LYS 36 3.396 -11.350 -3.368 264 HE2 LYS 36 1HE LYS 36 3.012 -12.097 -5.786 265 HE3 LYS 36 2HE LYS 36 4.758 -11.966 -6.001 266 HZ1 LYS 36 3HZ LYS 36 4.245 -14.192 -5.397 267 HZ2 LYS 36 1HZ LYS 36 3.324 -13.690 -4.064 268 HZ3 LYS 36 2HZ LYS 36 5.008 -13.461 -4.067 269 H ASP 37 H ASP 37 4.274 -7.445 -8.655 270 HA ASP 37 HA ASP 37 7.079 -6.620 -8.727 271 HB2 ASP 37 1HB ASP 37 4.935 -6.784 -10.866 272 HB3 ASP 37 2HB ASP 37 6.615 -6.353 -11.188 273 H LEU 38 H LEU 38 4.302 -5.023 -7.913 274 HA LEU 38 HA LEU 38 4.711 -2.536 -9.367 275 HB2 LEU 38 1HB LEU 38 3.010 -3.364 -7.023 276 HB3 LEU 38 2HB LEU 38 3.091 -1.680 -7.526 277 HG LEU 38 HG LEU 38 2.462 -3.891 -9.496 278 HD11 LEU 38 1HD1 LEU 38 0.765 -4.143 -7.830 279 HD12 LEU 38 2HD1 LEU 38 0.040 -3.176 -9.113 280 HD13 LEU 38 3HD1 LEU 38 0.605 -2.397 -7.635 281 HD21 LEU 38 3HD2 LEU 38 1.181 -1.872 -10.526 282 HD22 LEU 38 1HD2 LEU 38 2.937 -1.861 -10.644 283 HD23 LEU 38 2HD2 LEU 38 2.129 -0.878 -9.425 284 H THR 39 H THR 39 5.831 -0.746 -8.731 285 HA THR 39 HA THR 39 7.677 -1.050 -6.441 286 HB THR 39 HB THR 39 8.896 0.759 -7.372 287 HG1 THR 39 HG1 THR 39 7.695 2.356 -7.988 288 HG21 THR 39 3HG2 THR 39 9.240 0.081 -9.673 289 HG22 THR 39 1HG2 THR 39 7.645 -0.669 -9.732 290 HG23 THR 39 2HG2 THR 39 8.907 -1.358 -8.711 291 H VAL 40 H VAL 40 8.007 0.945 -5.054 292 HA VAL 40 HA VAL 40 5.592 1.604 -3.682 293 HB VAL 40 HB VAL 40 8.322 2.912 -3.658 294 HG11 VAL 40 1HG1 VAL 40 6.830 4.549 -2.793 295 HG12 VAL 40 2HG1 VAL 40 7.500 3.741 -1.376 296 HG13 VAL 40 3HG1 VAL 40 5.877 3.338 -1.936 297 HG21 VAL 40 3HG2 VAL 40 8.495 1.644 -1.487 298 HG22 VAL 40 1HG2 VAL 40 8.392 0.610 -2.912 299 HG23 VAL 40 2HG2 VAL 40 6.972 0.850 -1.894 300 H ALA 41 H ALA 41 7.571 3.476 -5.989 301 HA ALA 41 HA ALA 41 6.023 5.866 -5.896 302 HB1 ALA 41 3HB ALA 41 7.401 4.827 -8.377 303 HB2 ALA 41 1HB ALA 41 8.306 5.481 -7.010 304 HB3 ALA 41 2HB ALA 41 7.166 6.504 -7.884 305 H GLN 42 H GLN 42 5.726 2.969 -7.935 306 HA GLN 42 HA GLN 42 3.516 3.972 -9.490 307 HB2 GLN 42 1HB GLN 42 4.870 1.349 -9.064 308 HB3 GLN 42 2HB GLN 42 3.200 1.256 -9.619 309 HG2 GLN 42 1HG GLN 42 4.846 1.310 -11.499 310 HG3 GLN 42 2HG GLN 42 3.716 2.666 -11.539 311 HE21 GLN 42 2HE2 GLN 42 5.010 4.324 -12.423 312 HE22 GLN 42 1HE2 GLN 42 6.479 4.840 -11.746 313 H LEU 43 H LEU 43 3.776 2.194 -6.446 314 HA LEU 43 HA LEU 43 1.016 1.549 -6.159 315 HB2 LEU 43 1HB LEU 43 2.805 0.594 -4.730 316 HB3 LEU 43 2HB LEU 43 3.049 2.178 -3.998 317 HG LEU 43 HG LEU 43 0.696 2.151 -3.197 318 HD11 LEU 43 1HD1 LEU 43 -0.322 -0.287 -3.254 319 HD12 LEU 43 2HD1 LEU 43 0.704 -0.473 -4.676 320 HD13 LEU 43 3HD1 LEU 43 -0.536 0.780 -4.638 321 HD21 LEU 43 3HD2 LEU 43 2.511 -0.147 -2.449 322 HD22 LEU 43 1HD2 LEU 43 1.038 0.227 -1.555 323 HD23 LEU 43 2HD2 LEU 43 2.345 1.408 -1.637 324 H LYS 44 H LYS 44 2.885 4.418 -5.166 325 HA LYS 44 HA LYS 44 0.730 5.756 -3.851 326 HB2 LYS 44 1HB LYS 44 3.180 6.833 -5.272 327 HB3 LYS 44 2HB LYS 44 2.077 7.839 -4.333 328 HG2 LYS 44 1HG LYS 44 2.507 6.436 -2.339 329 HG3 LYS 44 2HG LYS 44 3.630 5.454 -3.281 330 HD2 LYS 44 1HD LYS 44 5.036 7.428 -3.694 331 HD3 LYS 44 2HD LYS 44 3.909 8.432 -2.783 332 HE2 LYS 44 1HE LYS 44 4.335 7.081 -0.762 333 HE3 LYS 44 2HE LYS 44 5.464 6.077 -1.670 334 HZ1 LYS 44 3HZ LYS 44 6.542 8.368 -2.208 335 HZ2 LYS 44 1HZ LYS 44 6.871 7.597 -0.734 336 HZ3 LYS 44 2HZ LYS 44 5.743 8.865 -0.794 337 H THR 45 H THR 45 1.849 5.869 -7.240 338 HA THR 45 HA THR 45 -0.129 7.787 -8.073 339 HB THR 45 HB THR 45 0.480 6.907 -10.372 340 HG1 THR 45 HG1 THR 45 2.384 5.504 -10.252 341 HG21 THR 45 3HG2 THR 45 2.588 7.802 -8.405 342 HG22 THR 45 1HG2 THR 45 1.713 8.783 -9.581 343 HG23 THR 45 2HG2 THR 45 2.928 7.626 -10.128 344 H LYS 46 H LYS 46 -0.004 4.234 -8.056 345 HA LYS 46 HA LYS 46 -2.431 3.798 -9.502 346 HB2 LYS 46 1HB LYS 46 -0.713 2.045 -8.996 347 HB3 LYS 46 2HB LYS 46 -1.228 2.081 -7.310 348 HG2 LYS 46 1HG LYS 46 -3.495 1.418 -7.967 349 HG3 LYS 46 2HG LYS 46 -3.019 1.425 -9.665 350 HD2 LYS 46 1HD LYS 46 -1.338 -0.329 -9.197 351 HD3 LYS 46 2HD LYS 46 -1.843 -0.352 -7.507 352 HE2 LYS 46 1HE LYS 46 -4.117 -1.009 -8.188 353 HE3 LYS 46 2HE LYS 46 -3.623 -0.976 -9.881 354 HZ1 LYS 46 3HZ LYS 46 -2.329 -2.680 -7.829 355 HZ2 LYS 46 1HZ LYS 46 -2.105 -2.742 -9.509 356 HZ3 LYS 46 2HZ LYS 46 -3.591 -3.215 -8.834 357 H LEU 47 H LEU 47 -1.777 4.005 -6.004 358 HA LEU 47 HA LEU 47 -4.517 3.712 -5.199 359 HB2 LEU 47 1HB LEU 47 -2.145 4.989 -3.819 360 HB3 LEU 47 2HB LEU 47 -3.703 4.726 -3.041 361 HG LEU 47 HG LEU 47 -2.055 2.525 -4.316 362 HD11 LEU 47 1HD1 LEU 47 -2.344 3.191 -1.377 363 HD12 LEU 47 2HD1 LEU 47 -0.937 3.613 -2.352 364 HD13 LEU 47 3HD1 LEU 47 -1.346 1.920 -2.080 365 HD21 LEU 47 3HD2 LEU 47 -4.660 2.633 -2.808 366 HD22 LEU 47 1HD2 LEU 47 -3.628 1.218 -2.604 367 HD23 LEU 47 2HD2 LEU 47 -4.216 1.653 -4.204 368 H GLU 48 H GLU 48 -2.503 6.520 -5.962 369 HA GLU 48 HA GLU 48 -4.150 8.612 -5.106 370 HB2 GLU 48 1HB GLU 48 -1.903 8.859 -6.192 371 HB3 GLU 48 2HB GLU 48 -2.659 8.504 -7.745 372 HG2 GLU 48 1HG GLU 48 -4.156 10.453 -7.449 373 HG3 GLU 48 2HG GLU 48 -3.359 10.809 -5.916 374 H ILE 49 H ILE 49 -4.314 6.831 -8.186 375 HA ILE 49 HA ILE 49 -6.619 8.240 -9.174 376 HB ILE 49 HB ILE 49 -5.685 5.435 -9.846 377 HG12 ILE 49 1HG1 ILE 49 -4.990 8.052 -11.213 378 HG13 ILE 49 2HG1 ILE 49 -3.930 7.252 -10.053 379 HG21 ILE 49 1HG2 ILE 49 -7.903 5.855 -10.708 380 HG22 ILE 49 2HG2 ILE 49 -6.773 6.012 -12.053 381 HG23 ILE 49 3HG2 ILE 49 -7.432 7.454 -11.281 382 HD11 ILE 49 3HD1 ILE 49 -4.873 6.175 -12.718 383 HD12 ILE 49 1HD1 ILE 49 -4.051 5.187 -11.510 384 HD13 ILE 49 2HD1 ILE 49 -3.219 6.559 -12.241 385 H LEU 50 H LEU 50 -6.233 5.179 -7.392 386 HA LEU 50 HA LEU 50 -8.984 4.435 -7.410 387 HB2 LEU 50 1HB LEU 50 -7.203 2.865 -6.771 388 HB3 LEU 50 2HB LEU 50 -6.845 3.839 -5.347 389 HG LEU 50 HG LEU 50 -9.071 3.389 -4.430 390 HD11 LEU 50 1HD1 LEU 50 -10.550 3.183 -6.235 391 HD12 LEU 50 2HD1 LEU 50 -10.384 1.506 -5.722 392 HD13 LEU 50 3HD1 LEU 50 -9.483 2.091 -7.120 393 HD21 LEU 50 3HD2 LEU 50 -7.514 0.971 -5.376 394 HD22 LEU 50 1HD2 LEU 50 -8.837 0.869 -4.214 395 HD23 LEU 50 2HD2 LEU 50 -7.388 1.794 -3.822 396 H THR 51 H THR 51 -7.119 6.381 -5.072 397 HA THR 51 HA THR 51 -9.600 6.877 -3.515 398 HB THR 51 HB THR 51 -8.139 7.873 -1.869 399 HG1 THR 51 HG1 THR 51 -5.949 7.481 -3.589 400 HG21 THR 51 3HG2 THR 51 -6.645 5.517 -3.043 401 HG22 THR 51 1HG2 THR 51 -8.146 5.353 -2.133 402 HG23 THR 51 2HG2 THR 51 -6.708 6.009 -1.351 403 H GLY 52 H GLY 52 -7.674 8.373 -5.961 404 HA2 GLY 52 1HA GLY 52 -8.068 10.392 -7.116 405 HA3 GLY 52 2HA GLY 52 -9.527 10.596 -6.148 406 H GLY 53 H GLY 53 -6.738 10.000 -4.286 407 HA2 GLY 53 1HA GLY 53 -6.871 12.673 -3.125 408 HA3 GLY 53 2HA GLY 53 -5.777 11.384 -2.626 409 H CYS 54 H CYS 54 -4.330 13.413 -2.568 410 HA CYS 54 HA CYS 54 -3.192 14.034 -5.267 411 HB2 CYS 54 1HB CYS 54 -3.772 16.045 -4.104 412 HB3 CYS 54 2HB CYS 54 -3.070 15.456 -2.598 413 HG CYS 54 HG CYS 54 -1.228 16.953 -3.564 414 H ALA 55 H ALA 55 -1.547 12.695 -5.743 415 HA ALA 55 HA ALA 55 -0.062 11.164 -3.865 416 HB1 ALA 55 3HB ALA 55 -0.095 10.429 -6.134 417 HB2 ALA 55 1HB ALA 55 1.569 10.919 -5.819 418 HB3 ALA 55 2HB ALA 55 0.491 11.986 -6.719 419 H GLY 56 H GLY 56 0.298 14.459 -4.912 420 HA2 GLY 56 1HA GLY 56 3.091 14.772 -4.313 421 HA3 GLY 56 2HA GLY 56 1.919 16.083 -4.405 422 H THR 57 H THR 57 0.583 14.031 -2.246 423 HA THR 57 HA THR 57 2.218 14.781 0.098 424 HB THR 57 HB THR 57 0.974 16.724 0.310 425 HG1 THR 57 HG1 THR 57 0.358 15.401 2.060 426 HG21 THR 57 3HG2 THR 57 -1.152 15.240 -1.237 427 HG22 THR 57 1HG2 THR 57 -0.220 16.649 -1.743 428 HG23 THR 57 2HG2 THR 57 -1.454 16.810 -0.494 429 H MET 58 H MET 58 0.660 12.477 -1.489 430 HA MET 58 HA MET 58 -0.813 11.294 0.791 431 HB2 MET 58 1HB MET 58 -1.602 11.224 -1.661 432 HB3 MET 58 2HB MET 58 -0.325 10.035 -1.912 433 HG2 MET 58 1HG MET 58 -1.296 8.511 -0.370 434 HG3 MET 58 2HG MET 58 -2.403 9.734 0.244 435 HE1 MET 58 3HE MET 58 -1.578 9.108 -3.702 436 HE2 MET 58 1HE MET 58 -2.484 7.590 -3.778 437 HE3 MET 58 2HE MET 58 -1.150 7.765 -2.641 438 H LYS 59 H LYS 59 0.117 9.849 2.138 439 HA LYS 59 HA LYS 59 2.692 8.542 1.308 440 HB2 LYS 59 1HB LYS 59 2.704 10.244 3.260 441 HB3 LYS 59 2HB LYS 59 1.826 9.012 4.165 442 HG2 LYS 59 1HG LYS 59 3.634 7.414 3.843 443 HG3 LYS 59 2HG LYS 59 4.484 8.535 2.783 444 HD2 LYS 59 1HD LYS 59 5.521 8.682 4.951 445 HD3 LYS 59 2HD LYS 59 4.590 10.158 4.708 446 HE2 LYS 59 1HE LYS 59 2.875 9.457 6.180 447 HE3 LYS 59 2HE LYS 59 3.400 7.774 6.128 448 HZ1 LYS 59 3HZ LYS 59 5.095 9.949 7.200 449 HZ2 LYS 59 1HZ LYS 59 5.304 8.277 7.385 450 HZ3 LYS 59 2HZ LYS 59 4.020 9.063 8.173 451 H VAL 60 H VAL 60 2.954 6.340 1.929 452 HA VAL 60 HA VAL 60 0.401 4.911 2.621 453 HB VAL 60 HB VAL 60 2.704 4.122 0.818 454 HG11 VAL 60 1HG1 VAL 60 2.185 2.118 1.987 455 HG12 VAL 60 2HG1 VAL 60 1.259 2.018 0.490 456 HG13 VAL 60 3HG1 VAL 60 0.457 2.476 1.993 457 HG21 VAL 60 3HG2 VAL 60 0.903 5.596 -0.100 458 HG22 VAL 60 1HG2 VAL 60 -0.278 4.356 0.319 459 HG23 VAL 60 2HG2 VAL 60 0.963 4.020 -0.887 460 H GLN 61 H GLN 61 0.483 3.594 4.386 461 HA GLN 61 HA GLN 61 3.169 2.947 5.568 462 HB2 GLN 61 1HB GLN 61 0.645 3.878 6.960 463 HB3 GLN 61 2HB GLN 61 2.022 3.172 7.808 464 HG2 GLN 61 1HG GLN 61 3.491 4.934 6.909 465 HG3 GLN 61 2HG GLN 61 2.122 5.640 6.047 466 HE21 GLN 61 2HE2 GLN 61 1.622 7.535 7.174 467 HE22 GLN 61 1HE2 GLN 61 1.404 7.626 8.855 468 H VAL 62 H VAL 62 3.398 0.855 6.249 469 HA VAL 62 HA VAL 62 1.208 -1.026 5.589 470 HB VAL 62 HB VAL 62 4.065 -1.539 6.464 471 HG11 VAL 62 1HG1 VAL 62 1.913 -3.364 5.353 472 HG12 VAL 62 2HG1 VAL 62 2.618 -3.436 6.966 473 HG13 VAL 62 3HG1 VAL 62 3.603 -3.824 5.556 474 HG21 VAL 62 3HG2 VAL 62 2.727 -1.329 3.762 475 HG22 VAL 62 1HG2 VAL 62 4.234 -2.219 3.981 476 HG23 VAL 62 2HG2 VAL 62 4.171 -0.492 4.334 477 H PHE 63 H PHE 63 0.043 -2.100 7.137 478 HA PHE 63 HA PHE 63 0.909 -1.817 10.001 479 HB2 PHE 63 1HB PHE 63 -1.777 -1.355 8.718 480 HB3 PHE 63 2HB PHE 63 -1.692 -1.883 10.399 481 HD1 PHE 63 HD1 PHE 63 -0.471 -0.528 12.082 482 HD2 PHE 63 HD2 PHE 63 -1.161 0.882 8.079 483 HE1 PHE 63 HE1 PHE 63 0.049 1.788 12.805 484 HE2 PHE 63 HE2 PHE 63 -0.638 3.196 8.804 485 HZ PHE 63 HZ PHE 63 -0.033 3.649 11.166 486 H LYS 64 H LYS 64 0.479 -3.547 11.339 487 HA LYS 64 HA LYS 64 -0.822 -5.960 10.240 488 HB2 LYS 64 1HB LYS 64 1.583 -6.141 9.585 489 HB3 LYS 64 2HB LYS 64 2.029 -6.008 11.287 490 HG2 LYS 64 1HG LYS 64 0.772 -8.036 11.808 491 HG3 LYS 64 2HG LYS 64 0.221 -8.151 10.136 492 HD2 LYS 64 1HD LYS 64 2.560 -8.390 9.380 493 HD3 LYS 64 2HD LYS 64 3.109 -8.288 11.055 494 HE2 LYS 64 1HE LYS 64 2.973 -10.636 10.356 495 HE3 LYS 64 2HE LYS 64 1.768 -10.302 11.600 496 HZ1 LYS 64 3HZ LYS 64 0.701 -11.515 9.889 497 HZ2 LYS 64 1HZ LYS 64 1.330 -10.513 8.675 498 HZ3 LYS 64 2HZ LYS 64 0.161 -9.911 9.751 499 H GLY 65 H GLY 65 -2.369 -5.774 11.874 500 HA2 GLY 65 1HA GLY 65 -3.224 -6.280 14.009 501 HA3 GLY 65 2HA GLY 65 -1.596 -6.749 14.500 502 H ASP 66 H ASP 66 -1.204 -5.581 16.316 503 HA ASP 66 HA ASP 66 -2.004 -2.718 16.448 504 HB2 ASP 66 1HB ASP 66 -0.917 -4.646 18.522 505 HB3 ASP 66 2HB ASP 66 -1.286 -2.952 18.848 506 H THR 67 H THR 67 0.484 -4.220 15.103 507 HA THR 67 HA THR 67 2.503 -2.203 16.038 508 HB THR 67 HB THR 67 3.017 -5.072 15.203 509 HG1 THR 67 HG1 THR 67 2.957 -5.475 17.254 510 HG21 THR 67 3HG2 THR 67 4.834 -2.796 16.029 511 HG22 THR 67 1HG2 THR 67 4.849 -3.678 14.502 512 HG23 THR 67 2HG2 THR 67 5.350 -4.482 15.990 513 H CYS 68 H CYS 68 3.474 -1.061 14.445 514 HA CYS 68 HA CYS 68 2.508 -1.411 11.698 515 HB2 CYS 68 1HB CYS 68 4.650 0.541 12.518 516 HB3 CYS 68 2HB CYS 68 3.382 0.728 11.303 517 HG CYS 68 HG CYS 68 1.640 0.946 13.278 518 H VAL 69 H VAL 69 3.572 -2.579 10.176 519 HA VAL 69 HA VAL 69 6.013 -3.979 10.741 520 HB VAL 69 HB VAL 69 4.658 -3.397 8.093 521 HG11 VAL 69 1HG1 VAL 69 5.916 -5.491 7.397 522 HG12 VAL 69 2HG1 VAL 69 6.859 -5.321 8.877 523 HG13 VAL 69 3HG1 VAL 69 6.919 -4.062 7.644 524 HG21 VAL 69 3HG2 VAL 69 3.562 -5.509 8.380 525 HG22 VAL 69 1HG2 VAL 69 3.354 -4.636 9.900 526 HG23 VAL 69 2HG2 VAL 69 4.565 -5.912 9.773 527 H SER 70 H SER 70 5.324 -1.109 8.731 528 HA SER 70 HA SER 70 7.600 0.366 9.317 529 HB2 SER 70 1HB SER 70 8.170 -1.877 7.446 530 HB3 SER 70 2HB SER 70 8.868 -0.318 7.017 531 HG SER 70 HG SER 70 9.116 -0.842 9.666 532 H THR 71 H THR 71 8.228 1.844 7.333 533 HA THR 71 HA THR 71 5.711 2.481 5.824 534 HB THR 71 HB THR 71 7.950 4.294 6.771 535 HG1 THR 71 HG1 THR 71 5.946 5.198 7.825 536 HG21 THR 71 3HG2 THR 71 7.212 5.197 4.708 537 HG22 THR 71 1HG2 THR 71 6.292 6.074 5.930 538 HG23 THR 71 2HG2 THR 71 5.532 4.766 5.024 539 H MET 72 H MET 72 5.858 2.450 3.627 540 HA MET 72 HA MET 72 8.198 1.437 2.322 541 HB2 MET 72 1HB MET 72 5.741 2.839 1.237 542 HB3 MET 72 2HB MET 72 6.966 2.080 0.220 543 HG2 MET 72 1HG MET 72 6.580 -0.075 1.368 544 HG3 MET 72 2HG MET 72 5.339 0.684 2.366 545 HE1 MET 72 3HE MET 72 4.592 -1.637 1.356 546 HE2 MET 72 1HE MET 72 3.396 -1.660 0.052 547 HE3 MET 72 2HE MET 72 3.075 -0.758 1.528 548 H ASP 73 H ASP 73 9.876 2.899 3.045 549 HA ASP 73 HA ASP 73 9.777 5.690 2.038 550 HB2 ASP 73 1HB ASP 73 10.583 5.223 4.348 551 HB3 ASP 73 2HB ASP 73 11.903 4.272 3.670 552 H ASN 74 H ASN 74 11.172 2.603 1.254 553 HA ASN 74 HA ASN 74 13.295 3.741 -0.423 554 HB2 ASN 74 1HB ASN 74 12.289 0.935 0.064 555 HB3 ASN 74 2HB ASN 74 13.532 1.287 -1.138 556 HD21 ASN 74 2HD2 ASN 74 14.145 -0.320 1.134 557 HD22 ASN 74 1HD2 ASN 74 15.208 0.542 2.137 558 H ASN 75 H ASN 75 12.710 4.714 -2.268 559 HA ASN 75 HA ASN 75 10.287 4.158 -3.719 560 HB2 ASN 75 1HB ASN 75 12.811 5.657 -4.445 561 HB3 ASN 75 2HB ASN 75 11.405 5.562 -5.509 562 HD21 ASN 75 2HD2 ASN 75 12.306 8.058 -4.385 563 HD22 ASN 75 1HD2 ASN 75 11.111 8.610 -3.313 564 H ASP 76 H ASP 76 13.612 3.015 -3.986 565 HA ASP 76 HA ASP 76 13.096 1.639 -6.527 566 HB2 ASP 76 1HB ASP 76 15.419 0.766 -6.191 567 HB3 ASP 76 2HB ASP 76 15.325 2.527 -6.122 568 H ALA 77 H ALA 77 11.947 0.976 -3.587 569 HA ALA 77 HA ALA 77 12.645 -1.906 -3.503 570 HB1 ALA 77 3HB ALA 77 11.058 -1.851 -1.495 571 HB2 ALA 77 1HB ALA 77 11.013 -0.100 -1.713 572 HB3 ALA 77 2HB ALA 77 12.539 -0.906 -1.348 573 H GLN 78 H GLN 78 11.018 -3.556 -3.660 574 HA GLN 78 HA GLN 78 8.833 -2.844 -5.530 575 HB2 GLN 78 1HB GLN 78 9.940 -5.495 -4.582 576 HB3 GLN 78 2HB GLN 78 8.594 -5.335 -5.712 577 HG2 GLN 78 1HG GLN 78 10.014 -4.090 -7.271 578 HG3 GLN 78 2HG GLN 78 11.358 -4.163 -6.131 579 HE21 GLN 78 2HE2 GLN 78 10.133 -5.675 -8.853 580 HE22 GLN 78 1HE2 GLN 78 10.853 -7.201 -8.660 581 H LEU 79 H LEU 79 6.678 -3.838 -5.177 582 HA LEU 79 HA LEU 79 5.597 -3.168 -2.620 583 HB2 LEU 79 1HB LEU 79 4.227 -3.148 -4.651 584 HB3 LEU 79 2HB LEU 79 4.455 -4.883 -4.846 585 HG LEU 79 HG LEU 79 3.248 -5.317 -2.761 586 HD11 LEU 79 1HD1 LEU 79 2.030 -3.202 -1.780 587 HD12 LEU 79 2HD1 LEU 79 3.350 -2.314 -2.539 588 HD13 LEU 79 3HD1 LEU 79 3.696 -3.532 -1.314 589 HD21 LEU 79 3HD2 LEU 79 1.827 -5.238 -4.666 590 HD22 LEU 79 1HD2 LEU 79 1.911 -3.479 -4.756 591 HD23 LEU 79 2HD2 LEU 79 1.014 -4.253 -3.451 592 H GLY 80 H GLY 80 6.459 -6.313 -4.076 593 HA2 GLY 80 1HA GLY 80 5.507 -7.838 -1.809 594 HA3 GLY 80 2HA GLY 80 6.580 -8.440 -3.070 595 H TYR 81 H TYR 81 8.133 -5.773 -2.161 596 HA TYR 81 HA TYR 81 10.175 -7.147 -0.703 597 HB2 TYR 81 1HB TYR 81 10.451 -5.000 -2.011 598 HB3 TYR 81 2HB TYR 81 9.631 -4.166 -0.690 599 HD1 TYR 81 HD1 TYR 81 10.657 -4.090 1.579 600 HD2 TYR 81 HD2 TYR 81 12.702 -5.791 -1.792 601 HE1 TYR 81 HE1 TYR 81 12.801 -3.971 2.820 602 HE2 TYR 81 HE2 TYR 81 14.845 -5.675 -0.553 603 HH TYR 81 HH TYR 81 15.078 -5.298 2.685 604 H TYR 82 H TYR 82 7.583 -4.938 0.357 605 HA TYR 82 HA TYR 82 8.155 -5.664 3.204 606 HB2 TYR 82 1HB TYR 82 6.503 -3.424 2.000 607 HB3 TYR 82 2HB TYR 82 6.727 -3.694 3.728 608 HD1 TYR 82 HD1 TYR 82 9.133 -3.752 4.632 609 HD2 TYR 82 HD2 TYR 82 8.099 -2.192 0.765 610 HE1 TYR 82 HE1 TYR 82 11.279 -2.513 4.558 611 HE2 TYR 82 HE2 TYR 82 10.245 -0.953 0.691 612 HH TYR 82 HH TYR 82 12.370 -0.795 3.483 613 H ALA 83 H ALA 83 5.720 -5.765 0.683 614 HA ALA 83 HA ALA 83 3.780 -7.049 2.563 615 HB1 ALA 83 3HB ALA 83 3.055 -5.101 1.107 616 HB2 ALA 83 1HB ALA 83 2.089 -6.564 0.922 617 HB3 ALA 83 2HB ALA 83 3.302 -6.149 -0.290 618 H ASN 84 H ASN 84 5.374 -8.935 2.434 619 HA ASN 84 HA ASN 84 5.087 -10.517 -0.083 620 HB2 ASN 84 1HB ASN 84 6.879 -11.917 0.829 621 HB3 ASN 84 2HB ASN 84 7.372 -10.224 0.869 622 HD21 ASN 84 2HD2 ASN 84 8.761 -11.727 2.640 623 HD22 ASN 84 1HD2 ASN 84 8.186 -11.535 4.226 624 H SER 85 H SER 85 3.302 -10.061 2.571 625 HA SER 85 HA SER 85 2.386 -12.915 2.644 626 HB2 SER 85 1HB SER 85 2.736 -11.078 5.031 627 HB3 SER 85 2HB SER 85 1.991 -12.674 5.079 628 HG SER 85 HG SER 85 4.382 -12.724 3.810 629 H ASP 86 H ASP 86 0.128 -13.152 2.934 630 HA ASP 86 HA ASP 86 -1.449 -10.809 2.117 631 HB2 ASP 86 1HB ASP 86 -3.305 -12.408 1.943 632 HB3 ASP 86 2HB ASP 86 -1.872 -13.040 1.130 633 H GLY 87 H GLY 87 -3.605 -10.455 3.270 634 HA2 GLY 87 1HA GLY 87 -4.891 -10.213 5.257 635 HA3 GLY 87 2HA GLY 87 -3.647 -11.091 6.143 636 H LEU 88 H LEU 88 -1.933 -8.921 4.430 637 HA LEU 88 HA LEU 88 -1.498 -7.213 6.743 638 HB2 LEU 88 1HB LEU 88 -0.490 -6.935 3.898 639 HB3 LEU 88 2HB LEU 88 0.121 -6.052 5.296 640 HG LEU 88 HG LEU 88 0.173 -9.068 4.973 641 HD11 LEU 88 1HD1 LEU 88 2.633 -8.716 4.768 642 HD12 LEU 88 2HD1 LEU 88 2.357 -6.973 4.765 643 HD13 LEU 88 3HD1 LEU 88 1.733 -7.968 3.448 644 HD21 LEU 88 3HD2 LEU 88 0.974 -7.181 7.188 645 HD22 LEU 88 1HD2 LEU 88 1.868 -8.686 6.964 646 HD23 LEU 88 2HD2 LEU 88 0.141 -8.733 7.295 647 H ARG 89 H ARG 89 -1.514 -4.778 6.454 648 HA ARG 89 HA ARG 89 -3.939 -3.896 4.915 649 HB2 ARG 89 1HB ARG 89 -3.037 -3.176 7.706 650 HB3 ARG 89 2HB ARG 89 -4.202 -2.202 6.806 651 HG2 ARG 89 1HG ARG 89 -5.655 -4.164 6.554 652 HG3 ARG 89 2HG ARG 89 -4.493 -5.142 7.447 653 HD2 ARG 89 1HD ARG 89 -4.771 -3.719 9.417 654 HD3 ARG 89 2HD ARG 89 -5.869 -2.671 8.521 655 HE ARG 89 HE ARG 89 -7.569 -4.342 8.702 656 HH11 ARG 89 1HH2 ARG 89 -4.488 -5.416 9.853 657 HH12 ARG 89 2HH2 ARG 89 -5.128 -6.834 10.610 658 HH21 ARG 89 1HH1 ARG 89 -8.401 -6.194 9.677 659 HH22 ARG 89 2HH1 ARG 89 -7.335 -7.277 10.509 660 H LEU 90 H LEU 90 -3.892 -1.720 4.202 661 HA LEU 90 HA LEU 90 -1.229 -0.373 4.241 662 HB2 LEU 90 1HB LEU 90 -2.970 -0.887 1.804 663 HB3 LEU 90 2HB LEU 90 -1.556 0.165 1.808 664 HG LEU 90 HG LEU 90 -1.489 -2.769 2.583 665 HD11 LEU 90 1HD1 LEU 90 -0.584 -1.501 -0.016 666 HD12 LEU 90 2HD1 LEU 90 -2.108 -2.368 0.178 667 HD13 LEU 90 3HD1 LEU 90 -0.576 -3.217 0.388 668 HD21 LEU 90 3HD2 LEU 90 0.421 -1.827 3.547 669 HD22 LEU 90 1HD2 LEU 90 0.576 -0.588 2.302 670 HD23 LEU 90 2HD2 LEU 90 1.037 -2.255 1.957 671 H HIS 91 H HIS 91 -1.931 1.257 5.608 672 HA HIS 91 HA HIS 91 -4.476 2.642 5.054 673 HB2 HIS 91 1HB HIS 91 -3.872 2.272 7.380 674 HB3 HIS 91 2HB HIS 91 -2.321 3.076 7.142 675 HD1 HIS 91 HD1 HIS 91 -6.036 3.881 6.865 676 HD2 HIS 91 HD2 HIS 91 -2.415 5.801 7.626 677 HE1 HIS 91 HE1 HIS 91 -6.605 6.278 7.447 678 H VAL 92 H VAL 92 -4.537 4.230 3.565 679 HA VAL 92 HA VAL 92 -2.038 5.623 2.777 680 HB VAL 92 HB VAL 92 -4.826 5.914 1.628 681 HG11 VAL 92 1HG1 VAL 92 -3.620 6.764 -0.328 682 HG12 VAL 92 2HG1 VAL 92 -2.078 6.479 0.479 683 HG13 VAL 92 3HG1 VAL 92 -3.185 7.705 1.099 684 HG21 VAL 92 3HG2 VAL 92 -4.166 3.580 1.469 685 HG22 VAL 92 1HG2 VAL 92 -2.564 4.035 0.888 686 HG23 VAL 92 2HG2 VAL 92 -3.983 4.321 -0.120 687 H VAL 93 H VAL 93 -1.602 7.679 3.450 688 HA VAL 93 HA VAL 93 -3.692 9.105 5.049 689 HB VAL 93 HB VAL 93 -0.692 9.519 4.873 690 HG11 VAL 93 1HG1 VAL 93 -1.143 10.905 6.955 691 HG12 VAL 93 2HG1 VAL 93 -2.857 10.811 6.550 692 HG13 VAL 93 3HG1 VAL 93 -1.732 11.606 5.448 693 HG21 VAL 93 3HG2 VAL 93 -2.359 8.389 7.137 694 HG22 VAL 93 1HG2 VAL 93 -0.599 8.446 7.034 695 HG23 VAL 93 2HG2 VAL 93 -1.512 7.386 5.961 696 H ASP 94 H ASP 94 -4.811 10.564 3.836 697 HA ASP 94 HA ASP 94 -3.284 12.255 1.879 698 HB2 ASP 94 1HB ASP 94 -5.307 12.279 0.454 699 HB3 ASP 94 2HB ASP 94 -4.673 10.647 0.651 700 H SER 95 H SER 95 -3.229 14.247 2.699 701 HA SER 95 HA SER 95 -4.678 15.325 4.804 702 HB2 SER 95 1HB SER 95 -3.604 16.698 2.331 703 HB3 SER 95 2HB SER 95 -4.214 17.570 3.734 704 HG SER 95 HG SER 95 -2.623 16.599 4.980 Start of MODEL 8 1 H1 MET 1 1H MET 1 -5.407 -26.250 -30.295 2 H2 MET 1 2H MET 1 -4.193 -27.365 -29.886 3 H3 MET 1 3H MET 1 -4.105 -26.507 -31.350 4 HA MET 1 HA MET 1 -2.883 -25.809 -29.018 5 HB2 MET 1 1HB MET 1 -2.311 -25.120 -31.351 6 HB3 MET 1 2HB MET 1 -3.681 -24.010 -31.330 7 HG2 MET 1 1HG MET 1 -2.700 -22.804 -29.429 8 HG3 MET 1 2HG MET 1 -1.344 -23.932 -29.397 9 HE1 MET 1 3HE MET 1 0.029 -24.453 -31.705 10 HE2 MET 1 1HE MET 1 0.759 -23.494 -30.409 11 HE3 MET 1 2HE MET 1 0.968 -23.013 -32.091 12 H GLY 2 H GLY 2 -4.327 -25.638 -27.229 13 HA2 GLY 2 1HA GLY 2 -5.395 -23.036 -26.720 14 HA3 GLY 2 2HA GLY 2 -6.719 -24.110 -27.172 15 H HIS 3 H HIS 3 -7.392 -23.629 -24.874 16 HA HIS 3 HA HIS 3 -7.665 -24.323 -22.658 17 HB2 HIS 3 1HB HIS 3 -7.785 -26.554 -23.860 18 HB3 HIS 3 2HB HIS 3 -6.080 -26.771 -23.468 19 HD1 HIS 3 HD1 HIS 3 -5.463 -27.292 -21.034 20 HD2 HIS 3 HD2 HIS 3 -9.535 -26.569 -21.564 21 HE1 HIS 3 HE1 HIS 3 -6.596 -27.949 -18.866 22 H HIS 4 H HIS 4 -4.496 -25.827 -23.299 23 HA HIS 4 HA HIS 4 -3.362 -24.967 -20.838 24 HB2 HIS 4 1HB HIS 4 -2.071 -25.786 -23.454 25 HB3 HIS 4 2HB HIS 4 -1.164 -25.511 -21.966 26 HD1 HIS 4 HD1 HIS 4 -2.094 -27.004 -19.832 27 HD2 HIS 4 HD2 HIS 4 -3.054 -28.361 -23.655 28 HE1 HIS 4 HE1 HIS 4 -2.753 -29.437 -19.584 29 H HIS 5 H HIS 5 -3.263 -23.524 -24.078 30 HA HIS 5 HA HIS 5 -1.421 -21.435 -23.488 31 HB2 HIS 5 1HB HIS 5 -3.666 -21.688 -25.499 32 HB3 HIS 5 2HB HIS 5 -2.639 -20.256 -25.424 33 HD1 HIS 5 HD1 HIS 5 -0.182 -20.500 -26.169 34 HD2 HIS 5 HD2 HIS 5 -2.330 -24.066 -26.386 35 HE1 HIS 5 HE1 HIS 5 1.257 -22.124 -27.475 36 H HIS 6 H HIS 6 -4.968 -21.564 -23.190 37 HA HIS 6 HA HIS 6 -5.323 -18.832 -22.424 38 HB2 HIS 6 1HB HIS 6 -7.176 -20.346 -23.115 39 HB3 HIS 6 2HB HIS 6 -6.972 -21.245 -21.612 40 HD1 HIS 6 HD1 HIS 6 -7.574 -17.617 -22.661 41 HD2 HIS 6 HD2 HIS 6 -8.546 -20.253 -19.582 42 HE1 HIS 6 HE1 HIS 6 -9.138 -16.363 -21.111 43 H HIS 7 H HIS 7 -4.833 -21.784 -20.491 44 HA HIS 7 HA HIS 7 -4.677 -20.165 -18.010 45 HB2 HIS 7 1HB HIS 7 -4.582 -23.148 -18.518 46 HB3 HIS 7 2HB HIS 7 -4.458 -22.413 -16.919 47 HD1 HIS 7 HD1 HIS 7 -6.553 -20.580 -16.487 48 HD2 HIS 7 HD2 HIS 7 -7.203 -23.715 -19.157 49 HE1 HIS 7 HE1 HIS 7 -9.064 -20.813 -16.718 50 H HIS 8 H HIS 8 -2.841 -20.891 -16.475 51 HA HIS 8 HA HIS 8 -0.280 -20.671 -17.988 52 HB2 HIS 8 1HB HIS 8 -0.964 -20.191 -15.072 53 HB3 HIS 8 2HB HIS 8 0.648 -20.007 -15.764 54 HD1 HIS 8 HD1 HIS 8 0.904 -18.150 -17.667 55 HD2 HIS 8 HD2 HIS 8 -2.680 -18.026 -15.542 56 HE1 HIS 8 HE1 HIS 8 -0.144 -15.898 -18.162 57 H SER 9 H SER 9 0.573 -22.634 -18.419 58 HA SER 9 HA SER 9 0.058 -25.045 -16.989 59 HB2 SER 9 1HB SER 9 2.431 -24.303 -18.728 60 HB3 SER 9 2HB SER 9 2.002 -25.942 -18.240 61 HG SER 9 HG SER 9 1.145 -25.439 -20.288 62 H HIS 10 H HIS 10 2.695 -22.681 -16.748 63 HA HIS 10 HA HIS 10 4.271 -24.118 -14.846 64 HB2 HIS 10 1HB HIS 10 5.041 -22.112 -16.143 65 HB3 HIS 10 2HB HIS 10 4.003 -21.112 -15.127 66 HD1 HIS 10 HD1 HIS 10 4.653 -20.901 -12.591 67 HD2 HIS 10 HD2 HIS 10 7.423 -22.989 -14.903 68 HE1 HIS 10 HE1 HIS 10 6.758 -21.086 -11.194 69 H GLY 11 H GLY 11 1.584 -21.828 -14.483 70 HA2 GLY 11 1HA GLY 11 0.042 -21.779 -12.659 71 HA3 GLY 11 2HA GLY 11 1.105 -22.864 -11.758 72 H LYS 12 H LYS 12 2.639 -20.197 -13.284 73 HA LYS 12 HA LYS 12 3.643 -19.157 -10.814 74 HB2 LYS 12 1HB LYS 12 4.756 -18.871 -13.034 75 HB3 LYS 12 2HB LYS 12 3.476 -17.747 -13.495 76 HG2 LYS 12 1HG LYS 12 4.066 -16.264 -11.646 77 HG3 LYS 12 2HG LYS 12 5.294 -17.403 -11.094 78 HD2 LYS 12 1HD LYS 12 6.496 -17.140 -13.238 79 HD3 LYS 12 2HD LYS 12 5.275 -15.985 -13.775 80 HE2 LYS 12 1HE LYS 12 5.836 -14.498 -11.895 81 HE3 LYS 12 2HE LYS 12 7.039 -15.656 -11.330 82 HZ1 LYS 12 3HZ LYS 12 8.487 -15.044 -12.903 83 HZ2 LYS 12 1HZ LYS 12 7.557 -13.630 -13.004 84 HZ3 LYS 12 2HZ LYS 12 7.298 -14.897 -14.106 85 H SER 13 H SER 13 2.834 -17.635 -9.456 86 HA SER 13 HA SER 13 0.775 -15.730 -10.353 87 HB2 SER 13 1HB SER 13 -0.792 -16.402 -8.520 88 HB3 SER 13 2HB SER 13 -0.620 -17.637 -9.764 89 HG SER 13 HG SER 13 0.007 -18.903 -8.219 90 H ASP 14 H ASP 14 1.664 -13.890 -9.577 91 HA ASP 14 HA ASP 14 2.863 -13.900 -6.820 92 HB2 ASP 14 1HB ASP 14 4.191 -11.961 -7.574 93 HB3 ASP 14 2HB ASP 14 4.490 -13.364 -8.601 94 H PHE 15 H PHE 15 0.123 -13.693 -7.014 95 HA PHE 15 HA PHE 15 -0.441 -10.763 -6.652 96 HB2 PHE 15 1HB PHE 15 -2.196 -13.085 -7.488 97 HB3 PHE 15 2HB PHE 15 -2.864 -11.538 -6.963 98 HD1 PHE 15 HD1 PHE 15 -2.523 -9.505 -8.266 99 HD2 PHE 15 HD2 PHE 15 -0.962 -13.281 -9.588 100 HE1 PHE 15 HE1 PHE 15 -2.125 -8.552 -10.516 101 HE2 PHE 15 HE2 PHE 15 -0.563 -12.326 -11.842 102 HZ PHE 15 HZ PHE 15 -1.142 -9.959 -12.306 103 H ILE 16 H ILE 16 -1.316 -10.099 -4.728 104 HA ILE 16 HA ILE 16 -1.946 -12.179 -2.660 105 HB ILE 16 HB ILE 16 -0.877 -10.708 -0.979 106 HG12 ILE 16 1HG1 ILE 16 0.135 -9.152 -3.384 107 HG13 ILE 16 2HG1 ILE 16 -1.124 -8.579 -2.289 108 HG21 ILE 16 1HG2 ILE 16 0.341 -12.572 -2.225 109 HG22 ILE 16 2HG2 ILE 16 1.365 -11.345 -1.480 110 HG23 ILE 16 3HG2 ILE 16 1.064 -11.306 -3.218 111 HD11 ILE 16 3HD1 ILE 16 0.558 -8.944 -0.396 112 HD12 ILE 16 1HD1 ILE 16 0.899 -7.605 -1.491 113 HD13 ILE 16 2HD1 ILE 16 1.780 -9.124 -1.655 114 H LYS 17 H LYS 17 -3.482 -11.492 -1.076 115 HA LYS 17 HA LYS 17 -5.279 -9.305 -2.045 116 HB2 LYS 17 1HB LYS 17 -5.739 -11.747 -0.320 117 HB3 LYS 17 2HB LYS 17 -6.923 -10.446 -0.448 118 HG2 LYS 17 1HG LYS 17 -6.999 -10.741 -2.891 119 HG3 LYS 17 2HG LYS 17 -5.806 -12.037 -2.775 120 HD2 LYS 17 1HD LYS 17 -7.336 -13.376 -1.424 121 HD3 LYS 17 2HD LYS 17 -8.516 -12.065 -1.417 122 HE2 LYS 17 1HE LYS 17 -8.714 -12.215 -3.862 123 HE3 LYS 17 2HE LYS 17 -7.528 -13.520 -3.885 124 HZ1 LYS 17 3HZ LYS 17 -9.070 -14.986 -3.298 125 HZ2 LYS 17 1HZ LYS 17 -10.233 -13.789 -3.596 126 HZ3 LYS 17 2HZ LYS 17 -9.632 -14.014 -2.024 127 H VAL 18 H VAL 18 -5.270 -7.452 -0.915 128 HA VAL 18 HA VAL 18 -4.708 -7.515 2.016 129 HB VAL 18 HB VAL 18 -3.265 -5.499 1.759 130 HG11 VAL 18 1HG1 VAL 18 -1.299 -6.705 0.992 131 HG12 VAL 18 2HG1 VAL 18 -2.304 -7.864 0.122 132 HG13 VAL 18 3HG1 VAL 18 -2.330 -7.823 1.885 133 HG21 VAL 18 3HG2 VAL 18 -3.584 -6.153 -1.189 134 HG22 VAL 18 1HG2 VAL 18 -2.378 -5.039 -0.546 135 HG23 VAL 18 2HG2 VAL 18 -4.094 -4.672 -0.379 136 H ASN 19 H ASN 19 -5.396 -5.470 3.058 137 HA ASN 19 HA ASN 19 -7.825 -4.365 1.708 138 HB2 ASN 19 1HB ASN 19 -6.976 -4.517 4.613 139 HB3 ASN 19 2HB ASN 19 -8.396 -3.629 4.062 140 HD21 ASN 19 2HD2 ASN 19 -9.049 -5.612 1.927 141 HD22 ASN 19 1HD2 ASN 19 -9.653 -6.978 2.732 142 H VAL 20 H VAL 20 -8.056 -2.145 1.463 143 HA VAL 20 HA VAL 20 -5.703 -0.438 2.244 144 HB VAL 20 HB VAL 20 -7.356 -0.426 -0.298 145 HG11 VAL 20 1HG1 VAL 20 -7.120 1.877 0.241 146 HG12 VAL 20 2HG1 VAL 20 -5.794 1.540 -0.873 147 HG13 VAL 20 3HG1 VAL 20 -5.486 1.646 0.860 148 HG21 VAL 20 3HG2 VAL 20 -5.443 -2.009 -0.169 149 HG22 VAL 20 1HG2 VAL 20 -4.373 -0.661 0.215 150 HG23 VAL 20 2HG2 VAL 20 -5.163 -0.739 -1.361 151 H SER 21 H SER 21 -6.232 1.317 3.417 152 HA SER 21 HA SER 21 -9.046 2.330 3.370 153 HB2 SER 21 1HB SER 21 -8.726 0.810 5.339 154 HB3 SER 21 2HB SER 21 -7.423 1.859 5.890 155 HG SER 21 HG SER 21 -8.843 3.324 6.467 156 H ASN 22 H ASN 22 -9.198 4.563 3.978 157 HA ASN 22 HA ASN 22 -6.595 6.049 4.135 158 HB2 ASN 22 1HB ASN 22 -7.454 6.132 1.817 159 HB3 ASN 22 2HB ASN 22 -8.985 6.771 2.416 160 HD21 ASN 22 2HD2 ASN 22 -8.660 8.810 1.258 161 HD22 ASN 22 1HD2 ASN 22 -7.525 9.950 1.798 162 H SER 23 H SER 23 -6.621 7.769 5.523 163 HA SER 23 HA SER 23 -8.596 7.910 7.563 164 HB2 SER 23 1HB SER 23 -6.565 9.975 6.675 165 HB3 SER 23 2HB SER 23 -7.484 10.058 8.175 166 HG SER 23 HG SER 23 -5.459 8.280 7.388 167 H HIS 24 H HIS 24 -8.202 9.761 4.562 168 HA HIS 24 HA HIS 24 -10.734 11.249 5.156 169 HB2 HIS 24 1HB HIS 24 -8.495 11.737 3.176 170 HB3 HIS 24 2HB HIS 24 -10.001 12.654 3.180 171 HD1 HIS 24 HD1 HIS 24 -6.887 12.063 5.204 172 HD2 HIS 24 HD2 HIS 24 -10.273 14.491 5.322 173 HE1 HIS 24 HE1 HIS 24 -6.455 13.807 6.989 174 H ASN 25 H ASN 25 -12.370 11.336 3.547 175 HA ASN 25 HA ASN 25 -13.720 10.532 1.816 176 HB2 ASN 25 1HB ASN 25 -11.418 10.705 0.567 177 HB3 ASN 25 2HB ASN 25 -11.403 8.948 0.705 178 HD21 ASN 25 2HD2 ASN 25 -11.619 10.199 -1.857 179 HD22 ASN 25 1HD2 ASN 25 -13.166 9.883 -2.479 180 H ASP 26 H ASP 26 -14.951 8.646 1.401 181 HA ASP 26 HA ASP 26 -14.511 6.473 3.367 182 HB2 ASP 26 1HB ASP 26 -16.783 5.728 2.611 183 HB3 ASP 26 2HB ASP 26 -16.769 7.381 3.224 184 H ALA 27 H ALA 27 -13.319 7.093 0.432 185 HA ALA 27 HA ALA 27 -13.884 4.795 -1.156 186 HB1 ALA 27 3HB ALA 27 -12.674 6.807 -1.987 187 HB2 ALA 27 1HB ALA 27 -11.781 5.322 -2.315 188 HB3 ALA 27 2HB ALA 27 -11.292 6.369 -0.981 189 H VAL 28 H VAL 28 -13.714 2.781 -0.258 190 HA VAL 28 HA VAL 28 -11.088 2.021 0.980 191 HB VAL 28 HB VAL 28 -13.880 1.317 1.931 192 HG11 VAL 28 1HG1 VAL 28 -12.634 -0.715 2.078 193 HG12 VAL 28 2HG1 VAL 28 -12.575 -0.003 3.689 194 HG13 VAL 28 3HG1 VAL 28 -11.183 0.131 2.615 195 HG21 VAL 28 3HG2 VAL 28 -13.097 2.340 4.023 196 HG22 VAL 28 1HG2 VAL 28 -12.931 3.482 2.690 197 HG23 VAL 28 2HG2 VAL 28 -11.513 2.630 3.302 198 H ALA 29 H ALA 29 -10.242 0.162 0.140 199 HA ALA 29 HA ALA 29 -11.943 -1.387 -1.801 200 HB1 ALA 29 3HB ALA 29 -8.926 -1.428 -1.711 201 HB2 ALA 29 1HB ALA 29 -9.795 -0.153 -2.564 202 HB3 ALA 29 2HB ALA 29 -9.996 -1.835 -3.052 203 H PHE 30 H PHE 30 -11.893 -3.678 -1.670 204 HA PHE 30 HA PHE 30 -10.649 -4.805 0.828 205 HB2 PHE 30 1HB PHE 30 -13.332 -5.430 -0.430 206 HB3 PHE 30 2HB PHE 30 -12.612 -6.360 0.886 207 HD1 PHE 30 HD2 PHE 30 -12.089 -5.221 3.070 208 HD2 PHE 30 HD1 PHE 30 -14.402 -3.334 -0.018 209 HE1 PHE 30 HE2 PHE 30 -12.943 -3.573 4.716 210 HE2 PHE 30 HE1 PHE 30 -15.256 -1.686 1.627 211 HZ PHE 30 HZ PHE 30 -14.527 -1.808 3.994 212 H GLU 31 H GLU 31 -9.687 -6.801 0.653 213 HA GLU 31 HA GLU 31 -8.367 -8.388 -0.495 214 HB2 GLU 31 1HB GLU 31 -11.058 -8.829 -1.829 215 HB3 GLU 31 2HB GLU 31 -9.754 -10.010 -1.696 216 HG2 GLU 31 1HG GLU 31 -11.239 -8.755 0.634 217 HG3 GLU 31 2HG GLU 31 -11.468 -10.395 0.031 218 H VAL 32 H VAL 32 -8.047 -5.851 -1.668 219 HA VAL 32 HA VAL 32 -8.490 -6.005 -4.539 220 HB VAL 32 HB VAL 32 -8.280 -3.859 -3.221 221 HG11 VAL 32 1HG1 VAL 32 -6.279 -4.685 -1.896 222 HG12 VAL 32 2HG1 VAL 32 -6.112 -3.063 -2.569 223 HG13 VAL 32 3HG1 VAL 32 -5.310 -4.427 -3.345 224 HG21 VAL 32 3HG2 VAL 32 -6.512 -4.387 -5.617 225 HG22 VAL 32 1HG2 VAL 32 -6.779 -2.765 -4.977 226 HG23 VAL 32 2HG2 VAL 32 -8.137 -3.704 -5.600 227 H LYS 33 H LYS 33 -7.189 -6.931 -6.047 228 HA LYS 33 HA LYS 33 -4.861 -8.457 -5.156 229 HB2 LYS 33 1HB LYS 33 -6.221 -8.072 -7.826 230 HB3 LYS 33 2HB LYS 33 -4.736 -9.010 -7.660 231 HG2 LYS 33 1HG LYS 33 -5.840 -10.462 -5.998 232 HG3 LYS 33 2HG LYS 33 -7.328 -9.529 -6.174 233 HD2 LYS 33 1HD LYS 33 -7.537 -10.177 -8.493 234 HD3 LYS 33 2HD LYS 33 -5.951 -10.947 -8.468 235 HE2 LYS 33 1HE LYS 33 -7.687 -12.652 -8.249 236 HE3 LYS 33 2HE LYS 33 -6.777 -12.535 -6.745 237 HZ1 LYS 33 3HZ LYS 33 -9.403 -11.263 -7.301 238 HZ2 LYS 33 1HZ LYS 33 -8.517 -11.084 -5.867 239 HZ3 LYS 33 2HZ LYS 33 -9.134 -12.608 -6.297 240 H LEU 34 H LEU 34 -2.772 -7.843 -5.298 241 HA LEU 34 HA LEU 34 -2.011 -5.629 -7.143 242 HB2 LEU 34 1HB LEU 34 -1.388 -5.770 -4.178 243 HB3 LEU 34 2HB LEU 34 -0.588 -4.667 -5.295 244 HG LEU 34 HG LEU 34 -3.592 -4.777 -4.882 245 HD11 LEU 34 1HD1 LEU 34 -2.620 -4.035 -2.813 246 HD12 LEU 34 2HD1 LEU 34 -3.202 -2.599 -3.656 247 HD13 LEU 34 3HD1 LEU 34 -1.482 -2.987 -3.659 248 HD21 LEU 34 3HD2 LEU 34 -3.299 -3.751 -6.961 249 HD22 LEU 34 1HD2 LEU 34 -1.727 -3.075 -6.529 250 HD23 LEU 34 2HD2 LEU 34 -3.206 -2.354 -5.895 251 H ALA 35 H ALA 35 -0.324 -6.269 -8.321 252 HA ALA 35 HA ALA 35 1.002 -8.773 -7.857 253 HB1 ALA 35 3HB ALA 35 0.997 -8.181 -10.107 254 HB2 ALA 35 1HB ALA 35 2.625 -7.675 -9.659 255 HB3 ALA 35 2HB ALA 35 1.327 -6.486 -9.764 256 H LYS 36 H LYS 36 2.932 -9.216 -6.876 257 HA LYS 36 HA LYS 36 4.018 -7.263 -5.027 258 HB2 LYS 36 1HB LYS 36 4.980 -10.014 -5.846 259 HB3 LYS 36 2HB LYS 36 5.628 -9.087 -4.491 260 HG2 LYS 36 1HG LYS 36 3.355 -9.018 -3.487 261 HG3 LYS 36 2HG LYS 36 2.763 -10.031 -4.804 262 HD2 LYS 36 1HD LYS 36 5.043 -10.844 -2.988 263 HD3 LYS 36 2HD LYS 36 3.366 -11.268 -2.669 264 HE2 LYS 36 1HE LYS 36 3.338 -12.275 -5.037 265 HE3 LYS 36 2HE LYS 36 5.095 -12.135 -4.988 266 HZ1 LYS 36 3HZ LYS 36 4.065 -14.303 -4.198 267 HZ2 LYS 36 1HZ LYS 36 3.603 -13.446 -2.808 268 HZ3 LYS 36 2HZ LYS 36 5.247 -13.591 -3.208 269 H ASP 37 H ASP 37 4.663 -8.077 -8.304 270 HA ASP 37 HA ASP 37 7.476 -7.246 -8.246 271 HB2 ASP 37 1HB ASP 37 7.300 -7.431 -10.730 272 HB3 ASP 37 2HB ASP 37 6.761 -8.894 -9.906 273 H LEU 38 H LEU 38 4.648 -5.568 -7.945 274 HA LEU 38 HA LEU 38 5.240 -3.323 -9.724 275 HB2 LEU 38 1HB LEU 38 3.273 -3.733 -7.465 276 HB3 LEU 38 2HB LEU 38 3.410 -2.204 -8.328 277 HG LEU 38 HG LEU 38 2.958 -4.841 -9.745 278 HD11 LEU 38 1HD1 LEU 38 0.552 -4.097 -9.859 279 HD12 LEU 38 2HD1 LEU 38 0.946 -2.832 -8.693 280 HD13 LEU 38 3HD1 LEU 38 1.087 -4.531 -8.236 281 HD21 LEU 38 3HD2 LEU 38 3.649 -3.264 -11.352 282 HD22 LEU 38 1HD2 LEU 38 2.861 -1.921 -10.524 283 HD23 LEU 38 2HD2 LEU 38 1.900 -3.102 -11.410 284 H THR 39 H THR 39 6.133 -1.340 -9.146 285 HA THR 39 HA THR 39 7.862 -1.372 -6.770 286 HB THR 39 HB THR 39 8.737 0.748 -7.672 287 HG1 THR 39 HG1 THR 39 7.764 1.735 -9.307 288 HG21 THR 39 3HG2 THR 39 8.381 -1.477 -9.697 289 HG22 THR 39 1HG2 THR 39 9.694 -1.310 -8.532 290 HG23 THR 39 2HG2 THR 39 9.542 -0.160 -9.861 291 H VAL 40 H VAL 40 7.942 0.644 -5.404 292 HA VAL 40 HA VAL 40 5.423 1.098 -4.138 293 HB VAL 40 HB VAL 40 8.070 2.557 -3.996 294 HG11 VAL 40 1HG1 VAL 40 7.059 3.403 -1.771 295 HG12 VAL 40 2HG1 VAL 40 5.498 2.985 -2.479 296 HG13 VAL 40 3HG1 VAL 40 6.529 4.184 -3.260 297 HG21 VAL 40 3HG2 VAL 40 7.869 0.149 -3.210 298 HG22 VAL 40 1HG2 VAL 40 6.737 0.726 -1.988 299 HG23 VAL 40 2HG2 VAL 40 8.408 1.293 -1.980 300 H ALA 41 H ALA 41 7.337 3.118 -6.374 301 HA ALA 41 HA ALA 41 5.621 5.388 -6.342 302 HB1 ALA 41 3HB ALA 41 7.342 4.327 -8.605 303 HB2 ALA 41 1HB ALA 41 7.877 5.423 -7.329 304 HB3 ALA 41 2HB ALA 41 6.676 5.958 -8.505 305 H GLN 42 H GLN 42 5.573 2.460 -8.360 306 HA GLN 42 HA GLN 42 3.411 3.303 -10.044 307 HB2 GLN 42 1HB GLN 42 4.448 0.567 -9.272 308 HB3 GLN 42 2HB GLN 42 3.152 0.807 -10.447 309 HG2 GLN 42 1HG GLN 42 4.620 2.194 -11.830 310 HG3 GLN 42 2HG GLN 42 5.914 2.049 -10.641 311 HE21 GLN 42 2HE2 GLN 42 7.448 0.690 -11.612 312 HE22 GLN 42 1HE2 GLN 42 7.091 -0.812 -12.317 313 H LEU 43 H LEU 43 3.556 1.821 -6.856 314 HA LEU 43 HA LEU 43 0.748 1.139 -6.762 315 HB2 LEU 43 1HB LEU 43 2.424 0.045 -5.298 316 HB3 LEU 43 2HB LEU 43 2.699 1.581 -4.479 317 HG LEU 43 HG LEU 43 0.332 1.629 -3.768 318 HD11 LEU 43 1HD1 LEU 43 -0.839 -0.736 -4.051 319 HD12 LEU 43 2HD1 LEU 43 0.215 -0.857 -5.461 320 HD13 LEU 43 3HD1 LEU 43 -0.944 0.466 -5.334 321 HD21 LEU 43 3HD2 LEU 43 0.544 -0.002 -2.050 322 HD22 LEU 43 1HD2 LEU 43 2.199 0.440 -2.469 323 HD23 LEU 43 2HD2 LEU 43 1.507 -1.066 -3.074 324 H LYS 44 H LYS 44 2.671 3.949 -5.748 325 HA LYS 44 HA LYS 44 0.648 5.318 -4.293 326 HB2 LYS 44 1HB LYS 44 3.002 6.318 -5.912 327 HB3 LYS 44 2HB LYS 44 1.964 7.400 -4.985 328 HG2 LYS 44 1HG LYS 44 2.478 6.140 -2.928 329 HG3 LYS 44 2HG LYS 44 3.514 5.051 -3.854 330 HD2 LYS 44 1HD LYS 44 4.980 6.898 -4.469 331 HD3 LYS 44 2HD LYS 44 3.914 8.048 -3.666 332 HE2 LYS 44 1HE LYS 44 5.176 5.736 -2.189 333 HE3 LYS 44 2HE LYS 44 5.979 7.298 -2.345 334 HZ1 LYS 44 3HZ LYS 44 4.733 7.241 -0.315 335 HZ2 LYS 44 1HZ LYS 44 3.319 6.785 -1.132 336 HZ3 LYS 44 2HZ LYS 44 3.982 8.330 -1.382 337 H THR 45 H THR 45 1.499 5.512 -7.747 338 HA THR 45 HA THR 45 -0.503 7.439 -8.423 339 HB THR 45 HB THR 45 1.263 7.040 -9.999 340 HG1 THR 45 HG1 THR 45 -0.589 5.719 -11.483 341 HG21 THR 45 3HG2 THR 45 1.733 4.710 -9.296 342 HG22 THR 45 1HG2 THR 45 1.645 4.870 -11.046 343 HG23 THR 45 2HG2 THR 45 0.293 4.177 -10.156 344 H LYS 46 H LYS 46 -0.553 3.875 -8.368 345 HA LYS 46 HA LYS 46 -3.193 3.577 -9.436 346 HB2 LYS 46 1HB LYS 46 -1.536 1.856 -7.575 347 HB3 LYS 46 2HB LYS 46 -3.122 1.361 -8.167 348 HG2 LYS 46 1HG LYS 46 -2.347 1.554 -10.482 349 HG3 LYS 46 2HG LYS 46 -0.771 2.117 -9.926 350 HD2 LYS 46 1HD LYS 46 -0.404 -0.017 -8.763 351 HD3 LYS 46 2HD LYS 46 -1.991 -0.584 -9.285 352 HE2 LYS 46 1HE LYS 46 -1.298 -0.386 -11.639 353 HE3 LYS 46 2HE LYS 46 0.284 0.204 -11.131 354 HZ1 LYS 46 3HZ LYS 46 0.831 -1.845 -10.204 355 HZ2 LYS 46 1HZ LYS 46 0.069 -2.255 -11.662 356 HZ3 LYS 46 2HZ LYS 46 -0.777 -2.391 -10.195 357 H LEU 47 H LEU 47 -2.012 3.873 -6.083 358 HA LEU 47 HA LEU 47 -4.610 3.712 -4.871 359 HB2 LEU 47 1HB LEU 47 -2.016 4.947 -3.917 360 HB3 LEU 47 2HB LEU 47 -3.454 4.810 -2.910 361 HG LEU 47 HG LEU 47 -2.112 2.451 -4.265 362 HD11 LEU 47 1HD1 LEU 47 -1.882 3.442 -1.409 363 HD12 LEU 47 2HD1 LEU 47 -0.604 3.488 -2.623 364 HD13 LEU 47 3HD1 LEU 47 -1.197 1.939 -2.025 365 HD21 LEU 47 3HD2 LEU 47 -4.433 2.788 -2.366 366 HD22 LEU 47 1HD2 LEU 47 -3.454 1.326 -2.267 367 HD23 LEU 47 2HD2 LEU 47 -4.282 1.727 -3.766 368 H GLU 48 H GLU 48 -2.649 6.407 -6.061 369 HA GLU 48 HA GLU 48 -4.105 8.587 -5.084 370 HB2 GLU 48 1HB GLU 48 -2.034 8.840 -6.375 371 HB3 GLU 48 2HB GLU 48 -2.838 8.234 -7.821 372 HG2 GLU 48 1HG GLU 48 -2.708 10.687 -7.861 373 HG3 GLU 48 2HG GLU 48 -4.388 10.168 -7.761 374 H ILE 49 H ILE 49 -4.722 6.751 -8.093 375 HA ILE 49 HA ILE 49 -7.066 8.234 -8.798 376 HB ILE 49 HB ILE 49 -6.182 5.420 -9.496 377 HG12 ILE 49 1HG1 ILE 49 -6.175 7.957 -11.155 378 HG13 ILE 49 2HG1 ILE 49 -4.783 7.418 -10.216 379 HG21 ILE 49 1HG2 ILE 49 -7.822 5.779 -11.433 380 HG22 ILE 49 2HG2 ILE 49 -8.498 7.098 -10.476 381 HG23 ILE 49 3HG2 ILE 49 -8.540 5.447 -9.856 382 HD11 ILE 49 3HD1 ILE 49 -4.854 6.711 -12.690 383 HD12 ILE 49 1HD1 ILE 49 -6.142 5.604 -12.214 384 HD13 ILE 49 2HD1 ILE 49 -4.535 5.444 -11.506 385 H LEU 50 H LEU 50 -6.643 5.195 -6.981 386 HA LEU 50 HA LEU 50 -9.419 4.662 -6.598 387 HB2 LEU 50 1HB LEU 50 -6.909 3.856 -5.142 388 HB3 LEU 50 2HB LEU 50 -8.483 3.365 -4.525 389 HG LEU 50 HG LEU 50 -7.829 2.891 -7.434 390 HD11 LEU 50 1HD1 LEU 50 -5.904 1.945 -6.317 391 HD12 LEU 50 2HD1 LEU 50 -6.983 0.619 -6.751 392 HD13 LEU 50 3HD1 LEU 50 -6.926 1.200 -5.088 393 HD21 LEU 50 3HD2 LEU 50 -9.465 1.170 -7.248 394 HD22 LEU 50 1HD2 LEU 50 -10.129 2.500 -6.303 395 HD23 LEU 50 2HD2 LEU 50 -9.357 1.142 -5.488 396 H THR 51 H THR 51 -7.097 6.501 -4.613 397 HA THR 51 HA THR 51 -9.273 7.190 -2.706 398 HB THR 51 HB THR 51 -7.332 8.382 -1.528 399 HG1 THR 51 HG1 THR 51 -6.164 8.094 -3.735 400 HG21 THR 51 3HG2 THR 51 -6.374 6.246 -0.703 401 HG22 THR 51 1HG2 THR 51 -7.147 5.399 -2.043 402 HG23 THR 51 2HG2 THR 51 -8.133 6.182 -0.808 403 H GLY 52 H GLY 52 -7.773 8.444 -5.503 404 HA2 GLY 52 1HA GLY 52 -7.901 10.537 -6.553 405 HA3 GLY 52 2HA GLY 52 -9.426 10.718 -5.684 406 H GLY 53 H GLY 53 -6.582 10.199 -3.793 407 HA2 GLY 53 1HA GLY 53 -6.929 12.797 -2.507 408 HA3 GLY 53 2HA GLY 53 -5.733 11.577 -2.068 409 H CYS 54 H CYS 54 -3.689 12.282 -2.378 410 HA CYS 54 HA CYS 54 -3.002 13.709 -4.883 411 HB2 CYS 54 1HB CYS 54 -2.905 14.899 -2.132 412 HB3 CYS 54 2HB CYS 54 -1.629 15.329 -3.270 413 HG CYS 54 HG CYS 54 -4.661 15.932 -3.712 414 H ALA 55 H ALA 55 -1.439 12.391 -5.625 415 HA ALA 55 HA ALA 55 0.184 10.664 -4.054 416 HB1 ALA 55 3HB ALA 55 -0.174 10.316 -6.453 417 HB2 ALA 55 1HB ALA 55 1.550 10.432 -6.107 418 HB3 ALA 55 2HB ALA 55 0.698 11.806 -6.814 419 H GLY 56 H GLY 56 0.509 14.040 -4.832 420 HA2 GLY 56 1HA GLY 56 3.361 14.154 -4.186 421 HA3 GLY 56 2HA GLY 56 2.310 15.536 -4.493 422 H THR 57 H THR 57 0.589 13.837 -2.312 423 HA THR 57 HA THR 57 2.004 14.983 0.076 424 HB THR 57 HB THR 57 -0.022 15.910 0.914 425 HG1 THR 57 HG1 THR 57 -1.998 15.501 -0.069 426 HG21 THR 57 3HG2 THR 57 -0.729 17.449 -0.881 427 HG22 THR 57 1HG2 THR 57 0.067 16.422 -2.073 428 HG23 THR 57 2HG2 THR 57 1.024 17.265 -0.856 429 H MET 58 H MET 58 -0.829 12.960 -0.804 430 HA MET 58 HA MET 58 -1.194 11.515 1.510 431 HB2 MET 58 1HB MET 58 -2.012 9.665 0.147 432 HB3 MET 58 2HB MET 58 -2.500 11.193 -0.583 433 HG2 MET 58 1HG MET 58 -1.550 10.436 -2.517 434 HG3 MET 58 2HG MET 58 0.015 10.678 -1.739 435 HE1 MET 58 3HE MET 58 -1.920 8.068 -3.703 436 HE2 MET 58 1HE MET 58 -2.950 8.517 -2.337 437 HE3 MET 58 2HE MET 58 -2.339 6.870 -2.481 438 H LYS 59 H LYS 59 -0.286 9.723 2.504 439 HA LYS 59 HA LYS 59 2.415 8.837 1.524 440 HB2 LYS 59 1HB LYS 59 1.459 9.329 4.353 441 HB3 LYS 59 2HB LYS 59 2.993 8.558 3.948 442 HG2 LYS 59 1HG LYS 59 3.642 10.568 2.654 443 HG3 LYS 59 2HG LYS 59 2.135 11.348 3.127 444 HD2 LYS 59 1HD LYS 59 4.146 10.298 5.135 445 HD3 LYS 59 2HD LYS 59 4.177 11.952 4.529 446 HE2 LYS 59 1HE LYS 59 1.720 12.106 5.279 447 HE3 LYS 59 2HE LYS 59 2.018 10.612 6.167 448 HZ1 LYS 59 3HZ LYS 59 3.376 13.218 6.504 449 HZ2 LYS 59 1HZ LYS 59 3.970 11.778 7.174 450 HZ3 LYS 59 2HZ LYS 59 2.448 12.367 7.645 451 H VAL 60 H VAL 60 2.927 6.627 1.961 452 HA VAL 60 HA VAL 60 0.541 4.885 2.525 453 HB VAL 60 HB VAL 60 2.955 4.479 0.737 454 HG11 VAL 60 1HG1 VAL 60 1.739 2.250 0.239 455 HG12 VAL 60 2HG1 VAL 60 0.911 2.511 1.775 456 HG13 VAL 60 3HG1 VAL 60 2.667 2.351 1.734 457 HG21 VAL 60 3HG2 VAL 60 1.354 4.414 -1.035 458 HG22 VAL 60 1HG2 VAL 60 0.900 5.795 -0.036 459 HG23 VAL 60 2HG2 VAL 60 0.005 4.280 0.094 460 H GLN 61 H GLN 61 0.717 3.517 4.227 461 HA GLN 61 HA GLN 61 3.428 2.927 5.347 462 HB2 GLN 61 1HB GLN 61 0.966 3.833 6.854 463 HB3 GLN 61 2HB GLN 61 2.370 3.105 7.635 464 HG2 GLN 61 1HG GLN 61 3.808 4.886 6.784 465 HG3 GLN 61 2HG GLN 61 2.455 5.591 5.902 466 HE21 GLN 61 2HE2 GLN 61 4.118 6.685 8.228 467 HE22 GLN 61 1HE2 GLN 61 2.967 7.119 9.399 468 H VAL 62 H VAL 62 3.577 0.874 6.361 469 HA VAL 62 HA VAL 62 1.415 -1.022 5.548 470 HB VAL 62 HB VAL 62 4.258 -1.571 6.465 471 HG11 VAL 62 1HG1 VAL 62 3.784 -3.832 5.520 472 HG12 VAL 62 2HG1 VAL 62 2.112 -3.340 5.252 473 HG13 VAL 62 3HG1 VAL 62 2.747 -3.449 6.892 474 HG21 VAL 62 3HG2 VAL 62 4.807 -1.872 4.153 475 HG22 VAL 62 1HG2 VAL 62 3.944 -0.337 4.246 476 HG23 VAL 62 2HG2 VAL 62 3.113 -1.782 3.670 477 H PHE 63 H PHE 63 0.193 -2.004 7.068 478 HA PHE 63 HA PHE 63 1.056 -1.852 9.942 479 HB2 PHE 63 1HB PHE 63 -1.604 -1.211 8.668 480 HB3 PHE 63 2HB PHE 63 -1.537 -1.770 10.340 481 HD1 PHE 63 HD1 PHE 63 -0.311 -0.490 12.050 482 HD2 PHE 63 HD2 PHE 63 -0.808 0.991 8.048 483 HE1 PHE 63 HE1 PHE 63 0.321 1.783 12.814 484 HE2 PHE 63 HE2 PHE 63 -0.176 3.265 8.815 485 HZ PHE 63 HZ PHE 63 0.388 3.660 11.195 486 H LYS 64 H LYS 64 0.663 -3.665 11.150 487 HA LYS 64 HA LYS 64 -0.730 -5.965 9.858 488 HB2 LYS 64 1HB LYS 64 1.717 -6.201 9.496 489 HB3 LYS 64 2HB LYS 64 1.970 -6.127 11.238 490 HG2 LYS 64 1HG LYS 64 0.549 -8.123 11.530 491 HG3 LYS 64 2HG LYS 64 0.296 -8.201 9.788 492 HD2 LYS 64 1HD LYS 64 3.069 -8.249 10.989 493 HD3 LYS 64 2HD LYS 64 2.129 -9.724 10.787 494 HE2 LYS 64 1HE LYS 64 1.871 -9.101 8.340 495 HE3 LYS 64 2HE LYS 64 3.053 -7.823 8.615 496 HZ1 LYS 64 3HZ LYS 64 4.295 -9.906 9.708 497 HZ2 LYS 64 1HZ LYS 64 4.499 -9.431 8.093 498 HZ3 LYS 64 2HZ LYS 64 3.426 -10.691 8.477 499 H GLY 65 H GLY 65 -2.435 -5.374 11.358 500 HA2 GLY 65 1HA GLY 65 -3.605 -6.016 13.312 501 HA3 GLY 65 2HA GLY 65 -2.108 -6.687 13.957 502 H ASP 66 H ASP 66 -1.594 -5.661 15.802 503 HA ASP 66 HA ASP 66 -2.296 -2.787 16.153 504 HB2 ASP 66 1HB ASP 66 -1.701 -3.242 18.547 505 HB3 ASP 66 2HB ASP 66 -2.997 -4.277 17.946 506 H THR 67 H THR 67 0.204 -4.330 14.822 507 HA THR 67 HA THR 67 2.264 -2.482 16.004 508 HB THR 67 HB THR 67 2.682 -5.249 14.840 509 HG1 THR 67 HG1 THR 67 2.869 -5.891 16.895 510 HG21 THR 67 3HG2 THR 67 4.554 -3.202 16.049 511 HG22 THR 67 1HG2 THR 67 4.598 -3.850 14.409 512 HG23 THR 67 2HG2 THR 67 4.996 -4.888 15.778 513 H CYS 68 H CYS 68 3.226 -1.140 14.576 514 HA CYS 68 HA CYS 68 2.406 -1.223 11.756 515 HB2 CYS 68 1HB CYS 68 3.997 0.831 11.693 516 HB3 CYS 68 2HB CYS 68 2.510 0.965 12.630 517 HG CYS 68 HG CYS 68 3.842 1.152 14.717 518 H VAL 69 H VAL 69 3.518 -2.398 10.284 519 HA VAL 69 HA VAL 69 6.011 -3.695 10.845 520 HB VAL 69 HB VAL 69 4.642 -3.115 8.205 521 HG11 VAL 69 1HG1 VAL 69 6.049 -5.101 7.452 522 HG12 VAL 69 2HG1 VAL 69 6.987 -4.882 8.928 523 HG13 VAL 69 3HG1 VAL 69 6.934 -3.600 7.718 524 HG21 VAL 69 3HG2 VAL 69 4.642 -5.502 10.073 525 HG22 VAL 69 1HG2 VAL 69 3.964 -5.526 8.445 526 HG23 VAL 69 2HG2 VAL 69 3.270 -4.470 9.675 527 H SER 70 H SER 70 5.240 -0.813 8.874 528 HA SER 70 HA SER 70 7.427 0.758 9.531 529 HB2 SER 70 1HB SER 70 8.169 -1.447 7.678 530 HB3 SER 70 2HB SER 70 8.806 0.145 7.274 531 HG SER 70 HG SER 70 10.065 0.045 8.952 532 H THR 71 H THR 71 8.161 2.098 7.377 533 HA THR 71 HA THR 71 5.650 2.713 5.858 534 HB THR 71 HB THR 71 7.802 4.604 6.840 535 HG1 THR 71 HG1 THR 71 6.526 4.658 8.488 536 HG21 THR 71 3HG2 THR 71 7.072 5.413 4.720 537 HG22 THR 71 1HG2 THR 71 6.161 6.330 5.920 538 HG23 THR 71 2HG2 THR 71 5.394 4.995 5.061 539 H MET 72 H MET 72 5.845 2.732 3.666 540 HA MET 72 HA MET 72 8.249 1.740 2.437 541 HB2 MET 72 1HB MET 72 5.762 3.013 1.264 542 HB3 MET 72 2HB MET 72 7.042 2.281 0.294 543 HG2 MET 72 1HG MET 72 6.716 0.139 1.465 544 HG3 MET 72 2HG MET 72 5.443 0.862 2.447 545 HE1 MET 72 3HE MET 72 3.620 -1.604 0.177 546 HE2 MET 72 1HE MET 72 3.214 -0.662 1.617 547 HE3 MET 72 2HE MET 72 4.769 -1.480 1.506 548 H ASP 73 H ASP 73 9.887 3.234 3.078 549 HA ASP 73 HA ASP 73 9.701 6.029 2.104 550 HB2 ASP 73 1HB ASP 73 11.767 4.529 3.739 551 HB3 ASP 73 2HB ASP 73 11.965 6.206 3.230 552 H ASN 74 H ASN 74 11.112 2.974 1.247 553 HA ASN 74 HA ASN 74 13.080 4.185 -0.591 554 HB2 ASN 74 1HB ASN 74 12.341 1.330 0.080 555 HB3 ASN 74 2HB ASN 74 13.539 1.751 -1.144 556 HD21 ASN 74 2HD2 ASN 74 13.248 0.984 2.113 557 HD22 ASN 74 1HD2 ASN 74 14.676 1.705 2.681 558 H ASN 75 H ASN 75 12.171 5.057 -2.374 559 HA ASN 75 HA ASN 75 9.781 4.090 -3.646 560 HB2 ASN 75 1HB ASN 75 11.989 5.941 -4.578 561 HB3 ASN 75 2HB ASN 75 10.537 5.613 -5.526 562 HD21 ASN 75 2HD2 ASN 75 11.133 8.238 -4.494 563 HD22 ASN 75 1HD2 ASN 75 9.954 8.627 -3.339 564 H ASP 76 H ASP 76 13.226 3.524 -4.149 565 HA ASP 76 HA ASP 76 12.878 2.067 -6.635 566 HB2 ASP 76 1HB ASP 76 15.171 2.255 -4.660 567 HB3 ASP 76 2HB ASP 76 15.267 1.360 -6.176 568 H ALA 77 H ALA 77 12.095 1.292 -3.474 569 HA ALA 77 HA ALA 77 12.884 -1.528 -3.552 570 HB1 ALA 77 3HB ALA 77 12.741 -0.439 -1.392 571 HB2 ALA 77 1HB ALA 77 11.494 -1.681 -1.472 572 HB3 ALA 77 2HB ALA 77 11.062 0.016 -1.686 573 H GLN 78 H GLN 78 11.405 -3.299 -3.705 574 HA GLN 78 HA GLN 78 9.207 -2.813 -5.583 575 HB2 GLN 78 1HB GLN 78 10.333 -5.333 -4.353 576 HB3 GLN 78 2HB GLN 78 9.006 -5.317 -5.516 577 HG2 GLN 78 1HG GLN 78 10.425 -4.217 -7.172 578 HG3 GLN 78 2HG GLN 78 11.749 -4.127 -6.011 579 HE21 GLN 78 2HE2 GLN 78 10.623 -5.960 -8.571 580 HE22 GLN 78 1HE2 GLN 78 11.380 -7.433 -8.201 581 H LEU 79 H LEU 79 7.050 -3.796 -5.203 582 HA LEU 79 HA LEU 79 5.888 -2.912 -2.747 583 HB2 LEU 79 1HB LEU 79 4.564 -3.090 -4.803 584 HB3 LEU 79 2HB LEU 79 4.829 -4.830 -4.853 585 HG LEU 79 HG LEU 79 3.572 -5.123 -2.777 586 HD11 LEU 79 1HD1 LEU 79 3.971 -3.221 -1.464 587 HD12 LEU 79 2HD1 LEU 79 2.303 -2.974 -1.971 588 HD13 LEU 79 3HD1 LEU 79 3.607 -2.106 -2.782 589 HD21 LEU 79 3HD2 LEU 79 2.233 -3.419 -4.893 590 HD22 LEU 79 1HD2 LEU 79 1.340 -4.205 -3.590 591 HD23 LEU 79 2HD2 LEU 79 2.228 -5.178 -4.763 592 H GLY 80 H GLY 80 6.878 -6.130 -3.903 593 HA2 GLY 80 1HA GLY 80 5.921 -7.492 -1.524 594 HA3 GLY 80 2HA GLY 80 6.998 -8.176 -2.740 595 H TYR 81 H TYR 81 8.453 -5.368 -1.977 596 HA TYR 81 HA TYR 81 10.586 -6.585 -0.519 597 HB2 TYR 81 1HB TYR 81 10.801 -4.483 -1.855 598 HB3 TYR 81 2HB TYR 81 9.851 -3.644 -0.626 599 HD1 TYR 81 HD1 TYR 81 13.061 -5.263 -1.390 600 HD2 TYR 81 HD2 TYR 81 10.766 -3.212 1.605 601 HE1 TYR 81 HE1 TYR 81 15.116 -4.936 -0.041 602 HE2 TYR 81 HE2 TYR 81 12.821 -2.883 2.955 603 HH TYR 81 HH TYR 81 15.116 -4.130 3.142 604 H TYR 82 H TYR 82 7.880 -4.522 0.543 605 HA TYR 82 HA TYR 82 8.593 -5.069 3.389 606 HB2 TYR 82 1HB TYR 82 6.575 -3.163 2.157 607 HB3 TYR 82 2HB TYR 82 6.908 -3.311 3.882 608 HD1 TYR 82 HD2 TYR 82 9.297 -2.888 4.700 609 HD2 TYR 82 HD1 TYR 82 7.933 -1.795 0.776 610 HE1 TYR 82 HE2 TYR 82 11.199 -1.312 4.476 611 HE2 TYR 82 HE1 TYR 82 9.835 -0.220 0.553 612 HH TYR 82 HH TYR 82 11.675 0.814 3.123 613 H ALA 83 H ALA 83 6.183 -5.720 0.931 614 HA ALA 83 HA ALA 83 4.412 -7.056 2.926 615 HB1 ALA 83 3HB ALA 83 3.190 -5.670 1.410 616 HB2 ALA 83 1HB ALA 83 2.917 -7.325 0.868 617 HB3 ALA 83 2HB ALA 83 4.068 -6.297 0.015 618 H ASN 84 H ASN 84 4.075 -9.264 2.878 619 HA ASN 84 HA ASN 84 4.994 -10.962 0.716 620 HB2 ASN 84 1HB ASN 84 7.148 -10.328 1.909 621 HB3 ASN 84 2HB ASN 84 6.527 -11.183 3.320 622 HD21 ASN 84 2HD2 ASN 84 8.025 -12.956 3.256 623 HD22 ASN 84 1HD2 ASN 84 8.061 -14.081 1.985 624 H SER 85 H SER 85 2.663 -10.409 2.508 625 HA SER 85 HA SER 85 2.065 -13.235 3.180 626 HB2 SER 85 1HB SER 85 1.800 -10.981 5.190 627 HB3 SER 85 2HB SER 85 1.255 -12.637 5.432 628 HG SER 85 HG SER 85 3.746 -11.562 5.648 629 H ASP 86 H ASP 86 -0.222 -13.625 3.293 630 HA ASP 86 HA ASP 86 -1.829 -11.604 1.828 631 HB2 ASP 86 1HB ASP 86 -1.789 -14.032 1.142 632 HB3 ASP 86 2HB ASP 86 -2.617 -14.414 2.654 633 H GLY 87 H GLY 87 -3.053 -10.200 2.980 634 HA2 GLY 87 1HA GLY 87 -5.037 -10.082 4.552 635 HA3 GLY 87 2HA GLY 87 -4.088 -11.052 5.677 636 H LEU 88 H LEU 88 -2.184 -8.853 3.927 637 HA LEU 88 HA LEU 88 -1.536 -7.356 6.323 638 HB2 LEU 88 1HB LEU 88 -0.834 -6.796 3.423 639 HB3 LEU 88 2HB LEU 88 -0.079 -6.040 4.825 640 HG LEU 88 HG LEU 88 -0.059 -9.015 4.229 641 HD11 LEU 88 1HD1 LEU 88 2.257 -8.714 3.608 642 HD12 LEU 88 2HD1 LEU 88 2.215 -7.018 4.086 643 HD13 LEU 88 3HD1 LEU 88 1.302 -7.559 2.678 644 HD21 LEU 88 3HD2 LEU 88 0.986 -7.314 6.491 645 HD22 LEU 88 1HD2 LEU 88 1.853 -8.782 6.035 646 HD23 LEU 88 2HD2 LEU 88 0.175 -8.881 6.557 647 H ARG 89 H ARG 89 -1.929 -5.116 6.697 648 HA ARG 89 HA ARG 89 -4.305 -4.009 5.219 649 HB2 ARG 89 1HB ARG 89 -4.744 -4.599 7.603 650 HB3 ARG 89 2HB ARG 89 -3.454 -3.499 8.090 651 HG2 ARG 89 1HG ARG 89 -4.652 -1.617 7.044 652 HG3 ARG 89 2HG ARG 89 -5.937 -2.713 6.535 653 HD2 ARG 89 1HD ARG 89 -6.305 -3.301 8.946 654 HD3 ARG 89 2HD ARG 89 -5.138 -2.054 9.384 655 HE ARG 89 HE ARG 89 -7.860 -1.596 8.351 656 HH11 ARG 89 1HH2 ARG 89 -4.698 -0.370 9.016 657 HH12 ARG 89 2HH2 ARG 89 -5.213 1.280 9.077 658 HH21 ARG 89 1HH1 ARG 89 -8.538 0.554 8.418 659 HH22 ARG 89 2HH1 ARG 89 -7.383 1.804 8.737 660 H LEU 90 H LEU 90 -3.889 -2.202 4.113 661 HA LEU 90 HA LEU 90 -1.397 -0.654 4.719 662 HB2 LEU 90 1HB LEU 90 -3.115 -0.684 2.218 663 HB3 LEU 90 2HB LEU 90 -1.576 0.158 2.415 664 HG LEU 90 HG LEU 90 -1.977 -2.844 2.616 665 HD11 LEU 90 1HD1 LEU 90 -2.211 -2.057 0.319 666 HD12 LEU 90 2HD1 LEU 90 -0.659 -2.874 0.502 667 HD13 LEU 90 3HD1 LEU 90 -0.729 -1.113 0.463 668 HD21 LEU 90 3HD2 LEU 90 -0.117 -2.430 3.976 669 HD22 LEU 90 1HD2 LEU 90 0.385 -1.018 3.043 670 HD23 LEU 90 2HD2 LEU 90 0.652 -2.641 2.406 671 H HIS 91 H HIS 91 -1.574 1.408 5.401 672 HA HIS 91 HA HIS 91 -4.302 2.677 5.420 673 HB2 HIS 91 1HB HIS 91 -3.413 2.047 7.677 674 HB3 HIS 91 2HB HIS 91 -2.030 3.105 7.384 675 HD1 HIS 91 HD1 HIS 91 -5.840 3.381 7.265 676 HD2 HIS 91 HD2 HIS 91 -2.504 5.677 8.248 677 HE1 HIS 91 HE1 HIS 91 -6.721 5.603 8.098 678 H VAL 92 H VAL 92 -4.426 4.541 4.302 679 HA VAL 92 HA VAL 92 -1.881 5.872 3.435 680 HB VAL 92 HB VAL 92 -4.674 5.824 2.255 681 HG11 VAL 92 1HG1 VAL 92 -2.271 7.533 1.587 682 HG12 VAL 92 2HG1 VAL 92 -3.926 8.055 1.900 683 HG13 VAL 92 3HG1 VAL 92 -3.539 7.199 0.408 684 HG21 VAL 92 3HG2 VAL 92 -3.073 3.886 1.886 685 HG22 VAL 92 1HG2 VAL 92 -2.012 5.022 1.051 686 HG23 VAL 92 2HG2 VAL 92 -3.623 4.689 0.415 687 H VAL 93 H VAL 93 -1.473 7.865 4.243 688 HA VAL 93 HA VAL 93 -3.613 9.236 5.823 689 HB VAL 93 HB VAL 93 -0.629 9.778 5.781 690 HG11 VAL 93 1HG1 VAL 93 -1.213 10.786 8.036 691 HG12 VAL 93 2HG1 VAL 93 -2.911 10.594 7.598 692 HG13 VAL 93 3HG1 VAL 93 -1.869 11.649 6.644 693 HG21 VAL 93 3HG2 VAL 93 -0.717 8.522 8.001 694 HG22 VAL 93 1HG2 VAL 93 -0.899 7.522 6.559 695 HG23 VAL 93 2HG2 VAL 93 -2.315 7.956 7.517 696 H ASP 94 H ASP 94 -4.675 10.719 4.603 697 HA ASP 94 HA ASP 94 -3.204 12.185 2.463 698 HB2 ASP 94 1HB ASP 94 -6.142 11.805 3.071 699 HB3 ASP 94 2HB ASP 94 -5.559 12.942 1.854 700 H SER 95 H SER 95 -2.315 14.061 3.122 701 HA SER 95 HA SER 95 -3.856 16.214 4.171 702 HB2 SER 95 1HB SER 95 -3.942 15.208 6.303 703 HB3 SER 95 2HB SER 95 -2.302 14.579 6.169 704 HG SER 95 HG SER 95 -3.123 16.891 7.200 Start of MODEL 9 1 H1 MET 1 1H MET 1 11.356 -35.235 -27.463 2 H2 MET 1 2H MET 1 9.740 -35.129 -27.982 3 H3 MET 1 3H MET 1 10.094 -35.509 -26.364 4 HA MET 1 HA MET 1 11.020 -33.328 -26.001 5 HB2 MET 1 1HB MET 1 10.499 -31.674 -27.977 6 HB3 MET 1 2HB MET 1 11.943 -32.679 -28.059 7 HG2 MET 1 1HG MET 1 9.327 -33.631 -29.223 8 HG3 MET 1 2HG MET 1 10.417 -32.602 -30.150 9 HE1 MET 1 3HE MET 1 13.177 -33.205 -29.972 10 HE2 MET 1 1HE MET 1 12.242 -33.331 -31.468 11 HE3 MET 1 2HE MET 1 13.392 -34.593 -31.035 12 H GLY 2 H GLY 2 9.417 -31.176 -26.399 13 HA2 GLY 2 1HA GLY 2 6.632 -31.677 -26.732 14 HA3 GLY 2 2HA GLY 2 7.021 -31.828 -25.020 15 H HIS 3 H HIS 3 5.457 -29.899 -25.050 16 HA HIS 3 HA HIS 3 5.095 -27.596 -24.807 17 HB2 HIS 3 1HB HIS 3 7.052 -27.999 -23.222 18 HB3 HIS 3 2HB HIS 3 8.100 -27.410 -24.512 19 HD1 HIS 3 HD1 HIS 3 7.850 -24.891 -25.209 20 HD2 HIS 3 HD2 HIS 3 5.508 -26.000 -21.942 21 HE1 HIS 3 HE1 HIS 3 7.012 -22.742 -24.165 22 H HIS 4 H HIS 4 5.118 -28.357 -27.424 23 HA HIS 4 HA HIS 4 7.008 -27.063 -29.120 24 HB2 HIS 4 1HB HIS 4 4.092 -27.770 -29.568 25 HB3 HIS 4 2HB HIS 4 5.170 -27.197 -30.842 26 HD1 HIS 4 HD1 HIS 4 7.384 -28.722 -31.229 27 HD2 HIS 4 HD2 HIS 4 4.298 -30.492 -29.056 28 HE1 HIS 4 HE1 HIS 4 7.841 -31.212 -31.236 29 H HIS 5 H HIS 5 3.862 -25.954 -27.870 30 HA HIS 5 HA HIS 5 4.775 -23.161 -28.030 31 HB2 HIS 5 1HB HIS 5 3.839 -23.708 -30.315 32 HB3 HIS 5 2HB HIS 5 2.287 -24.016 -29.536 33 HD1 HIS 5 HD1 HIS 5 1.123 -21.949 -28.344 34 HD2 HIS 5 HD2 HIS 5 4.476 -20.990 -30.628 35 HE1 HIS 5 HE1 HIS 5 1.069 -19.438 -28.677 36 H HIS 6 H HIS 6 3.122 -25.598 -26.536 37 HA HIS 6 HA HIS 6 0.978 -23.963 -25.352 38 HB2 HIS 6 1HB HIS 6 1.912 -26.795 -24.797 39 HB3 HIS 6 2HB HIS 6 0.502 -26.039 -24.054 40 HD1 HIS 6 HD1 HIS 6 -1.353 -25.134 -25.846 41 HD2 HIS 6 HD2 HIS 6 1.379 -27.947 -27.262 42 HE1 HIS 6 HE1 HIS 6 -2.337 -26.074 -27.982 43 H HIS 7 H HIS 7 1.351 -22.677 -23.636 44 HA HIS 7 HA HIS 7 3.839 -23.028 -22.063 45 HB2 HIS 7 1HB HIS 7 3.307 -20.848 -21.112 46 HB3 HIS 7 2HB HIS 7 3.151 -20.763 -22.866 47 HD1 HIS 7 HD1 HIS 7 0.708 -20.709 -23.845 48 HD2 HIS 7 HD2 HIS 7 0.905 -20.463 -19.688 49 HE1 HIS 7 HE1 HIS 7 -1.576 -19.943 -23.065 50 H HIS 8 H HIS 8 0.963 -24.469 -21.962 51 HA HIS 8 HA HIS 8 -0.439 -25.333 -20.280 52 HB2 HIS 8 1HB HIS 8 1.636 -26.667 -20.027 53 HB3 HIS 8 2HB HIS 8 2.247 -25.480 -18.874 54 HD1 HIS 8 HD1 HIS 8 1.550 -25.771 -16.479 55 HD2 HIS 8 HD2 HIS 8 -0.856 -27.968 -19.078 56 HE1 HIS 8 HE1 HIS 8 0.013 -27.164 -15.026 57 H SER 9 H SER 9 1.251 -24.675 -17.488 58 HA SER 9 HA SER 9 0.169 -21.977 -17.036 59 HB2 SER 9 1HB SER 9 -1.381 -22.544 -15.354 60 HB3 SER 9 2HB SER 9 -1.678 -23.753 -16.603 61 HG SER 9 HG SER 9 -0.306 -25.162 -15.434 62 H HIS 10 H HIS 10 1.597 -20.926 -15.760 63 HA HIS 10 HA HIS 10 3.641 -22.512 -14.286 64 HB2 HIS 10 1HB HIS 10 3.442 -19.578 -15.026 65 HB3 HIS 10 2HB HIS 10 4.720 -20.236 -14.002 66 HD1 HIS 10 HD1 HIS 10 3.361 -20.431 -17.522 67 HD2 HIS 10 HD2 HIS 10 6.699 -21.695 -15.369 68 HE1 HIS 10 HE1 HIS 10 5.013 -21.325 -19.221 69 H GLY 11 H GLY 11 0.692 -21.019 -13.739 70 HA2 GLY 11 1HA GLY 11 -0.412 -21.111 -11.587 71 HA3 GLY 11 2HA GLY 11 1.163 -21.029 -10.796 72 H LYS 12 H LYS 12 1.930 -18.844 -12.760 73 HA LYS 12 HA LYS 12 2.164 -16.510 -12.448 74 HB2 LYS 12 1HB LYS 12 -0.804 -16.930 -12.889 75 HB3 LYS 12 2HB LYS 12 -0.033 -15.344 -12.927 76 HG2 LYS 12 1HG LYS 12 1.462 -16.110 -14.733 77 HG3 LYS 12 2HG LYS 12 0.687 -17.695 -14.701 78 HD2 LYS 12 1HD LYS 12 -1.475 -16.654 -15.273 79 HD3 LYS 12 2HD LYS 12 -0.703 -15.069 -15.305 80 HE2 LYS 12 1HE LYS 12 0.778 -15.818 -17.127 81 HE3 LYS 12 2HE LYS 12 0.020 -17.410 -17.093 82 HZ1 LYS 12 3HZ LYS 12 -1.449 -14.879 -17.589 83 HZ2 LYS 12 1HZ LYS 12 -2.058 -16.457 -17.724 84 HZ3 LYS 12 2HZ LYS 12 -0.881 -15.906 -18.818 85 H SER 13 H SER 13 -1.030 -16.266 -11.131 86 HA SER 13 HA SER 13 -1.720 -15.219 -9.130 87 HB2 SER 13 1HB SER 13 -0.847 -16.563 -7.106 88 HB3 SER 13 2HB SER 13 -1.766 -17.438 -8.326 89 HG SER 13 HG SER 13 0.823 -17.719 -7.557 90 H ASP 14 H ASP 14 0.326 -13.742 -10.262 91 HA ASP 14 HA ASP 14 2.420 -13.246 -8.272 92 HB2 ASP 14 1HB ASP 14 1.655 -11.826 -10.841 93 HB3 ASP 14 2HB ASP 14 3.029 -11.369 -9.835 94 H PHE 15 H PHE 15 -0.681 -12.707 -7.983 95 HA PHE 15 HA PHE 15 -0.432 -9.904 -6.938 96 HB2 PHE 15 1HB PHE 15 -3.115 -11.191 -7.350 97 HB3 PHE 15 2HB PHE 15 -2.636 -9.506 -7.547 98 HD1 PHE 15 HD1 PHE 15 -1.074 -8.927 -9.531 99 HD2 PHE 15 HD2 PHE 15 -3.244 -12.621 -9.209 100 HE1 PHE 15 HE1 PHE 15 -0.805 -9.301 -11.969 101 HE2 PHE 15 HE2 PHE 15 -2.975 -12.997 -11.641 102 HZ PHE 15 HZ PHE 15 -1.753 -11.334 -13.026 103 H ILE 16 H ILE 16 -1.459 -9.485 -4.888 104 HA ILE 16 HA ILE 16 -1.892 -11.915 -3.183 105 HB ILE 16 HB ILE 16 -0.798 -10.668 -1.333 106 HG12 ILE 16 1HG1 ILE 16 -0.020 -8.694 -3.504 107 HG13 ILE 16 2HG1 ILE 16 -1.244 -8.381 -2.275 108 HG21 ILE 16 1HG2 ILE 16 1.476 -10.995 -2.105 109 HG22 ILE 16 2HG2 ILE 16 0.971 -10.849 -3.789 110 HG23 ILE 16 3HG2 ILE 16 0.464 -12.242 -2.833 111 HD11 ILE 16 3HD1 ILE 16 0.462 -8.754 -0.509 112 HD12 ILE 16 1HD1 ILE 16 0.896 -7.419 -1.577 113 HD13 ILE 16 2HD1 ILE 16 1.681 -8.989 -1.762 114 H LYS 17 H LYS 17 -3.396 -11.619 -1.453 115 HA LYS 17 HA LYS 17 -5.428 -9.522 -2.022 116 HB2 LYS 17 1HB LYS 17 -5.480 -12.022 -0.305 117 HB3 LYS 17 2HB LYS 17 -6.820 -10.882 -0.420 118 HG2 LYS 17 1HG LYS 17 -6.946 -11.256 -2.851 119 HG3 LYS 17 2HG LYS 17 -5.590 -12.380 -2.752 120 HD2 LYS 17 1HD LYS 17 -6.895 -13.838 -1.254 121 HD3 LYS 17 2HD LYS 17 -8.251 -12.713 -1.340 122 HE2 LYS 17 1HE LYS 17 -8.408 -13.066 -3.769 123 HE3 LYS 17 2HE LYS 17 -7.035 -14.171 -3.706 124 HZ1 LYS 17 3HZ LYS 17 -9.689 -14.527 -2.433 125 HZ2 LYS 17 1HZ LYS 17 -8.355 -15.523 -2.111 126 HZ3 LYS 17 2HZ LYS 17 -9.009 -15.462 -3.677 127 H VAL 18 H VAL 18 -5.197 -7.678 -0.899 128 HA VAL 18 HA VAL 18 -4.555 -7.828 2.011 129 HB VAL 18 HB VAL 18 -3.088 -5.823 1.744 130 HG11 VAL 18 1HG1 VAL 18 -1.173 -7.063 0.792 131 HG12 VAL 18 2HG1 VAL 18 -2.283 -8.255 0.116 132 HG13 VAL 18 3HG1 VAL 18 -2.123 -8.091 1.864 133 HG21 VAL 18 3HG2 VAL 18 -2.300 -5.244 -0.515 134 HG22 VAL 18 1HG2 VAL 18 -4.048 -5.044 -0.407 135 HG23 VAL 18 2HG2 VAL 18 -3.371 -6.460 -1.211 136 H ASN 19 H ASN 19 -5.118 -5.747 3.113 137 HA ASN 19 HA ASN 19 -7.660 -4.675 1.986 138 HB2 ASN 19 1HB ASN 19 -6.454 -4.620 4.771 139 HB3 ASN 19 2HB ASN 19 -7.951 -3.795 4.338 140 HD21 ASN 19 2HD2 ASN 19 -8.786 -5.976 2.443 141 HD22 ASN 19 1HD2 ASN 19 -9.271 -7.272 3.426 142 H VAL 20 H VAL 20 -7.924 -2.503 1.560 143 HA VAL 20 HA VAL 20 -5.571 -0.692 2.017 144 HB VAL 20 HB VAL 20 -7.314 -0.981 -0.445 145 HG11 VAL 20 1HG1 VAL 20 -5.832 0.936 -1.294 146 HG12 VAL 20 2HG1 VAL 20 -5.429 1.231 0.398 147 HG13 VAL 20 3HG1 VAL 20 -7.100 1.376 -0.150 148 HG21 VAL 20 3HG2 VAL 20 -4.307 -1.108 -0.039 149 HG22 VAL 20 1HG2 VAL 20 -5.160 -1.363 -1.561 150 HG23 VAL 20 2HG2 VAL 20 -5.361 -2.509 -0.236 151 H SER 21 H SER 21 -6.081 1.271 2.895 152 HA SER 21 HA SER 21 -8.946 2.123 2.956 153 HB2 SER 21 1HB SER 21 -8.769 2.700 5.312 154 HB3 SER 21 2HB SER 21 -8.360 1.000 5.111 155 HG SER 21 HG SER 21 -6.710 1.728 6.279 156 H ASN 22 H ASN 22 -9.228 4.414 3.233 157 HA ASN 22 HA ASN 22 -6.764 6.064 2.806 158 HB2 ASN 22 1HB ASN 22 -9.383 6.352 1.297 159 HB3 ASN 22 2HB ASN 22 -7.952 7.364 1.103 160 HD21 ASN 22 2HD2 ASN 22 -9.458 5.135 -0.624 161 HD22 ASN 22 1HD2 ASN 22 -8.160 4.231 -1.238 162 H SER 23 H SER 23 -6.715 7.848 4.066 163 HA SER 23 HA SER 23 -8.855 8.284 5.995 164 HB2 SER 23 1HB SER 23 -6.521 8.587 6.660 165 HB3 SER 23 2HB SER 23 -6.313 9.845 5.445 166 HG SER 23 HG SER 23 -6.879 10.401 7.772 167 H HIS 24 H HIS 24 -10.007 10.297 6.259 168 HA HIS 24 HA HIS 24 -11.226 12.156 5.517 169 HB2 HIS 24 1HB HIS 24 -9.401 12.416 3.127 170 HB3 HIS 24 2HB HIS 24 -10.203 13.679 4.058 171 HD1 HIS 24 HD1 HIS 24 -6.995 12.113 3.664 172 HD2 HIS 24 HD2 HIS 24 -9.077 13.736 6.890 173 HE1 HIS 24 HE1 HIS 24 -5.273 12.590 5.460 174 H ASN 25 H ASN 25 -10.234 9.852 3.004 175 HA ASN 25 HA ASN 25 -12.695 10.404 1.454 176 HB2 ASN 25 1HB ASN 25 -10.331 8.555 1.015 177 HB3 ASN 25 2HB ASN 25 -11.728 8.612 -0.060 178 HD21 ASN 25 2HD2 ASN 25 -9.088 9.355 -0.942 179 HD22 ASN 25 1HD2 ASN 25 -9.101 11.016 -1.293 180 H ASP 26 H ASP 26 -11.771 8.499 4.054 181 HA ASP 26 HA ASP 26 -12.623 6.515 5.009 182 HB2 ASP 26 1HB ASP 26 -15.073 7.910 3.901 183 HB3 ASP 26 2HB ASP 26 -15.164 6.496 4.953 184 H ALA 27 H ALA 27 -11.916 6.499 2.027 185 HA ALA 27 HA ALA 27 -13.753 4.495 0.913 186 HB1 ALA 27 3HB ALA 27 -11.957 4.491 -0.943 187 HB2 ALA 27 1HB ALA 27 -11.227 5.834 -0.065 188 HB3 ALA 27 2HB ALA 27 -12.864 5.984 -0.705 189 H VAL 28 H VAL 28 -13.536 2.361 1.296 190 HA VAL 28 HA VAL 28 -10.827 1.267 1.965 191 HB VAL 28 HB VAL 28 -13.487 0.651 3.280 192 HG11 VAL 28 1HG1 VAL 28 -12.452 -1.480 3.017 193 HG12 VAL 28 2HG1 VAL 28 -12.023 -0.964 4.647 194 HG13 VAL 28 3HG1 VAL 28 -10.846 -0.825 3.341 195 HG21 VAL 28 3HG2 VAL 28 -10.826 1.700 4.297 196 HG22 VAL 28 1HG2 VAL 28 -12.180 1.250 5.334 197 HG23 VAL 28 2HG2 VAL 28 -12.344 2.594 4.205 198 H ALA 29 H ALA 29 -10.243 -0.439 0.749 199 HA ALA 29 HA ALA 29 -12.316 -1.732 -0.994 200 HB1 ALA 29 3HB ALA 29 -9.318 -1.650 -1.444 201 HB2 ALA 29 1HB ALA 29 -10.427 -0.460 -2.122 202 HB3 ALA 29 2HB ALA 29 -10.559 -2.155 -2.589 203 H PHE 30 H PHE 30 -12.502 -3.959 -0.911 204 HA PHE 30 HA PHE 30 -10.922 -5.346 1.219 205 HB2 PHE 30 1HB PHE 30 -13.572 -6.022 -0.092 206 HB3 PHE 30 2HB PHE 30 -12.774 -7.020 1.125 207 HD1 PHE 30 HD1 PHE 30 -12.324 -6.065 3.412 208 HD2 PHE 30 HD2 PHE 30 -14.799 -4.072 0.523 209 HE1 PHE 30 HE1 PHE 30 -13.287 -4.655 5.209 210 HE2 PHE 30 HE2 PHE 30 -15.763 -2.661 2.320 211 HZ PHE 30 HZ PHE 30 -15.005 -2.952 4.664 212 H GLU 31 H GLU 31 -9.884 -7.289 0.798 213 HA GLU 31 HA GLU 31 -8.455 -8.589 -0.577 214 HB2 GLU 31 1HB GLU 31 -11.260 -9.149 -1.562 215 HB3 GLU 31 2HB GLU 31 -9.860 -10.140 -1.981 216 HG2 GLU 31 1HG GLU 31 -9.444 -10.611 0.384 217 HG3 GLU 31 2HG GLU 31 -10.773 -9.552 0.850 218 H VAL 32 H VAL 32 -7.828 -6.312 -1.595 219 HA VAL 32 HA VAL 32 -8.679 -6.100 -4.428 220 HB VAL 32 HB VAL 32 -8.388 -4.060 -2.981 221 HG11 VAL 32 1HG1 VAL 32 -5.423 -4.546 -3.272 222 HG12 VAL 32 2HG1 VAL 32 -6.311 -5.078 -1.846 223 HG13 VAL 32 3HG1 VAL 32 -6.243 -3.365 -2.255 224 HG21 VAL 32 3HG2 VAL 32 -6.616 -4.349 -5.429 225 HG22 VAL 32 1HG2 VAL 32 -7.030 -2.803 -4.689 226 HG23 VAL 32 2HG2 VAL 32 -8.294 -3.809 -5.396 227 H LYS 33 H LYS 33 -7.523 -7.034 -6.039 228 HA LYS 33 HA LYS 33 -5.051 -8.463 -5.380 229 HB2 LYS 33 1HB LYS 33 -6.695 -8.198 -7.905 230 HB3 LYS 33 2HB LYS 33 -5.161 -9.068 -7.863 231 HG2 LYS 33 1HG LYS 33 -6.027 -10.537 -6.089 232 HG3 LYS 33 2HG LYS 33 -7.557 -9.658 -6.101 233 HD2 LYS 33 1HD LYS 33 -7.978 -10.329 -8.403 234 HD3 LYS 33 2HD LYS 33 -6.399 -11.112 -8.495 235 HE2 LYS 33 1HE LYS 33 -7.057 -12.666 -6.705 236 HE3 LYS 33 2HE LYS 33 -8.637 -11.889 -6.603 237 HZ1 LYS 33 3HZ LYS 33 -9.150 -12.574 -8.800 238 HZ2 LYS 33 1HZ LYS 33 -8.571 -13.941 -7.981 239 HZ3 LYS 33 2HZ LYS 33 -7.567 -13.121 -9.078 240 H LEU 34 H LEU 34 -3.114 -7.534 -5.470 241 HA LEU 34 HA LEU 34 -2.565 -5.460 -7.553 242 HB2 LEU 34 1HB LEU 34 -1.783 -5.330 -4.621 243 HB3 LEU 34 2HB LEU 34 -1.210 -4.221 -5.864 244 HG LEU 34 HG LEU 34 -4.140 -4.660 -5.221 245 HD11 LEU 34 1HD1 LEU 34 -2.245 -2.475 -4.314 246 HD12 LEU 34 2HD1 LEU 34 -3.012 -3.682 -3.283 247 HD13 LEU 34 3HD1 LEU 34 -3.992 -2.451 -4.081 248 HD21 LEU 34 3HD2 LEU 34 -4.077 -3.743 -7.383 249 HD22 LEU 34 1HD2 LEU 34 -2.606 -2.825 -7.063 250 HD23 LEU 34 2HD2 LEU 34 -4.146 -2.291 -6.394 251 H ALA 35 H ALA 35 -0.702 -5.870 -8.639 252 HA ALA 35 HA ALA 35 0.725 -8.313 -8.152 253 HB1 ALA 35 3HB ALA 35 1.144 -5.963 -9.982 254 HB2 ALA 35 1HB ALA 35 0.746 -7.627 -10.394 255 HB3 ALA 35 2HB ALA 35 2.372 -7.221 -9.855 256 H LYS 36 H LYS 36 2.441 -8.693 -6.892 257 HA LYS 36 HA LYS 36 3.428 -6.630 -5.106 258 HB2 LYS 36 1HB LYS 36 5.029 -8.461 -4.375 259 HB3 LYS 36 2HB LYS 36 3.318 -8.859 -4.222 260 HG2 LYS 36 1HG LYS 36 3.411 -10.061 -6.381 261 HG3 LYS 36 2HG LYS 36 5.123 -9.663 -6.524 262 HD2 LYS 36 1HD LYS 36 5.601 -10.912 -4.468 263 HD3 LYS 36 2HD LYS 36 3.885 -11.280 -4.278 264 HE2 LYS 36 1HE LYS 36 3.889 -12.479 -6.420 265 HE3 LYS 36 2HE LYS 36 5.597 -12.098 -6.643 266 HZ1 LYS 36 3HZ LYS 36 6.192 -13.430 -4.829 267 HZ2 LYS 36 1HZ LYS 36 5.054 -14.351 -5.684 268 HZ3 LYS 36 2HZ LYS 36 4.594 -13.541 -4.263 269 H ASP 37 H ASP 37 4.278 -7.661 -8.245 270 HA ASP 37 HA ASP 37 7.114 -6.969 -8.060 271 HB2 ASP 37 1HB ASP 37 7.053 -7.208 -10.543 272 HB3 ASP 37 2HB ASP 37 6.391 -8.617 -9.715 273 H LEU 38 H LEU 38 4.344 -5.148 -8.037 274 HA LEU 38 HA LEU 38 5.261 -2.991 -9.791 275 HB2 LEU 38 1HB LEU 38 2.994 -3.178 -7.779 276 HB3 LEU 38 2HB LEU 38 3.313 -1.744 -8.750 277 HG LEU 38 HG LEU 38 2.900 -4.479 -9.978 278 HD11 LEU 38 1HD1 LEU 38 0.880 -3.916 -8.713 279 HD12 LEU 38 2HD1 LEU 38 0.562 -3.723 -10.437 280 HD13 LEU 38 3HD1 LEU 38 0.852 -2.303 -9.430 281 HD21 LEU 38 3HD2 LEU 38 2.139 -2.871 -11.909 282 HD22 LEU 38 1HD2 LEU 38 3.860 -3.075 -11.612 283 HD23 LEU 38 2HD2 LEU 38 3.027 -1.642 -11.014 284 H THR 39 H THR 39 5.878 -0.889 -9.035 285 HA THR 39 HA THR 39 7.623 -0.904 -6.686 286 HB THR 39 HB THR 39 7.824 1.601 -7.361 287 HG1 THR 39 HG1 THR 39 6.279 0.530 -9.483 288 HG21 THR 39 3HG2 THR 39 9.623 0.221 -8.030 289 HG22 THR 39 1HG2 THR 39 9.081 0.991 -9.520 290 HG23 THR 39 2HG2 THR 39 8.630 -0.680 -9.176 291 H VAL 40 H VAL 40 7.520 1.100 -5.280 292 HA VAL 40 HA VAL 40 4.933 1.329 -3.944 293 HB VAL 40 HB VAL 40 7.498 2.957 -3.828 294 HG11 VAL 40 1HG1 VAL 40 6.614 4.164 -1.978 295 HG12 VAL 40 2HG1 VAL 40 5.237 3.076 -1.827 296 HG13 VAL 40 3HG1 VAL 40 5.337 4.196 -3.177 297 HG21 VAL 40 3HG2 VAL 40 7.979 1.785 -1.802 298 HG22 VAL 40 1HG2 VAL 40 7.497 0.560 -2.977 299 HG23 VAL 40 2HG2 VAL 40 6.356 1.096 -1.744 300 H ALA 41 H ALA 41 7.032 3.031 -6.098 301 HA ALA 41 HA ALA 41 5.694 5.419 -6.641 302 HB1 ALA 41 3HB ALA 41 7.034 5.495 -8.600 303 HB2 ALA 41 1HB ALA 41 7.000 3.745 -8.787 304 HB3 ALA 41 2HB ALA 41 7.958 4.471 -7.497 305 H GLN 42 H GLN 42 5.318 2.263 -8.330 306 HA GLN 42 HA GLN 42 3.131 3.161 -9.987 307 HB2 GLN 42 1HB GLN 42 4.361 0.534 -9.219 308 HB3 GLN 42 2HB GLN 42 2.749 0.491 -9.935 309 HG2 GLN 42 1HG GLN 42 4.605 0.281 -11.610 310 HG3 GLN 42 2HG GLN 42 3.538 1.651 -11.916 311 HE21 GLN 42 2HE2 GLN 42 6.801 0.772 -11.580 312 HE22 GLN 42 1HE2 GLN 42 7.451 2.321 -11.336 313 H LEU 43 H LEU 43 3.331 1.570 -6.818 314 HA LEU 43 HA LEU 43 0.550 1.036 -6.509 315 HB2 LEU 43 1HB LEU 43 2.335 0.109 -5.017 316 HB3 LEU 43 2HB LEU 43 2.544 1.715 -4.322 317 HG LEU 43 HG LEU 43 0.127 1.693 -3.654 318 HD11 LEU 43 1HD1 LEU 43 0.277 -0.996 -4.983 319 HD12 LEU 43 2HD1 LEU 43 -1.013 0.206 -5.029 320 HD13 LEU 43 3HD1 LEU 43 -0.796 -0.793 -3.598 321 HD21 LEU 43 3HD2 LEU 43 0.471 0.413 -1.699 322 HD22 LEU 43 1HD2 LEU 43 2.105 0.845 -2.199 323 HD23 LEU 43 2HD2 LEU 43 1.474 -0.765 -2.540 324 H LYS 44 H LYS 44 2.491 3.881 -5.583 325 HA LYS 44 HA LYS 44 0.344 5.337 -4.385 326 HB2 LYS 44 1HB LYS 44 2.918 6.234 -5.698 327 HB3 LYS 44 2HB LYS 44 1.780 7.369 -4.976 328 HG2 LYS 44 1HG LYS 44 1.952 6.191 -2.820 329 HG3 LYS 44 2HG LYS 44 3.082 5.041 -3.536 330 HD2 LYS 44 1HD LYS 44 4.698 6.803 -3.958 331 HD3 LYS 44 2HD LYS 44 3.554 8.035 -3.423 332 HE2 LYS 44 1HE LYS 44 3.550 7.054 -1.160 333 HE3 LYS 44 2HE LYS 44 4.693 5.822 -1.685 334 HZ1 LYS 44 3HZ LYS 44 5.117 8.728 -1.406 335 HZ2 LYS 44 1HZ LYS 44 6.126 7.790 -2.396 336 HZ3 LYS 44 2HZ LYS 44 6.018 7.454 -0.733 337 H THR 45 H THR 45 1.523 5.185 -7.734 338 HA THR 45 HA THR 45 -0.186 7.217 -8.794 339 HB THR 45 HB THR 45 0.690 4.700 -10.247 340 HG1 THR 45 HG1 THR 45 2.509 5.570 -9.333 341 HG21 THR 45 3HG2 THR 45 0.263 7.538 -11.221 342 HG22 THR 45 1HG2 THR 45 -0.932 6.248 -11.366 343 HG23 THR 45 2HG2 THR 45 0.611 6.119 -12.210 344 H LYS 46 H LYS 46 -0.636 3.688 -8.501 345 HA LYS 46 HA LYS 46 -3.261 3.615 -9.639 346 HB2 LYS 46 1HB LYS 46 -1.790 1.629 -9.275 347 HB3 LYS 46 2HB LYS 46 -2.068 1.772 -7.541 348 HG2 LYS 46 1HG LYS 46 -4.496 1.505 -7.911 349 HG3 LYS 46 2HG LYS 46 -4.213 1.335 -9.641 350 HD2 LYS 46 1HD LYS 46 -2.867 -0.475 -7.628 351 HD3 LYS 46 2HD LYS 46 -4.466 -0.841 -8.272 352 HE2 LYS 46 1HE LYS 46 -3.447 -0.634 -10.601 353 HE3 LYS 46 2HE LYS 46 -1.869 -0.585 -9.817 354 HZ1 LYS 46 3HZ LYS 46 -1.912 -2.768 -9.673 355 HZ2 LYS 46 1HZ LYS 46 -3.439 -2.819 -10.407 356 HZ3 LYS 46 2HZ LYS 46 -3.315 -2.698 -8.717 357 H LEU 47 H LEU 47 -2.138 3.836 -6.260 358 HA LEU 47 HA LEU 47 -4.767 3.974 -5.113 359 HB2 LEU 47 1HB LEU 47 -2.103 5.018 -4.098 360 HB3 LEU 47 2HB LEU 47 -3.583 4.998 -3.142 361 HG LEU 47 HG LEU 47 -2.330 2.542 -4.402 362 HD11 LEU 47 1HD1 LEU 47 -1.603 1.984 -2.117 363 HD12 LEU 47 2HD1 LEU 47 -2.272 3.502 -1.528 364 HD13 LEU 47 3HD1 LEU 47 -0.902 3.519 -2.633 365 HD21 LEU 47 3HD2 LEU 47 -4.558 1.934 -4.073 366 HD22 LEU 47 1HD2 LEU 47 -4.783 3.052 -2.728 367 HD23 LEU 47 2HD2 LEU 47 -3.904 1.543 -2.488 368 H GLU 48 H GLU 48 -2.566 6.397 -6.433 369 HA GLU 48 HA GLU 48 -3.932 8.726 -5.538 370 HB2 GLU 48 1HB GLU 48 -1.702 8.726 -6.684 371 HB3 GLU 48 2HB GLU 48 -2.526 8.364 -8.202 372 HG2 GLU 48 1HG GLU 48 -3.827 10.439 -8.018 373 HG3 GLU 48 2HG GLU 48 -3.059 10.796 -6.469 374 H ILE 49 H ILE 49 -4.487 6.624 -8.351 375 HA ILE 49 HA ILE 49 -6.601 8.228 -9.479 376 HB ILE 49 HB ILE 49 -6.108 5.224 -9.606 377 HG12 ILE 49 1HG1 ILE 49 -5.575 7.361 -11.688 378 HG13 ILE 49 2HG1 ILE 49 -4.349 6.802 -10.550 379 HG21 ILE 49 1HG2 ILE 49 -7.956 7.025 -11.210 380 HG22 ILE 49 2HG2 ILE 49 -8.439 5.697 -10.153 381 HG23 ILE 49 3HG2 ILE 49 -7.566 5.361 -11.647 382 HD11 ILE 49 3HD1 ILE 49 -4.125 5.545 -12.622 383 HD12 ILE 49 1HD1 ILE 49 -5.832 5.104 -12.577 384 HD13 ILE 49 2HD1 ILE 49 -4.722 4.466 -11.362 385 H LEU 50 H LEU 50 -6.490 5.549 -7.173 386 HA LEU 50 HA LEU 50 -9.302 5.316 -6.689 387 HB2 LEU 50 1HB LEU 50 -7.578 3.616 -6.060 388 HB3 LEU 50 2HB LEU 50 -6.993 4.712 -4.814 389 HG LEU 50 HG LEU 50 -9.265 4.684 -3.771 390 HD11 LEU 50 1HD1 LEU 50 -9.786 2.877 -6.124 391 HD12 LEU 50 2HD1 LEU 50 -10.823 4.111 -5.412 392 HD13 LEU 50 3HD1 LEU 50 -10.628 2.558 -4.608 393 HD21 LEU 50 3HD2 LEU 50 -9.086 2.245 -3.020 394 HD22 LEU 50 1HD2 LEU 50 -7.621 3.212 -2.839 395 HD23 LEU 50 2HD2 LEU 50 -7.774 2.083 -4.186 396 H THR 51 H THR 51 -6.764 7.223 -5.068 397 HA THR 51 HA THR 51 -8.766 8.414 -3.235 398 HB THR 51 HB THR 51 -6.791 9.513 -2.211 399 HG1 THR 51 HG1 THR 51 -5.704 9.348 -4.436 400 HG21 THR 51 3HG2 THR 51 -6.616 6.535 -2.718 401 HG22 THR 51 1HG2 THR 51 -7.353 7.349 -1.338 402 HG23 THR 51 2HG2 THR 51 -5.602 7.372 -1.542 403 H GLY 52 H GLY 52 -7.417 9.044 -6.273 404 HA2 GLY 52 1HA GLY 52 -7.434 10.935 -7.662 405 HA3 GLY 52 2HA GLY 52 -8.872 11.404 -6.750 406 H GLY 53 H GLY 53 -6.032 10.981 -4.871 407 HA2 GLY 53 1HA GLY 53 -5.900 13.918 -4.427 408 HA3 GLY 53 2HA GLY 53 -5.199 12.683 -3.384 409 H CYS 54 H CYS 54 -3.117 13.598 -3.386 410 HA CYS 54 HA CYS 54 -1.668 13.612 -6.019 411 HB2 CYS 54 1HB CYS 54 -1.886 15.772 -4.600 412 HB3 CYS 54 2HB CYS 54 -0.717 15.012 -3.522 413 HG CYS 54 HG CYS 54 0.860 16.088 -5.165 414 H ALA 55 H ALA 55 -0.192 12.045 -6.270 415 HA ALA 55 HA ALA 55 0.399 10.111 -4.239 416 HB1 ALA 55 3HB ALA 55 1.668 10.753 -6.906 417 HB2 ALA 55 1HB ALA 55 0.629 9.388 -6.491 418 HB3 ALA 55 2HB ALA 55 2.279 9.464 -5.871 419 H GLY 56 H GLY 56 2.078 13.031 -5.308 420 HA2 GLY 56 1HA GLY 56 4.565 12.590 -4.016 421 HA3 GLY 56 2HA GLY 56 3.892 14.179 -4.367 422 H THR 57 H THR 57 1.521 13.918 -2.746 423 HA THR 57 HA THR 57 2.782 14.262 -0.062 424 HB THR 57 HB THR 57 0.775 15.469 0.534 425 HG1 THR 57 HG1 THR 57 -0.203 14.062 -1.593 426 HG21 THR 57 3HG2 THR 57 1.479 16.251 -2.303 427 HG22 THR 57 1HG2 THR 57 2.517 16.592 -0.918 428 HG23 THR 57 2HG2 THR 57 0.907 17.304 -1.011 429 H MET 58 H MET 58 1.412 11.799 -1.727 430 HA MET 58 HA MET 58 -0.412 10.762 0.307 431 HB2 MET 58 1HB MET 58 -0.628 10.251 -2.141 432 HB3 MET 58 2HB MET 58 0.862 9.314 -2.035 433 HG2 MET 58 1HG MET 58 -0.226 7.910 -0.251 434 HG3 MET 58 2HG MET 58 -1.726 8.781 -0.558 435 HE1 MET 58 3HE MET 58 -3.354 8.255 -2.127 436 HE2 MET 58 1HE MET 58 -3.124 7.537 -3.724 437 HE3 MET 58 2HE MET 58 -2.433 9.116 -3.358 438 H LYS 59 H LYS 59 0.064 9.274 1.890 439 HA LYS 59 HA LYS 59 2.887 8.244 2.048 440 HB2 LYS 59 1HB LYS 59 1.078 9.209 4.279 441 HB3 LYS 59 2HB LYS 59 2.600 8.355 4.541 442 HG2 LYS 59 1HG LYS 59 3.779 10.128 3.244 443 HG3 LYS 59 2HG LYS 59 2.257 11.004 3.099 444 HD2 LYS 59 1HD LYS 59 3.468 10.227 5.765 445 HD3 LYS 59 2HD LYS 59 3.777 11.777 4.986 446 HE2 LYS 59 1HE LYS 59 1.219 12.052 4.893 447 HE3 LYS 59 2HE LYS 59 1.151 10.703 6.026 448 HZ1 LYS 59 3HZ LYS 59 1.322 12.370 7.508 449 HZ2 LYS 59 1HZ LYS 59 2.107 13.418 6.432 450 HZ3 LYS 59 2HZ LYS 59 2.982 12.184 7.204 451 H VAL 60 H VAL 60 3.085 6.093 2.493 452 HA VAL 60 HA VAL 60 0.557 4.505 2.833 453 HB VAL 60 HB VAL 60 3.177 3.840 1.449 454 HG11 VAL 60 1HG1 VAL 60 2.602 1.824 2.572 455 HG12 VAL 60 2HG1 VAL 60 1.939 1.635 0.949 456 HG13 VAL 60 3HG1 VAL 60 0.877 2.065 2.289 457 HG21 VAL 60 3HG2 VAL 60 1.339 5.175 0.263 458 HG22 VAL 60 1HG2 VAL 60 0.347 3.721 0.382 459 HG23 VAL 60 2HG2 VAL 60 1.853 3.687 -0.534 460 H GLN 61 H GLN 61 0.429 3.279 4.658 461 HA GLN 61 HA GLN 61 2.945 2.756 6.211 462 HB2 GLN 61 1HB GLN 61 0.272 3.740 7.242 463 HB3 GLN 61 2HB GLN 61 1.562 3.130 8.282 464 HG2 GLN 61 1HG GLN 61 3.084 4.864 7.437 465 HG3 GLN 61 2HG GLN 61 1.827 5.458 6.354 466 HE21 GLN 61 2HE2 GLN 61 3.222 6.032 9.346 467 HE22 GLN 61 1HE2 GLN 61 1.938 6.856 10.088 468 H VAL 62 H VAL 62 3.208 0.646 6.545 469 HA VAL 62 HA VAL 62 1.003 -1.234 6.034 470 HB VAL 62 HB VAL 62 3.839 -1.838 6.927 471 HG11 VAL 62 1HG1 VAL 62 1.849 -3.506 5.357 472 HG12 VAL 62 2HG1 VAL 62 2.093 -3.652 7.098 473 HG13 VAL 62 3HG1 VAL 62 3.410 -4.030 5.989 474 HG21 VAL 62 3HG2 VAL 62 3.936 -0.505 4.889 475 HG22 VAL 62 1HG2 VAL 62 2.680 -1.494 4.142 476 HG23 VAL 62 2HG2 VAL 62 4.265 -2.188 4.480 477 H PHE 63 H PHE 63 -0.174 -2.226 7.615 478 HA PHE 63 HA PHE 63 0.806 -2.063 10.444 479 HB2 PHE 63 1HB PHE 63 -1.933 -1.413 9.351 480 HB3 PHE 63 2HB PHE 63 -1.694 -1.863 11.038 481 HD1 PHE 63 HD2 PHE 63 0.064 -0.560 12.393 482 HD2 PHE 63 HD1 PHE 63 -1.547 0.814 8.652 483 HE1 PHE 63 HE2 PHE 63 0.781 1.752 12.931 484 HE2 PHE 63 HE1 PHE 63 -0.832 3.125 9.195 485 HZ PHE 63 HZ PHE 63 0.333 3.595 11.332 486 H LYS 64 H LYS 64 0.397 -3.817 11.725 487 HA LYS 64 HA LYS 64 -1.245 -6.050 10.688 488 HB2 LYS 64 1HB LYS 64 1.031 -6.465 9.793 489 HB3 LYS 64 2HB LYS 64 1.679 -6.390 11.432 490 HG2 LYS 64 1HG LYS 64 0.282 -8.305 12.085 491 HG3 LYS 64 2HG LYS 64 -0.415 -8.360 10.466 492 HD2 LYS 64 1HD LYS 64 1.828 -8.796 9.519 493 HD3 LYS 64 2HD LYS 64 2.514 -8.764 11.144 494 HE2 LYS 64 1HE LYS 64 1.076 -10.655 11.794 495 HE3 LYS 64 2HE LYS 64 0.383 -10.686 10.174 496 HZ1 LYS 64 3HZ LYS 64 2.668 -11.044 9.324 497 HZ2 LYS 64 1HZ LYS 64 2.089 -12.317 10.284 498 HZ3 LYS 64 2HZ LYS 64 3.204 -11.208 10.929 499 H GLY 65 H GLY 65 -2.499 -5.276 12.549 500 HA2 GLY 65 1HA GLY 65 -3.232 -6.059 14.707 501 HA3 GLY 65 2HA GLY 65 -1.574 -6.542 15.075 502 H ASP 66 H ASP 66 -1.096 -5.347 16.877 503 HA ASP 66 HA ASP 66 -1.825 -2.468 16.973 504 HB2 ASP 66 1HB ASP 66 -0.625 -4.348 19.027 505 HB3 ASP 66 2HB ASP 66 -0.943 -2.637 19.319 506 H THR 67 H THR 67 0.616 -4.087 15.582 507 HA THR 67 HA THR 67 2.652 -1.992 16.276 508 HB THR 67 HB THR 67 3.129 -4.915 15.631 509 HG1 THR 67 HG1 THR 67 3.908 -4.898 17.797 510 HG21 THR 67 3HG2 THR 67 4.948 -3.656 14.732 511 HG22 THR 67 1HG2 THR 67 5.503 -4.260 16.293 512 HG23 THR 67 2HG2 THR 67 4.985 -2.582 16.130 513 H CYS 68 H CYS 68 3.574 -0.965 14.563 514 HA CYS 68 HA CYS 68 2.482 -1.422 11.896 515 HB2 CYS 68 1HB CYS 68 3.044 0.854 12.785 516 HB3 CYS 68 2HB CYS 68 4.749 0.405 12.739 517 HG CYS 68 HG CYS 68 4.757 0.571 10.239 518 H VAL 69 H VAL 69 3.325 -2.855 10.461 519 HA VAL 69 HA VAL 69 5.678 -4.388 11.020 520 HB VAL 69 HB VAL 69 4.228 -3.983 8.383 521 HG11 VAL 69 1HG1 VAL 69 6.224 -6.058 9.329 522 HG12 VAL 69 2HG1 VAL 69 6.396 -4.958 7.961 523 HG13 VAL 69 3HG1 VAL 69 5.213 -6.266 7.900 524 HG21 VAL 69 3HG2 VAL 69 2.675 -4.833 9.983 525 HG22 VAL 69 1HG2 VAL 69 3.876 -5.917 10.683 526 HG23 VAL 69 2HG2 VAL 69 3.234 -6.236 9.071 527 H SER 70 H SER 70 5.128 -1.766 8.639 528 HA SER 70 HA SER 70 7.781 -0.703 8.982 529 HB2 SER 70 1HB SER 70 8.645 -1.297 6.709 530 HB3 SER 70 2HB SER 70 8.466 -2.698 7.760 531 HG SER 70 HG SER 70 6.447 -3.080 6.750 532 H THR 71 H THR 71 8.202 1.067 7.380 533 HA THR 71 HA THR 71 5.653 2.170 6.232 534 HB THR 71 HB THR 71 8.028 3.654 7.407 535 HG1 THR 71 HG1 THR 71 6.106 4.377 8.750 536 HG21 THR 71 3HG2 THR 71 6.451 5.634 7.075 537 HG22 THR 71 1HG2 THR 71 5.501 4.582 6.026 538 HG23 THR 71 2HG2 THR 71 7.170 4.971 5.609 539 H MET 72 H MET 72 5.719 2.459 4.058 540 HA MET 72 HA MET 72 8.049 1.743 2.534 541 HB2 MET 72 1HB MET 72 5.467 3.122 1.753 542 HB3 MET 72 2HB MET 72 6.703 2.635 0.591 543 HG2 MET 72 1HG MET 72 6.519 0.303 1.354 544 HG3 MET 72 2HG MET 72 5.297 0.781 2.533 545 HE1 MET 72 3HE MET 72 4.683 -1.393 1.154 546 HE2 MET 72 1HE MET 72 3.380 -1.294 -0.039 547 HE3 MET 72 2HE MET 72 3.127 -0.698 1.600 548 H ASP 73 H ASP 73 9.746 3.114 3.228 549 HA ASP 73 HA ASP 73 9.442 6.043 2.827 550 HB2 ASP 73 1HB ASP 73 10.601 5.149 4.862 551 HB3 ASP 73 2HB ASP 73 11.837 4.456 3.812 552 H ASN 74 H ASN 74 11.025 3.243 1.405 553 HA ASN 74 HA ASN 74 12.571 4.918 -0.480 554 HB2 ASN 74 1HB ASN 74 12.369 1.937 -0.009 555 HB3 ASN 74 2HB ASN 74 13.305 2.636 -1.331 556 HD21 ASN 74 2HD2 ASN 74 13.886 1.349 1.568 557 HD22 ASN 74 1HD2 ASN 74 15.127 2.357 2.137 558 H ASN 75 H ASN 75 11.431 5.725 -2.160 559 HA ASN 75 HA ASN 75 8.999 4.506 -3.119 560 HB2 ASN 75 1HB ASN 75 8.980 6.253 -4.788 561 HB3 ASN 75 2HB ASN 75 9.508 6.960 -3.260 562 HD21 ASN 75 2HD2 ASN 75 10.262 8.351 -5.516 563 HD22 ASN 75 1HD2 ASN 75 11.913 8.126 -5.845 564 H ASP 76 H ASP 76 12.337 4.046 -3.811 565 HA ASP 76 HA ASP 76 11.870 2.877 -6.483 566 HB2 ASP 76 1HB ASP 76 14.326 2.420 -6.396 567 HB3 ASP 76 2HB ASP 76 13.941 4.121 -6.123 568 H ALA 77 H ALA 77 11.367 1.827 -3.401 569 HA ALA 77 HA ALA 77 12.472 -0.872 -3.645 570 HB1 ALA 77 3HB ALA 77 11.062 -1.254 -1.548 571 HB2 ALA 77 1HB ALA 77 10.623 0.452 -1.643 572 HB3 ALA 77 2HB ALA 77 12.309 -0.014 -1.412 573 H GLN 78 H GLN 78 11.163 -2.800 -3.815 574 HA GLN 78 HA GLN 78 8.896 -2.466 -5.635 575 HB2 GLN 78 1HB GLN 78 10.250 -4.908 -4.474 576 HB3 GLN 78 2HB GLN 78 8.877 -4.990 -5.578 577 HG2 GLN 78 1HG GLN 78 10.131 -3.772 -7.286 578 HG3 GLN 78 2HG GLN 78 11.497 -3.589 -6.183 579 HE21 GLN 78 2HE2 GLN 78 10.305 -5.535 -8.664 580 HE22 GLN 78 1HE2 GLN 78 11.216 -6.934 -8.357 581 H LEU 79 H LEU 79 6.789 -3.415 -5.242 582 HA LEU 79 HA LEU 79 5.685 -2.730 -2.702 583 HB2 LEU 79 1HB LEU 79 4.294 -2.772 -4.708 584 HB3 LEU 79 2HB LEU 79 4.581 -4.499 -4.910 585 HG LEU 79 HG LEU 79 3.390 -4.985 -2.833 586 HD11 LEU 79 1HD1 LEU 79 2.141 -2.900 -1.808 587 HD12 LEU 79 2HD1 LEU 79 3.451 -1.984 -2.558 588 HD13 LEU 79 3HD1 LEU 79 3.815 -3.219 -1.354 589 HD21 LEU 79 3HD2 LEU 79 1.731 -2.975 -4.374 590 HD22 LEU 79 1HD2 LEU 79 1.180 -4.445 -3.571 591 HD23 LEU 79 2HD2 LEU 79 2.153 -4.553 -5.038 592 H GLY 80 H GLY 80 6.641 -5.876 -4.076 593 HA2 GLY 80 1HA GLY 80 5.737 -7.401 -1.798 594 HA3 GLY 80 2HA GLY 80 6.871 -7.970 -3.023 595 H TYR 81 H TYR 81 8.206 -5.171 -2.102 596 HA TYR 81 HA TYR 81 10.333 -6.385 -0.623 597 HB2 TYR 81 1HB TYR 81 10.456 -4.194 -1.886 598 HB3 TYR 81 2HB TYR 81 9.547 -3.456 -0.569 599 HD1 TYR 81 HD2 TYR 81 10.519 -3.354 1.726 600 HD2 TYR 81 HD1 TYR 81 12.767 -4.794 -1.636 601 HE1 TYR 81 HE2 TYR 81 12.620 -3.097 3.020 602 HE2 TYR 81 HE1 TYR 81 14.866 -4.542 -0.344 603 HH TYR 81 HH TYR 81 14.818 -3.583 3.067 604 H TYR 82 H TYR 82 7.549 -4.411 0.411 605 HA TYR 82 HA TYR 82 8.088 -5.194 3.257 606 HB2 TYR 82 1HB TYR 82 6.294 -3.024 2.117 607 HB3 TYR 82 2HB TYR 82 6.581 -3.332 3.829 608 HD1 TYR 82 HD1 TYR 82 8.972 -3.171 4.714 609 HD2 TYR 82 HD2 TYR 82 7.791 -1.687 0.860 610 HE1 TYR 82 HE1 TYR 82 11.006 -1.758 4.635 611 HE2 TYR 82 HE2 TYR 82 9.826 -0.273 0.779 612 HH TYR 82 HH TYR 82 12.177 -0.285 3.464 613 H ALA 83 H ALA 83 5.760 -5.365 0.634 614 HA ALA 83 HA ALA 83 3.779 -6.743 2.393 615 HB1 ALA 83 3HB ALA 83 3.041 -4.902 0.831 616 HB2 ALA 83 1HB ALA 83 2.212 -6.438 0.579 617 HB3 ALA 83 2HB ALA 83 3.502 -5.943 -0.517 618 H ASN 84 H ASN 84 5.536 -8.520 2.429 619 HA ASN 84 HA ASN 84 5.525 -10.200 -0.034 620 HB2 ASN 84 1HB ASN 84 7.702 -9.791 1.037 621 HB3 ASN 84 2HB ASN 84 7.091 -10.449 2.556 622 HD21 ASN 84 2HD2 ASN 84 7.688 -11.376 -0.869 623 HD22 ASN 84 1HD2 ASN 84 7.933 -13.022 -0.537 624 H SER 85 H SER 85 3.484 -9.793 2.439 625 HA SER 85 HA SER 85 2.659 -12.658 2.421 626 HB2 SER 85 1HB SER 85 3.983 -12.260 4.497 627 HB3 SER 85 2HB SER 85 2.878 -10.958 4.928 628 HG SER 85 HG SER 85 1.602 -12.430 5.688 629 H ASP 86 H ASP 86 0.411 -12.927 2.573 630 HA ASP 86 HA ASP 86 -1.188 -10.553 1.933 631 HB2 ASP 86 1HB ASP 86 -3.024 -12.183 1.637 632 HB3 ASP 86 2HB ASP 86 -1.580 -12.692 0.762 633 H GLY 87 H GLY 87 -3.375 -10.328 3.099 634 HA2 GLY 87 1HA GLY 87 -4.678 -10.311 5.097 635 HA3 GLY 87 2HA GLY 87 -3.383 -11.179 5.924 636 H LEU 88 H LEU 88 -1.768 -8.840 4.395 637 HA LEU 88 HA LEU 88 -1.470 -7.227 6.801 638 HB2 LEU 88 1HB LEU 88 -0.391 -6.759 4.002 639 HB3 LEU 88 2HB LEU 88 0.164 -5.964 5.474 640 HG LEU 88 HG LEU 88 0.294 -8.951 4.953 641 HD11 LEU 88 1HD1 LEU 88 2.498 -6.865 5.009 642 HD12 LEU 88 2HD1 LEU 88 1.848 -7.609 3.548 643 HD13 LEU 88 3HD1 LEU 88 2.710 -8.594 4.731 644 HD21 LEU 88 3HD2 LEU 88 1.935 -8.667 7.001 645 HD22 LEU 88 1HD2 LEU 88 0.200 -8.754 7.292 646 HD23 LEU 88 2HD2 LEU 88 1.017 -7.191 7.297 647 H ARG 89 H ARG 89 -1.952 -4.947 6.951 648 HA ARG 89 HA ARG 89 -4.190 -4.069 5.139 649 HB2 ARG 89 1HB ARG 89 -4.832 -4.441 7.525 650 HB3 ARG 89 2HB ARG 89 -3.636 -3.235 8.003 651 HG2 ARG 89 1HG ARG 89 -4.793 -1.520 6.689 652 HG3 ARG 89 2HG ARG 89 -5.956 -2.716 6.116 653 HD2 ARG 89 1HD ARG 89 -6.951 -1.478 7.952 654 HD3 ARG 89 2HD ARG 89 -6.627 -3.127 8.489 655 HE ARG 89 HE ARG 89 -4.383 -1.463 9.128 656 HH11 ARG 89 1HH2 ARG 89 -7.670 -2.108 9.933 657 HH12 ARG 89 2HH2 ARG 89 -7.508 -1.601 11.581 658 HH21 ARG 89 1HH1 ARG 89 -4.148 -0.798 11.278 659 HH22 ARG 89 2HH1 ARG 89 -5.512 -0.858 12.343 660 H LEU 90 H LEU 90 -3.817 -2.278 3.972 661 HA LEU 90 HA LEU 90 -1.423 -0.602 4.641 662 HB2 LEU 90 1HB LEU 90 -2.902 -0.865 2.004 663 HB3 LEU 90 2HB LEU 90 -1.421 0.048 2.287 664 HG LEU 90 HG LEU 90 -1.718 -2.951 2.635 665 HD11 LEU 90 1HD1 LEU 90 -1.785 -2.366 0.284 666 HD12 LEU 90 2HD1 LEU 90 -0.182 -3.008 0.644 667 HD13 LEU 90 3HD1 LEU 90 -0.417 -1.268 0.474 668 HD21 LEU 90 3HD2 LEU 90 0.906 -2.643 2.625 669 HD22 LEU 90 1HD2 LEU 90 0.007 -2.355 4.112 670 HD23 LEU 90 2HD2 LEU 90 0.527 -0.994 3.120 671 H HIS 91 H HIS 91 -1.807 1.410 5.348 672 HA HIS 91 HA HIS 91 -4.531 2.601 4.924 673 HB2 HIS 91 1HB HIS 91 -3.981 2.120 7.293 674 HB3 HIS 91 2HB HIS 91 -2.539 3.125 7.150 675 HD1 HIS 91 HD1 HIS 91 -6.283 3.534 6.457 676 HD2 HIS 91 HD2 HIS 91 -3.043 5.720 7.907 677 HE1 HIS 91 HE1 HIS 91 -7.189 5.807 7.113 678 H VAL 92 H VAL 92 -4.527 4.250 3.529 679 HA VAL 92 HA VAL 92 -1.992 5.651 2.897 680 HB VAL 92 HB VAL 92 -4.749 5.831 1.645 681 HG11 VAL 92 1HG1 VAL 92 -3.617 7.886 1.222 682 HG12 VAL 92 2HG1 VAL 92 -3.367 6.905 -0.223 683 HG13 VAL 92 3HG1 VAL 92 -2.076 7.065 0.967 684 HG21 VAL 92 3HG2 VAL 92 -3.860 4.444 -0.107 685 HG22 VAL 92 1HG2 VAL 92 -3.498 3.633 1.415 686 HG23 VAL 92 2HG2 VAL 92 -2.234 4.527 0.570 687 H VAL 93 H VAL 93 -1.577 7.681 3.630 688 HA VAL 93 HA VAL 93 -3.806 9.209 4.955 689 HB VAL 93 HB VAL 93 -0.844 9.262 5.612 690 HG11 VAL 93 1HG1 VAL 93 -1.925 11.389 6.090 691 HG12 VAL 93 2HG1 VAL 93 -1.662 10.539 7.611 692 HG13 VAL 93 3HG1 VAL 93 -3.268 10.568 6.886 693 HG21 VAL 93 3HG2 VAL 93 -3.137 8.097 7.219 694 HG22 VAL 93 1HG2 VAL 93 -1.419 8.017 7.607 695 HG23 VAL 93 2HG2 VAL 93 -2.053 7.129 6.221 696 H ASP 94 H ASP 94 -4.365 10.843 3.628 697 HA ASP 94 HA ASP 94 -2.282 12.115 1.904 698 HB2 ASP 94 1HB ASP 94 -5.308 12.090 1.809 699 HB3 ASP 94 2HB ASP 94 -4.325 13.142 0.789 700 H SER 95 H SER 95 -1.344 13.840 2.879 701 HA SER 95 HA SER 95 -1.110 15.815 4.123 702 HB2 SER 95 1HB SER 95 -3.991 16.216 3.264 703 HB3 SER 95 2HB SER 95 -2.885 17.471 3.811 704 HG SER 95 HG SER 95 -2.678 15.844 1.495 Start of MODEL 10 1 H1 MET 1 1H MET 1 13.703 -29.039 -22.770 2 H2 MET 1 2H MET 1 13.228 -29.451 -24.349 3 H3 MET 1 3H MET 1 12.088 -28.838 -23.247 4 HA MET 1 HA MET 1 13.924 -26.877 -23.238 5 HB2 MET 1 1HB MET 1 13.787 -28.115 -25.999 6 HB3 MET 1 2HB MET 1 14.335 -26.466 -25.699 7 HG2 MET 1 1HG MET 1 16.131 -27.286 -24.263 8 HG3 MET 1 2HG MET 1 15.554 -28.942 -24.449 9 HE1 MET 1 3HE MET 1 17.604 -26.205 -27.436 10 HE2 MET 1 1HE MET 1 16.693 -25.801 -25.975 11 HE3 MET 1 2HE MET 1 15.845 -26.129 -27.483 12 H GLY 2 H GLY 2 12.600 -26.429 -26.232 13 HA2 GLY 2 1HA GLY 2 10.282 -24.971 -25.104 14 HA3 GLY 2 2HA GLY 2 10.904 -24.820 -26.748 15 H HIS 3 H HIS 3 10.559 -28.027 -25.567 16 HA HIS 3 HA HIS 3 8.763 -28.812 -27.638 17 HB2 HIS 3 1HB HIS 3 10.234 -30.388 -26.403 18 HB3 HIS 3 2HB HIS 3 9.249 -30.151 -24.960 19 HD1 HIS 3 HD1 HIS 3 6.985 -31.344 -24.848 20 HD2 HIS 3 HD2 HIS 3 8.905 -31.842 -28.514 21 HE1 HIS 3 HE1 HIS 3 5.686 -33.122 -26.101 22 H HIS 4 H HIS 4 8.179 -27.940 -24.237 23 HA HIS 4 HA HIS 4 5.238 -28.145 -24.710 24 HB2 HIS 4 1HB HIS 4 6.878 -27.868 -22.183 25 HB3 HIS 4 2HB HIS 4 5.115 -27.815 -22.215 26 HD1 HIS 4 HD1 HIS 4 8.017 -30.147 -22.853 27 HD2 HIS 4 HD2 HIS 4 3.860 -30.315 -22.591 28 HE1 HIS 4 HE1 HIS 4 7.398 -32.604 -22.836 29 H HIS 5 H HIS 5 4.319 -26.335 -25.414 30 HA HIS 5 HA HIS 5 3.829 -24.080 -25.729 31 HB2 HIS 5 1HB HIS 5 4.791 -23.964 -22.855 32 HB3 HIS 5 2HB HIS 5 3.908 -22.677 -23.677 33 HD1 HIS 5 HD1 HIS 5 1.515 -23.597 -24.807 34 HD2 HIS 5 HD2 HIS 5 3.092 -25.745 -21.601 35 HE1 HIS 5 HE1 HIS 5 -0.386 -24.983 -23.867 36 H HIS 6 H HIS 6 5.150 -23.179 -27.208 37 HA HIS 6 HA HIS 6 7.992 -22.777 -26.802 38 HB2 HIS 6 1HB HIS 6 6.034 -21.725 -28.863 39 HB3 HIS 6 2HB HIS 6 7.764 -21.389 -28.917 40 HD1 HIS 6 HD1 HIS 6 9.317 -23.665 -28.876 41 HD2 HIS 6 HD2 HIS 6 5.354 -24.111 -30.093 42 HE1 HIS 6 HE1 HIS 6 9.188 -25.880 -30.097 43 H HIS 7 H HIS 7 5.149 -21.021 -25.957 44 HA HIS 7 HA HIS 7 6.820 -18.889 -24.775 45 HB2 HIS 7 1HB HIS 7 4.613 -18.279 -26.765 46 HB3 HIS 7 2HB HIS 7 5.471 -17.083 -25.793 47 HD1 HIS 7 HD1 HIS 7 8.251 -17.306 -26.105 48 HD2 HIS 7 HD2 HIS 7 5.822 -18.646 -29.215 49 HE1 HIS 7 HE1 HIS 7 9.714 -17.390 -28.171 50 H HIS 8 H HIS 8 5.493 -17.472 -23.325 51 HA HIS 8 HA HIS 8 2.872 -18.623 -22.520 52 HB2 HIS 8 1HB HIS 8 3.585 -18.653 -20.131 53 HB3 HIS 8 2HB HIS 8 4.486 -19.804 -21.115 54 HD1 HIS 8 HD1 HIS 8 6.923 -18.931 -21.947 55 HD2 HIS 8 HD2 HIS 8 5.189 -16.815 -18.801 56 HE1 HIS 8 HE1 HIS 8 8.788 -17.606 -20.859 57 H SER 9 H SER 9 1.467 -17.001 -22.159 58 HA SER 9 HA SER 9 2.167 -14.240 -22.371 59 HB2 SER 9 1HB SER 9 -0.290 -15.548 -21.175 60 HB3 SER 9 2HB SER 9 -0.160 -13.836 -21.564 61 HG SER 9 HG SER 9 0.420 -15.804 -23.495 62 H HIS 10 H HIS 10 1.503 -16.283 -19.525 63 HA HIS 10 HA HIS 10 3.026 -14.345 -17.868 64 HB2 HIS 10 1HB HIS 10 0.189 -15.222 -17.252 65 HB3 HIS 10 2HB HIS 10 1.245 -14.379 -16.118 66 HD1 HIS 10 HD1 HIS 10 -0.615 -13.880 -19.357 67 HD2 HIS 10 HD2 HIS 10 1.600 -11.624 -16.641 68 HE1 HIS 10 HE1 HIS 10 -0.948 -11.454 -20.004 69 H GLY 11 H GLY 11 4.021 -15.300 -16.106 70 HA2 GLY 11 1HA GLY 11 4.199 -18.236 -16.188 71 HA3 GLY 11 2HA GLY 11 5.212 -17.157 -15.231 72 H LYS 12 H LYS 12 4.952 -17.674 -13.139 73 HA LYS 12 HA LYS 12 2.507 -18.850 -12.107 74 HB2 LYS 12 1HB LYS 12 4.887 -17.732 -10.595 75 HB3 LYS 12 2HB LYS 12 3.668 -18.835 -9.957 76 HG2 LYS 12 1HG LYS 12 5.368 -19.546 -12.357 77 HG3 LYS 12 2HG LYS 12 5.890 -19.890 -10.711 78 HD2 LYS 12 1HD LYS 12 3.789 -21.186 -10.352 79 HD3 LYS 12 2HD LYS 12 3.352 -20.904 -12.034 80 HE2 LYS 12 1HE LYS 12 5.406 -22.034 -12.775 81 HE3 LYS 12 2HE LYS 12 5.845 -22.333 -11.092 82 HZ1 LYS 12 3HZ LYS 12 3.627 -23.479 -12.657 83 HZ2 LYS 12 1HZ LYS 12 3.528 -23.407 -10.965 84 HZ3 LYS 12 2HZ LYS 12 4.787 -24.275 -11.705 85 H SER 13 H SER 13 0.972 -17.937 -10.791 86 HA SER 13 HA SER 13 0.452 -15.126 -11.153 87 HB2 SER 13 1HB SER 13 -1.383 -16.700 -10.947 88 HB3 SER 13 2HB SER 13 -0.820 -17.211 -9.359 89 HG SER 13 HG SER 13 -1.608 -14.569 -10.049 90 H ASP 14 H ASP 14 1.758 -13.674 -10.146 91 HA ASP 14 HA ASP 14 2.567 -14.158 -7.306 92 HB2 ASP 14 1HB ASP 14 3.629 -12.339 -9.478 93 HB3 ASP 14 2HB ASP 14 4.120 -12.184 -7.790 94 H PHE 15 H PHE 15 0.158 -13.615 -6.922 95 HA PHE 15 HA PHE 15 -0.096 -10.653 -6.499 96 HB2 PHE 15 1HB PHE 15 -2.194 -12.609 -7.470 97 HB3 PHE 15 2HB PHE 15 -2.582 -11.012 -6.833 98 HD1 PHE 15 HD1 PHE 15 -0.883 -12.843 -9.555 99 HD2 PHE 15 HD2 PHE 15 -2.095 -9.005 -8.063 100 HE1 PHE 15 HE1 PHE 15 -0.383 -11.827 -11.762 101 HE2 PHE 15 HE2 PHE 15 -1.594 -7.986 -10.266 102 HZ PHE 15 HZ PHE 15 -0.738 -9.398 -12.118 103 H ILE 16 H ILE 16 -1.084 -10.055 -4.550 104 HA ILE 16 HA ILE 16 -1.822 -12.262 -2.667 105 HB ILE 16 HB ILE 16 -0.668 -11.033 -0.851 106 HG12 ILE 16 1HG1 ILE 16 0.492 -9.343 -3.094 107 HG13 ILE 16 2HG1 ILE 16 -0.745 -8.780 -1.970 108 HG21 ILE 16 1HG2 ILE 16 1.092 -11.716 -3.223 109 HG22 ILE 16 2HG2 ILE 16 0.455 -12.870 -2.052 110 HG23 ILE 16 3HG2 ILE 16 1.614 -11.645 -1.540 111 HD11 ILE 16 3HD1 ILE 16 2.029 -9.749 -1.219 112 HD12 ILE 16 1HD1 ILE 16 0.784 -9.252 -0.073 113 HD13 ILE 16 2HD1 ILE 16 1.472 -8.074 -1.191 114 H LYS 17 H LYS 17 -3.439 -11.745 -1.194 115 HA LYS 17 HA LYS 17 -5.125 -9.442 -1.961 116 HB2 LYS 17 1HB LYS 17 -5.540 -11.839 -0.168 117 HB3 LYS 17 2HB LYS 17 -6.729 -10.543 -0.311 118 HG2 LYS 17 1HG LYS 17 -6.827 -10.921 -2.758 119 HG3 LYS 17 2HG LYS 17 -5.662 -12.235 -2.593 120 HD2 LYS 17 1HD LYS 17 -7.216 -13.468 -1.152 121 HD3 LYS 17 2HD LYS 17 -8.374 -12.141 -1.237 122 HE2 LYS 17 1HE LYS 17 -8.546 -12.445 -3.681 123 HE3 LYS 17 2HE LYS 17 -7.394 -13.778 -3.596 124 HZ1 LYS 17 3HZ LYS 17 -10.177 -13.801 -3.100 125 HZ2 LYS 17 1HZ LYS 17 -9.348 -14.304 -1.709 126 HZ3 LYS 17 2HZ LYS 17 -9.097 -15.109 -3.184 127 H VAL 18 H VAL 18 -5.192 -7.596 -0.814 128 HA VAL 18 HA VAL 18 -4.461 -7.623 2.072 129 HB VAL 18 HB VAL 18 -3.097 -5.546 1.714 130 HG11 VAL 18 1HG1 VAL 18 -2.112 -7.969 0.184 131 HG12 VAL 18 2HG1 VAL 18 -2.115 -7.839 1.942 132 HG13 VAL 18 3HG1 VAL 18 -1.119 -6.746 0.979 133 HG21 VAL 18 3HG2 VAL 18 -2.277 -5.124 -0.593 134 HG22 VAL 18 1HG2 VAL 18 -4.022 -4.892 -0.470 135 HG23 VAL 18 2HG2 VAL 18 -3.376 -6.364 -1.197 136 H ASN 19 H ASN 19 -5.142 -5.616 3.164 137 HA ASN 19 HA ASN 19 -7.654 -4.549 1.956 138 HB2 ASN 19 1HB ASN 19 -6.592 -4.604 4.792 139 HB3 ASN 19 2HB ASN 19 -8.056 -3.740 4.324 140 HD21 ASN 19 2HD2 ASN 19 -8.474 -6.043 2.225 141 HD22 ASN 19 1HD2 ASN 19 -9.169 -7.277 3.156 142 H VAL 20 H VAL 20 -7.877 -2.398 1.517 143 HA VAL 20 HA VAL 20 -5.587 -0.581 2.211 144 HB VAL 20 HB VAL 20 -7.155 -0.815 -0.365 145 HG11 VAL 20 1HG1 VAL 20 -5.645 1.143 -1.050 146 HG12 VAL 20 2HG1 VAL 20 -5.366 1.391 0.673 147 HG13 VAL 20 3HG1 VAL 20 -6.994 1.533 0.013 148 HG21 VAL 20 3HG2 VAL 20 -5.132 -2.295 0.093 149 HG22 VAL 20 1HG2 VAL 20 -4.169 -0.818 0.130 150 HG23 VAL 20 2HG2 VAL 20 -5.015 -1.282 -1.346 151 H SER 21 H SER 21 -6.171 1.274 3.181 152 HA SER 21 HA SER 21 -9.007 2.197 3.004 153 HB2 SER 21 1HB SER 21 -9.051 2.600 5.412 154 HB3 SER 21 2HB SER 21 -8.711 0.898 5.110 155 HG SER 21 HG SER 21 -6.497 1.377 5.410 156 H ASN 22 H ASN 22 -9.225 4.468 3.709 157 HA ASN 22 HA ASN 22 -6.707 6.046 3.696 158 HB2 ASN 22 1HB ASN 22 -7.460 5.882 1.334 159 HB3 ASN 22 2HB ASN 22 -9.018 6.568 1.800 160 HD21 ASN 22 2HD2 ASN 22 -8.784 8.577 0.656 161 HD22 ASN 22 1HD2 ASN 22 -7.607 9.729 1.065 162 H SER 23 H SER 23 -6.857 7.873 4.918 163 HA SER 23 HA SER 23 -8.914 8.137 6.862 164 HB2 SER 23 1HB SER 23 -6.921 10.185 5.854 165 HB3 SER 23 2HB SER 23 -7.853 10.336 7.340 166 HG SER 23 HG SER 23 -5.594 9.355 7.334 167 H HIS 24 H HIS 24 -8.434 9.785 3.750 168 HA HIS 24 HA HIS 24 -10.974 11.296 4.163 169 HB2 HIS 24 1HB HIS 24 -8.735 11.551 2.149 170 HB3 HIS 24 2HB HIS 24 -10.234 12.476 2.050 171 HD1 HIS 24 HD1 HIS 24 -7.138 12.065 4.153 172 HD2 HIS 24 HD2 HIS 24 -10.500 14.525 3.986 173 HE1 HIS 24 HE1 HIS 24 -6.713 13.970 5.768 174 H ASN 25 H ASN 25 -12.523 11.377 2.407 175 HA ASN 25 HA ASN 25 -13.964 10.368 0.884 176 HB2 ASN 25 1HB ASN 25 -11.531 8.873 -0.133 177 HB3 ASN 25 2HB ASN 25 -13.006 9.262 -1.017 178 HD21 ASN 25 2HD2 ASN 25 -13.333 11.503 -1.697 179 HD22 ASN 25 1HD2 ASN 25 -12.049 12.613 -1.708 180 H ASP 26 H ASP 26 -15.245 8.528 0.746 181 HA ASP 26 HA ASP 26 -14.746 6.492 2.812 182 HB2 ASP 26 1HB ASP 26 -17.047 6.964 0.890 183 HB3 ASP 26 2HB ASP 26 -17.027 5.690 2.112 184 H ALA 27 H ALA 27 -13.480 6.861 -0.095 185 HA ALA 27 HA ALA 27 -14.072 4.436 -1.506 186 HB1 ALA 27 3HB ALA 27 -11.638 6.238 -1.543 187 HB2 ALA 27 1HB ALA 27 -13.001 6.274 -2.662 188 HB3 ALA 27 2HB ALA 27 -11.889 4.905 -2.671 189 H VAL 28 H VAL 28 -13.812 2.498 -0.483 190 HA VAL 28 HA VAL 28 -11.133 1.929 0.741 191 HB VAL 28 HB VAL 28 -13.856 1.113 1.800 192 HG11 VAL 28 1HG1 VAL 28 -12.379 0.146 3.667 193 HG12 VAL 28 2HG1 VAL 28 -11.038 0.295 2.532 194 HG13 VAL 28 3HG1 VAL 28 -12.409 -0.746 2.145 195 HG21 VAL 28 3HG2 VAL 28 -12.909 2.346 3.847 196 HG22 VAL 28 1HG2 VAL 28 -13.393 3.348 2.479 197 HG23 VAL 28 2HG2 VAL 28 -11.687 2.995 2.755 198 H ALA 29 H ALA 29 -10.238 0.064 0.002 199 HA ALA 29 HA ALA 29 -11.914 -1.656 -1.800 200 HB1 ALA 29 3HB ALA 29 -8.898 -1.630 -1.695 201 HB2 ALA 29 1HB ALA 29 -9.789 -0.439 -2.642 202 HB3 ALA 29 2HB ALA 29 -9.948 -2.157 -3.010 203 H PHE 30 H PHE 30 -12.077 -3.825 -1.368 204 HA PHE 30 HA PHE 30 -10.795 -4.808 1.160 205 HB2 PHE 30 1HB PHE 30 -13.398 -5.512 -0.205 206 HB3 PHE 30 2HB PHE 30 -12.703 -6.497 1.082 207 HD1 PHE 30 HD2 PHE 30 -12.261 -5.455 3.337 208 HD2 PHE 30 HD1 PHE 30 -14.527 -3.465 0.278 209 HE1 PHE 30 HE2 PHE 30 -13.201 -3.914 5.037 210 HE2 PHE 30 HE1 PHE 30 -15.468 -1.924 1.979 211 HZ PHE 30 HZ PHE 30 -14.805 -2.149 4.358 212 H GLU 31 H GLU 31 -9.802 -6.788 1.170 213 HA GLU 31 HA GLU 31 -8.276 -8.298 0.170 214 HB2 GLU 31 1HB GLU 31 -9.563 -10.153 -0.908 215 HB3 GLU 31 2HB GLU 31 -10.251 -9.630 0.628 216 HG2 GLU 31 1HG GLU 31 -11.970 -8.362 -0.484 217 HG3 GLU 31 2HG GLU 31 -11.208 -8.604 -2.057 218 H VAL 32 H VAL 32 -8.089 -5.965 -1.317 219 HA VAL 32 HA VAL 32 -8.524 -6.556 -4.143 220 HB VAL 32 HB VAL 32 -8.565 -4.233 -3.169 221 HG11 VAL 32 1HG1 VAL 32 -6.453 -4.694 -1.766 222 HG12 VAL 32 2HG1 VAL 32 -6.557 -3.128 -2.569 223 HG13 VAL 32 3HG1 VAL 32 -5.549 -4.404 -3.253 224 HG21 VAL 32 3HG2 VAL 32 -7.418 -3.227 -5.097 225 HG22 VAL 32 1HG2 VAL 32 -8.299 -4.672 -5.593 226 HG23 VAL 32 2HG2 VAL 32 -6.549 -4.736 -5.380 227 H LYS 33 H LYS 33 -7.184 -7.660 -5.425 228 HA LYS 33 HA LYS 33 -4.640 -8.642 -4.356 229 HB2 LYS 33 1HB LYS 33 -4.606 -10.055 -6.326 230 HB3 LYS 33 2HB LYS 33 -6.216 -10.098 -5.620 231 HG2 LYS 33 1HG LYS 33 -6.906 -8.320 -7.257 232 HG3 LYS 33 2HG LYS 33 -5.330 -8.481 -8.028 233 HD2 LYS 33 1HD LYS 33 -5.773 -10.863 -8.464 234 HD3 LYS 33 2HD LYS 33 -7.350 -10.714 -7.687 235 HE2 LYS 33 1HE LYS 33 -8.026 -9.039 -9.368 236 HE3 LYS 33 2HE LYS 33 -6.451 -9.184 -10.146 237 HZ1 LYS 33 3HZ LYS 33 -7.257 -11.746 -9.994 238 HZ2 LYS 33 1HZ LYS 33 -7.446 -10.755 -11.358 239 HZ3 LYS 33 2HZ LYS 33 -8.731 -10.944 -10.262 240 H LEU 34 H LEU 34 -2.627 -8.003 -4.978 241 HA LEU 34 HA LEU 34 -2.352 -6.126 -7.283 242 HB2 LEU 34 1HB LEU 34 -1.261 -5.718 -4.488 243 HB3 LEU 34 2HB LEU 34 -0.769 -4.766 -5.887 244 HG LEU 34 HG LEU 34 -3.640 -5.027 -4.945 245 HD11 LEU 34 1HD1 LEU 34 -1.589 -2.861 -4.411 246 HD12 LEU 34 2HD1 LEU 34 -2.357 -3.908 -3.216 247 HD13 LEU 34 3HD1 LEU 34 -3.315 -2.704 -4.078 248 HD21 LEU 34 3HD2 LEU 34 -3.695 -2.793 -6.350 249 HD22 LEU 34 1HD2 LEU 34 -3.751 -4.337 -7.190 250 HD23 LEU 34 2HD2 LEU 34 -2.237 -3.439 -7.097 251 H ALA 35 H ALA 35 -0.446 -6.351 -8.404 252 HA ALA 35 HA ALA 35 0.990 -8.832 -8.062 253 HB1 ALA 35 3HB ALA 35 1.067 -6.513 -9.932 254 HB2 ALA 35 1HB ALA 35 1.031 -8.235 -10.292 255 HB3 ALA 35 2HB ALA 35 2.545 -7.468 -9.819 256 H LYS 36 H LYS 36 2.946 -9.200 -7.110 257 HA LYS 36 HA LYS 36 3.946 -7.264 -5.189 258 HB2 LYS 36 1HB LYS 36 5.038 -9.917 -6.148 259 HB3 LYS 36 2HB LYS 36 5.657 -9.022 -4.761 260 HG2 LYS 36 1HG LYS 36 3.397 -9.135 -3.720 261 HG3 LYS 36 2HG LYS 36 2.844 -10.110 -5.079 262 HD2 LYS 36 1HD LYS 36 5.228 -10.904 -3.400 263 HD3 LYS 36 2HD LYS 36 3.589 -11.386 -2.975 264 HE2 LYS 36 1HE LYS 36 3.407 -12.342 -5.349 265 HE3 LYS 36 2HE LYS 36 5.152 -12.114 -5.463 266 HZ1 LYS 36 3HZ LYS 36 5.401 -14.017 -4.399 267 HZ2 LYS 36 1HZ LYS 36 3.726 -14.175 -4.182 268 HZ3 LYS 36 2HZ LYS 36 4.657 -13.343 -3.028 269 H ASP 37 H ASP 37 4.561 -7.887 -8.501 270 HA ASP 37 HA ASP 37 7.337 -6.956 -8.486 271 HB2 ASP 37 1HB ASP 37 5.351 -7.490 -10.713 272 HB3 ASP 37 2HB ASP 37 7.014 -6.972 -10.997 273 H LEU 38 H LEU 38 4.446 -5.394 -8.040 274 HA LEU 38 HA LEU 38 4.898 -3.050 -9.713 275 HB2 LEU 38 1HB LEU 38 3.088 -3.489 -7.325 276 HB3 LEU 38 2HB LEU 38 3.063 -2.048 -8.340 277 HG LEU 38 HG LEU 38 2.606 -4.874 -9.335 278 HD11 LEU 38 1HD1 LEU 38 0.229 -3.953 -9.658 279 HD12 LEU 38 2HD1 LEU 38 0.706 -2.650 -8.567 280 HD13 LEU 38 3HD1 LEU 38 0.714 -4.322 -8.003 281 HD21 LEU 38 3HD2 LEU 38 3.331 -3.708 -11.230 282 HD22 LEU 38 1HD2 LEU 38 2.697 -2.165 -10.654 283 HD23 LEU 38 2HD2 LEU 38 1.604 -3.390 -11.296 284 H THR 39 H THR 39 5.764 -1.078 -9.125 285 HA THR 39 HA THR 39 7.593 -1.138 -6.829 286 HB THR 39 HB THR 39 8.423 0.995 -7.730 287 HG1 THR 39 HG1 THR 39 7.443 1.891 -9.502 288 HG21 THR 39 3HG2 THR 39 9.013 0.108 -10.052 289 HG22 THR 39 1HG2 THR 39 7.987 -1.275 -9.674 290 HG23 THR 39 2HG2 THR 39 9.415 -0.944 -8.695 291 H VAL 40 H VAL 40 7.719 0.796 -5.398 292 HA VAL 40 HA VAL 40 5.231 1.234 -4.045 293 HB VAL 40 HB VAL 40 7.890 2.667 -3.877 294 HG11 VAL 40 1HG1 VAL 40 6.280 4.171 -2.963 295 HG12 VAL 40 2HG1 VAL 40 6.980 3.327 -1.582 296 HG13 VAL 40 3HG1 VAL 40 5.392 2.856 -2.190 297 HG21 VAL 40 3HG2 VAL 40 8.318 1.240 -1.995 298 HG22 VAL 40 1HG2 VAL 40 7.757 0.193 -3.299 299 HG23 VAL 40 2HG2 VAL 40 6.660 0.643 -1.993 300 H ALA 41 H ALA 41 7.149 3.313 -6.221 301 HA ALA 41 HA ALA 41 5.513 5.641 -6.018 302 HB1 ALA 41 3HB ALA 41 7.778 5.538 -7.089 303 HB2 ALA 41 1HB ALA 41 6.572 6.339 -8.097 304 HB3 ALA 41 2HB ALA 41 7.047 4.678 -8.445 305 H GLN 42 H GLN 42 5.363 2.883 -8.262 306 HA GLN 42 HA GLN 42 3.165 3.839 -9.830 307 HB2 GLN 42 1HB GLN 42 4.167 1.052 -9.205 308 HB3 GLN 42 2HB GLN 42 2.849 1.361 -10.336 309 HG2 GLN 42 1HG GLN 42 4.317 2.765 -11.703 310 HG3 GLN 42 2HG GLN 42 5.633 2.542 -10.550 311 HE21 GLN 42 2HE2 GLN 42 6.521 1.687 -12.847 312 HE22 GLN 42 1HE2 GLN 42 6.360 0.013 -13.084 313 H LEU 43 H LEU 43 3.351 2.054 -6.806 314 HA LEU 43 HA LEU 43 0.593 1.343 -6.627 315 HB2 LEU 43 1HB LEU 43 2.333 0.356 -5.174 316 HB3 LEU 43 2HB LEU 43 2.577 1.922 -4.405 317 HG LEU 43 HG LEU 43 0.259 1.904 -3.578 318 HD11 LEU 43 1HD1 LEU 43 0.126 -0.606 -5.240 319 HD12 LEU 43 2HD1 LEU 43 -1.034 0.718 -5.128 320 HD13 LEU 43 3HD1 LEU 43 -0.905 -0.449 -3.817 321 HD21 LEU 43 3HD2 LEU 43 1.626 -0.733 -2.969 322 HD22 LEU 43 1HD2 LEU 43 0.520 0.154 -1.921 323 HD23 LEU 43 2HD2 LEU 43 2.117 0.811 -2.275 324 H LYS 44 H LYS 44 2.386 4.223 -5.615 325 HA LYS 44 HA LYS 44 0.266 5.503 -4.194 326 HB2 LYS 44 1HB LYS 44 2.863 6.294 -5.400 327 HB3 LYS 44 2HB LYS 44 1.710 7.613 -5.233 328 HG2 LYS 44 1HG LYS 44 3.037 7.547 -3.230 329 HG3 LYS 44 2HG LYS 44 1.435 6.947 -2.808 330 HD2 LYS 44 1HD LYS 44 2.238 4.629 -3.024 331 HD3 LYS 44 2HD LYS 44 3.840 5.221 -3.469 332 HE2 LYS 44 1HE LYS 44 4.026 6.365 -1.290 333 HE3 LYS 44 2HE LYS 44 2.427 5.770 -0.844 334 HZ1 LYS 44 3HZ LYS 44 3.827 4.218 0.090 335 HZ2 LYS 44 1HZ LYS 44 4.933 4.268 -1.191 336 HZ3 LYS 44 2HZ LYS 44 3.442 3.481 -1.392 337 H THR 45 H THR 45 1.200 5.626 -7.627 338 HA THR 45 HA THR 45 -0.679 7.582 -8.457 339 HB THR 45 HB THR 45 -0.381 6.622 -10.688 340 HG1 THR 45 HG1 THR 45 -0.540 4.442 -10.101 341 HG21 THR 45 3HG2 THR 45 2.011 6.807 -10.862 342 HG22 THR 45 1HG2 THR 45 2.216 6.371 -9.168 343 HG23 THR 45 2HG2 THR 45 1.491 7.919 -9.595 344 H LYS 46 H LYS 46 -0.977 4.041 -8.228 345 HA LYS 46 HA LYS 46 -3.637 3.855 -9.263 346 HB2 LYS 46 1HB LYS 46 -2.132 2.113 -7.287 347 HB3 LYS 46 2HB LYS 46 -3.680 1.669 -8.007 348 HG2 LYS 46 1HG LYS 46 -2.667 1.844 -10.262 349 HG3 LYS 46 2HG LYS 46 -1.119 2.253 -9.524 350 HD2 LYS 46 1HD LYS 46 -1.056 0.089 -8.380 351 HD3 LYS 46 2HD LYS 46 -2.643 -0.322 -9.031 352 HE2 LYS 46 1HE LYS 46 -0.687 -1.311 -10.306 353 HE3 LYS 46 2HE LYS 46 -1.800 -0.354 -11.284 354 HZ1 LYS 46 3HZ LYS 46 0.389 1.105 -10.054 355 HZ2 LYS 46 1HZ LYS 46 -0.280 1.253 -11.606 356 HZ3 LYS 46 2HZ LYS 46 0.831 0.010 -11.277 357 H LEU 47 H LEU 47 -2.402 4.229 -5.957 358 HA LEU 47 HA LEU 47 -4.957 4.167 -4.649 359 HB2 LEU 47 1HB LEU 47 -2.322 5.431 -3.856 360 HB3 LEU 47 2HB LEU 47 -3.712 5.315 -2.782 361 HG LEU 47 HG LEU 47 -2.415 2.927 -4.129 362 HD11 LEU 47 1HD1 LEU 47 -1.516 2.471 -1.805 363 HD12 LEU 47 2HD1 LEU 47 -1.994 4.113 -1.374 364 HD13 LEU 47 3HD1 LEU 47 -0.781 3.848 -2.627 365 HD21 LEU 47 3HD2 LEU 47 -3.660 1.842 -2.053 366 HD22 LEU 47 1HD2 LEU 47 -4.553 2.201 -3.527 367 HD23 LEU 47 2HD2 LEU 47 -4.656 3.293 -2.147 368 H GLU 48 H GLU 48 -3.015 6.782 -6.027 369 HA GLU 48 HA GLU 48 -4.517 8.992 -5.079 370 HB2 GLU 48 1HB GLU 48 -2.354 9.148 -6.345 371 HB3 GLU 48 2HB GLU 48 -3.234 8.721 -7.815 372 HG2 GLU 48 1HG GLU 48 -4.670 10.693 -7.555 373 HG3 GLU 48 2HG GLU 48 -3.844 11.112 -6.055 374 H ILE 49 H ILE 49 -5.061 6.823 -7.803 375 HA ILE 49 HA ILE 49 -7.317 8.269 -8.886 376 HB ILE 49 HB ILE 49 -6.665 5.315 -9.085 377 HG12 ILE 49 1HG1 ILE 49 -4.861 7.099 -9.798 378 HG13 ILE 49 2HG1 ILE 49 -5.229 5.768 -10.884 379 HG21 ILE 49 1HG2 ILE 49 -8.852 5.573 -9.918 380 HG22 ILE 49 2HG2 ILE 49 -7.854 5.702 -11.365 381 HG23 ILE 49 3HG2 ILE 49 -8.503 7.158 -10.610 382 HD11 ILE 49 3HD1 ILE 49 -5.150 8.173 -11.868 383 HD12 ILE 49 1HD1 ILE 49 -6.724 8.377 -11.102 384 HD13 ILE 49 2HD1 ILE 49 -6.496 7.128 -12.322 385 H LEU 50 H LEU 50 -6.996 5.550 -6.639 386 HA LEU 50 HA LEU 50 -9.796 5.099 -6.260 387 HB2 LEU 50 1HB LEU 50 -7.323 4.498 -4.650 388 HB3 LEU 50 2HB LEU 50 -8.920 4.112 -4.008 389 HG LEU 50 HG LEU 50 -8.199 3.217 -6.799 390 HD11 LEU 50 1HD1 LEU 50 -7.329 1.926 -4.201 391 HD12 LEU 50 2HD1 LEU 50 -6.319 2.381 -5.573 392 HD13 LEU 50 3HD1 LEU 50 -7.448 1.035 -5.719 393 HD21 LEU 50 3HD2 LEU 50 -9.743 1.366 -6.187 394 HD22 LEU 50 1HD2 LEU 50 -10.519 2.936 -5.999 395 HD23 LEU 50 2HD2 LEU 50 -9.934 2.070 -4.582 396 H THR 51 H THR 51 -7.477 7.184 -4.548 397 HA THR 51 HA THR 51 -9.653 8.174 -2.782 398 HB THR 51 HB THR 51 -7.889 9.282 -1.545 399 HG1 THR 51 HG1 THR 51 -6.730 9.391 -3.876 400 HG21 THR 51 3HG2 THR 51 -8.135 6.814 -1.248 401 HG22 THR 51 1HG2 THR 51 -6.492 7.377 -0.938 402 HG23 THR 51 2HG2 THR 51 -6.876 6.575 -2.460 403 H GLY 52 H GLY 52 -8.107 8.973 -5.720 404 HA2 GLY 52 1HA GLY 52 -8.358 10.817 -7.155 405 HA3 GLY 52 2HA GLY 52 -9.760 11.266 -6.184 406 H GLY 53 H GLY 53 -6.774 10.891 -4.509 407 HA2 GLY 53 1HA GLY 53 -6.750 13.795 -3.927 408 HA3 GLY 53 2HA GLY 53 -5.837 12.557 -3.067 409 H CYS 54 H CYS 54 -3.839 13.587 -3.245 410 HA CYS 54 HA CYS 54 -2.690 13.752 -6.012 411 HB2 CYS 54 1HB CYS 54 -2.524 15.636 -3.684 412 HB3 CYS 54 2HB CYS 54 -1.139 15.514 -4.773 413 HG CYS 54 HG CYS 54 -3.009 17.321 -5.585 414 H ALA 55 H ALA 55 -0.887 12.595 -6.321 415 HA ALA 55 HA ALA 55 0.111 10.851 -4.224 416 HB1 ALA 55 3HB ALA 55 1.759 10.190 -6.024 417 HB2 ALA 55 1HB ALA 55 1.002 11.398 -7.060 418 HB3 ALA 55 2HB ALA 55 0.064 10.020 -6.484 419 H GLY 56 H GLY 56 0.817 14.038 -5.213 420 HA2 GLY 56 1HA GLY 56 3.646 14.050 -4.520 421 HA3 GLY 56 2HA GLY 56 2.643 15.477 -4.787 422 H THR 57 H THR 57 0.958 13.642 -2.660 423 HA THR 57 HA THR 57 2.399 14.503 -0.217 424 HB THR 57 HB THR 57 1.068 16.442 -0.447 425 HG1 THR 57 HG1 THR 57 -0.770 14.783 0.886 426 HG21 THR 57 3HG2 THR 57 -0.265 15.910 -2.341 427 HG22 THR 57 1HG2 THR 57 -1.412 16.213 -1.036 428 HG23 THR 57 2HG2 THR 57 -1.035 14.557 -1.513 429 H MET 58 H MET 58 1.330 12.034 -1.754 430 HA MET 58 HA MET 58 -0.561 10.878 0.188 431 HB2 MET 58 1HB MET 58 -0.883 10.375 -2.171 432 HB3 MET 58 2HB MET 58 0.752 9.726 -2.283 433 HG2 MET 58 1HG MET 58 0.198 7.908 -0.775 434 HG3 MET 58 2HG MET 58 -1.389 8.604 -0.453 435 HE1 MET 58 3HE MET 58 -3.563 8.051 -3.190 436 HE2 MET 58 1HE MET 58 -2.490 9.337 -3.760 437 HE3 MET 58 2HE MET 58 -2.940 9.245 -2.059 438 H LYS 59 H LYS 59 -0.023 9.526 1.814 439 HA LYS 59 HA LYS 59 2.762 8.404 1.905 440 HB2 LYS 59 1HB LYS 59 1.127 9.667 4.114 441 HB3 LYS 59 2HB LYS 59 2.576 8.707 4.405 442 HG2 LYS 59 1HG LYS 59 3.921 10.241 3.097 443 HG3 LYS 59 2HG LYS 59 2.486 11.137 2.601 444 HD2 LYS 59 1HD LYS 59 3.577 12.351 4.403 445 HD3 LYS 59 2HD LYS 59 2.056 11.690 5.001 446 HE2 LYS 59 1HE LYS 59 3.132 10.002 6.241 447 HE3 LYS 59 2HE LYS 59 4.632 10.152 5.324 448 HZ1 LYS 59 3HZ LYS 59 3.907 12.608 6.564 449 HZ2 LYS 59 1HZ LYS 59 5.348 11.723 6.692 450 HZ3 LYS 59 2HZ LYS 59 4.035 11.360 7.709 451 H VAL 60 H VAL 60 2.832 6.248 2.316 452 HA VAL 60 HA VAL 60 0.296 4.881 3.172 453 HB VAL 60 HB VAL 60 2.447 3.998 1.233 454 HG11 VAL 60 1HG1 VAL 60 0.923 1.945 1.032 455 HG12 VAL 60 2HG1 VAL 60 0.200 2.464 2.554 456 HG13 VAL 60 3HG1 VAL 60 1.910 2.041 2.490 457 HG21 VAL 60 3HG2 VAL 60 -0.544 4.195 0.835 458 HG22 VAL 60 1HG2 VAL 60 0.709 4.059 -0.398 459 HG23 VAL 60 2HG2 VAL 60 0.534 5.555 0.519 460 H GLN 61 H GLN 61 0.459 3.567 4.915 461 HA GLN 61 HA GLN 61 3.199 2.871 5.935 462 HB2 GLN 61 1HB GLN 61 0.791 3.606 7.623 463 HB3 GLN 61 2HB GLN 61 2.424 3.269 8.198 464 HG2 GLN 61 1HG GLN 61 2.274 5.643 8.147 465 HG3 GLN 61 2HG GLN 61 3.181 5.212 6.695 466 HE21 GLN 61 2HE2 GLN 61 2.500 6.868 5.267 467 HE22 GLN 61 1HE2 GLN 61 0.878 7.132 4.836 468 H VAL 62 H VAL 62 3.450 0.756 6.391 469 HA VAL 62 HA VAL 62 1.216 -1.074 5.877 470 HB VAL 62 HB VAL 62 4.068 -1.647 6.722 471 HG11 VAL 62 1HG1 VAL 62 1.890 -3.410 5.560 472 HG12 VAL 62 2HG1 VAL 62 2.558 -3.521 7.189 473 HG13 VAL 62 3HG1 VAL 62 3.566 -3.905 5.795 474 HG21 VAL 62 3HG2 VAL 62 2.747 -1.593 3.992 475 HG22 VAL 62 1HG2 VAL 62 4.392 -2.144 4.309 476 HG23 VAL 62 2HG2 VAL 62 3.961 -0.455 4.580 477 H PHE 63 H PHE 63 0.053 -2.134 7.394 478 HA PHE 63 HA PHE 63 0.922 -1.963 10.255 479 HB2 PHE 63 1HB PHE 63 -1.768 -1.423 9.006 480 HB3 PHE 63 2HB PHE 63 -1.642 -1.926 10.692 481 HD1 PHE 63 HD2 PHE 63 0.065 -0.628 12.169 482 HD2 PHE 63 HD1 PHE 63 -1.528 0.860 8.463 483 HE1 PHE 63 HE2 PHE 63 0.660 1.686 12.838 484 HE2 PHE 63 HE1 PHE 63 -0.934 3.172 9.135 485 HZ PHE 63 HZ PHE 63 0.161 3.585 11.322 486 H LYS 64 H LYS 64 0.561 -3.753 11.490 487 HA LYS 64 HA LYS 64 -0.831 -6.087 10.305 488 HB2 LYS 64 1HB LYS 64 1.565 -6.295 9.660 489 HB3 LYS 64 2HB LYS 64 2.014 -6.208 11.364 490 HG2 LYS 64 1HG LYS 64 0.748 -8.239 11.840 491 HG3 LYS 64 2HG LYS 64 0.171 -8.303 10.174 492 HD2 LYS 64 1HD LYS 64 2.514 -8.522 9.389 493 HD3 LYS 64 2HD LYS 64 3.063 -8.517 11.066 494 HE2 LYS 64 1HE LYS 64 1.099 -10.527 9.934 495 HE3 LYS 64 2HE LYS 64 2.830 -10.821 10.095 496 HZ1 LYS 64 3HZ LYS 64 2.108 -11.645 12.068 497 HZ2 LYS 64 1HZ LYS 64 0.779 -10.596 12.167 498 HZ3 LYS 64 2HZ LYS 64 2.337 -10.028 12.536 499 H GLY 65 H GLY 65 -2.376 -5.679 11.948 500 HA2 GLY 65 1HA GLY 65 -3.306 -6.332 14.019 501 HA3 GLY 65 2HA GLY 65 -1.714 -6.892 14.523 502 H ASP 66 H ASP 66 -1.131 -5.815 16.311 503 HA ASP 66 HA ASP 66 -1.886 -2.946 16.621 504 HB2 ASP 66 1HB ASP 66 -1.206 -3.321 19.005 505 HB3 ASP 66 2HB ASP 66 -2.521 -4.370 18.482 506 H THR 67 H THR 67 0.505 -4.429 15.131 507 HA THR 67 HA THR 67 2.594 -2.526 16.135 508 HB THR 67 HB THR 67 3.043 -5.384 15.232 509 HG1 THR 67 HG1 THR 67 3.211 -4.084 17.747 510 HG21 THR 67 3HG2 THR 67 4.911 -4.030 14.564 511 HG22 THR 67 1HG2 THR 67 5.387 -4.857 16.048 512 HG23 THR 67 2HG2 THR 67 4.904 -3.161 16.099 513 H CYS 68 H CYS 68 3.452 -1.281 14.589 514 HA CYS 68 HA CYS 68 2.552 -1.567 11.830 515 HB2 CYS 68 1HB CYS 68 2.837 0.644 12.952 516 HB3 CYS 68 2HB CYS 68 4.575 0.356 13.009 517 HG CYS 68 HG CYS 68 4.735 0.672 10.502 518 H VAL 69 H VAL 69 3.598 -2.720 10.296 519 HA VAL 69 HA VAL 69 6.039 -4.134 10.827 520 HB VAL 69 HB VAL 69 4.667 -3.515 8.197 521 HG11 VAL 69 1HG1 VAL 69 6.887 -5.431 8.945 522 HG12 VAL 69 2HG1 VAL 69 6.924 -4.162 7.720 523 HG13 VAL 69 3HG1 VAL 69 5.934 -5.600 7.470 524 HG21 VAL 69 3HG2 VAL 69 3.403 -4.817 10.020 525 HG22 VAL 69 1HG2 VAL 69 4.600 -6.091 9.782 526 HG23 VAL 69 2HG2 VAL 69 3.553 -5.603 8.450 527 H SER 70 H SER 70 5.344 -1.229 8.860 528 HA SER 70 HA SER 70 7.648 0.202 9.461 529 HB2 SER 70 1HB SER 70 8.174 -1.985 7.503 530 HB3 SER 70 2HB SER 70 8.900 -0.421 7.144 531 HG SER 70 HG SER 70 9.566 -2.252 9.016 532 H THR 71 H THR 71 8.327 1.683 7.504 533 HA THR 71 HA THR 71 5.830 2.442 6.024 534 HB THR 71 HB THR 71 8.115 4.201 6.962 535 HG1 THR 71 HG1 THR 71 5.785 4.863 7.989 536 HG21 THR 71 3HG2 THR 71 7.173 5.127 4.967 537 HG22 THR 71 1HG2 THR 71 6.443 6.006 6.310 538 HG23 THR 71 2HG2 THR 71 5.533 4.740 5.486 539 H MET 72 H MET 72 5.959 2.443 3.852 540 HA MET 72 HA MET 72 8.274 1.456 2.482 541 HB2 MET 72 1HB MET 72 5.777 2.852 1.484 542 HB3 MET 72 2HB MET 72 6.981 2.119 0.422 543 HG2 MET 72 1HG MET 72 6.634 -0.061 1.537 544 HG3 MET 72 2HG MET 72 5.425 0.674 2.589 545 HE1 MET 72 3HE MET 72 3.156 -0.739 1.842 546 HE2 MET 72 1HE MET 72 4.641 -1.651 1.528 547 HE3 MET 72 2HE MET 72 3.358 -1.605 0.321 548 H ASP 73 H ASP 73 9.948 2.911 3.195 549 HA ASP 73 HA ASP 73 9.823 5.721 2.257 550 HB2 ASP 73 1HB ASP 73 11.837 4.150 3.884 551 HB3 ASP 73 2HB ASP 73 12.095 5.823 3.387 552 H ASN 74 H ASN 74 11.090 2.642 1.289 553 HA ASN 74 HA ASN 74 13.104 3.842 -0.516 554 HB2 ASN 74 1HB ASN 74 12.256 0.972 -0.028 555 HB3 ASN 74 2HB ASN 74 13.518 1.451 -1.165 556 HD21 ASN 74 2HD2 ASN 74 14.293 3.734 0.769 557 HD22 ASN 74 1HD2 ASN 74 15.198 2.957 1.973 558 H ASN 75 H ASN 75 12.184 4.847 -2.229 559 HA ASN 75 HA ASN 75 9.744 4.006 -3.510 560 HB2 ASN 75 1HB ASN 75 11.957 5.754 -4.613 561 HB3 ASN 75 2HB ASN 75 10.297 5.674 -5.201 562 HD21 ASN 75 2HD2 ASN 75 8.947 5.627 -2.649 563 HD22 ASN 75 1HD2 ASN 75 9.193 7.131 -1.902 564 H ASP 76 H ASP 76 13.165 3.380 -4.064 565 HA ASP 76 HA ASP 76 12.749 2.078 -6.638 566 HB2 ASP 76 1HB ASP 76 15.137 1.384 -6.358 567 HB3 ASP 76 2HB ASP 76 14.901 3.118 -6.148 568 H ALA 77 H ALA 77 11.961 1.161 -3.554 569 HA ALA 77 HA ALA 77 12.701 -1.680 -3.812 570 HB1 ALA 77 3HB ALA 77 11.450 -1.900 -1.654 571 HB2 ALA 77 1HB ALA 77 11.078 -0.179 -1.743 572 HB3 ALA 77 2HB ALA 77 12.751 -0.713 -1.590 573 H GLN 78 H GLN 78 11.201 -3.368 -4.077 574 HA GLN 78 HA GLN 78 8.881 -2.685 -5.705 575 HB2 GLN 78 1HB GLN 78 10.059 -5.298 -4.760 576 HB3 GLN 78 2HB GLN 78 8.574 -5.217 -5.710 577 HG2 GLN 78 1HG GLN 78 9.785 -3.980 -7.480 578 HG3 GLN 78 2HG GLN 78 11.270 -4.095 -6.535 579 HE21 GLN 78 2HE2 GLN 78 11.645 -5.248 -8.895 580 HE22 GLN 78 1HE2 GLN 78 11.481 -6.937 -8.853 581 H LEU 79 H LEU 79 6.741 -3.707 -5.242 582 HA LEU 79 HA LEU 79 5.740 -2.869 -2.704 583 HB2 LEU 79 1HB LEU 79 4.296 -2.995 -4.680 584 HB3 LEU 79 2HB LEU 79 4.544 -4.737 -4.773 585 HG LEU 79 HG LEU 79 3.408 -5.063 -2.638 586 HD11 LEU 79 1HD1 LEU 79 3.922 -3.208 -1.301 587 HD12 LEU 79 2HD1 LEU 79 2.234 -2.908 -1.701 588 HD13 LEU 79 3HD1 LEU 79 3.510 -2.052 -2.568 589 HD21 LEU 79 3HD2 LEU 79 1.144 -4.216 -3.269 590 HD22 LEU 79 1HD2 LEU 79 1.981 -4.982 -4.618 591 HD23 LEU 79 2HD2 LEU 79 1.894 -3.223 -4.518 592 H GLY 80 H GLY 80 6.601 -6.068 -3.985 593 HA2 GLY 80 1HA GLY 80 5.750 -7.516 -1.627 594 HA3 GLY 80 2HA GLY 80 6.814 -8.139 -2.889 595 H TYR 81 H TYR 81 8.226 -5.339 -2.066 596 HA TYR 81 HA TYR 81 10.425 -6.540 -0.693 597 HB2 TYR 81 1HB TYR 81 10.495 -4.378 -1.984 598 HB3 TYR 81 2HB TYR 81 9.625 -3.619 -0.650 599 HD1 TYR 81 HD1 TYR 81 10.670 -3.487 1.619 600 HD2 TYR 81 HD2 TYR 81 12.821 -4.918 -1.810 601 HE1 TYR 81 HE1 TYR 81 12.810 -3.185 2.835 602 HE2 TYR 81 HE2 TYR 81 14.961 -4.618 -0.596 603 HH TYR 81 HH TYR 81 15.348 -2.779 2.019 604 H TYR 82 H TYR 82 7.694 -4.586 0.493 605 HA TYR 82 HA TYR 82 8.455 -5.268 3.310 606 HB2 TYR 82 1HB TYR 82 6.507 -3.203 2.240 607 HB3 TYR 82 2HB TYR 82 6.929 -3.436 3.936 608 HD1 TYR 82 HD2 TYR 82 9.335 -3.098 4.662 609 HD2 TYR 82 HD1 TYR 82 7.891 -1.920 0.792 610 HE1 TYR 82 HE2 TYR 82 11.307 -1.622 4.376 611 HE2 TYR 82 HE1 TYR 82 9.864 -0.444 0.505 612 HH TYR 82 HH TYR 82 11.880 0.442 3.038 613 H ALA 83 H ALA 83 5.988 -5.651 0.855 614 HA ALA 83 HA ALA 83 4.191 -7.026 2.807 615 HB1 ALA 83 3HB ALA 83 3.285 -5.248 1.249 616 HB2 ALA 83 1HB ALA 83 2.463 -6.805 1.149 617 HB3 ALA 83 2HB ALA 83 3.632 -6.344 -0.089 618 H ASN 84 H ASN 84 5.684 -8.860 2.924 619 HA ASN 84 HA ASN 84 5.785 -10.569 0.476 620 HB2 ASN 84 1HB ASN 84 7.532 -11.809 1.630 621 HB3 ASN 84 2HB ASN 84 7.911 -10.090 1.734 622 HD21 ASN 84 2HD2 ASN 84 9.090 -11.669 3.651 623 HD22 ASN 84 1HD2 ASN 84 8.334 -11.462 5.157 624 H SER 85 H SER 85 3.593 -10.033 2.720 625 HA SER 85 HA SER 85 2.728 -12.874 2.798 626 HB2 SER 85 1HB SER 85 3.965 -12.456 4.926 627 HB3 SER 85 2HB SER 85 2.852 -11.140 5.284 628 HG SER 85 HG SER 85 1.441 -12.565 5.898 629 H ASP 86 H ASP 86 0.473 -13.109 2.954 630 HA ASP 86 HA ASP 86 -1.066 -10.752 2.143 631 HB2 ASP 86 1HB ASP 86 -2.925 -12.333 1.886 632 HB3 ASP 86 2HB ASP 86 -1.473 -12.962 1.108 633 H GLY 87 H GLY 87 -3.231 -10.362 3.209 634 HA2 GLY 87 1HA GLY 87 -4.614 -10.200 5.154 635 HA3 GLY 87 2HA GLY 87 -3.358 -11.005 6.094 636 H LEU 88 H LEU 88 -1.714 -8.787 4.362 637 HA LEU 88 HA LEU 88 -1.373 -7.019 6.644 638 HB2 LEU 88 1HB LEU 88 -0.366 -6.735 3.800 639 HB3 LEU 88 2HB LEU 88 0.214 -5.826 5.196 640 HG LEU 88 HG LEU 88 0.328 -8.846 4.927 641 HD11 LEU 88 1HD1 LEU 88 2.489 -6.738 4.627 642 HD12 LEU 88 2HD1 LEU 88 1.858 -7.775 3.349 643 HD13 LEU 88 3HD1 LEU 88 2.778 -8.476 4.680 644 HD21 LEU 88 3HD2 LEU 88 2.043 -8.389 6.882 645 HD22 LEU 88 1HD2 LEU 88 0.320 -8.439 7.239 646 HD23 LEU 88 2HD2 LEU 88 1.141 -6.886 7.073 647 H ARG 89 H ARG 89 -1.856 -4.776 6.733 648 HA ARG 89 HA ARG 89 -4.040 -3.892 4.865 649 HB2 ARG 89 1HB ARG 89 -4.838 -4.381 7.169 650 HB3 ARG 89 2HB ARG 89 -3.689 -3.199 7.795 651 HG2 ARG 89 1HG ARG 89 -4.771 -1.421 6.501 652 HG3 ARG 89 2HG ARG 89 -5.886 -2.591 5.794 653 HD2 ARG 89 1HD ARG 89 -6.982 -1.430 7.640 654 HD3 ARG 89 2HD ARG 89 -6.728 -3.118 8.077 655 HE ARG 89 HE ARG 89 -4.496 -1.561 8.972 656 HH11 ARG 89 1HH2 ARG 89 -7.852 -2.125 9.562 657 HH12 ARG 89 2HH2 ARG 89 -7.743 -1.775 11.255 658 HH21 ARG 89 1HH1 ARG 89 -4.347 -1.108 11.175 659 HH22 ARG 89 2HH1 ARG 89 -5.763 -1.201 12.167 660 H LEU 90 H LEU 90 -3.672 -2.023 3.830 661 HA LEU 90 HA LEU 90 -1.306 -0.379 4.639 662 HB2 LEU 90 1HB LEU 90 -2.760 -0.495 1.979 663 HB3 LEU 90 2HB LEU 90 -1.275 0.396 2.318 664 HG LEU 90 HG LEU 90 -1.597 -2.614 2.519 665 HD11 LEU 90 1HD1 LEU 90 0.037 -2.537 0.568 666 HD12 LEU 90 2HD1 LEU 90 -0.325 -0.816 0.443 667 HD13 LEU 90 3HD1 LEU 90 -1.605 -2.005 0.202 668 HD21 LEU 90 3HD2 LEU 90 0.101 -2.101 4.054 669 HD22 LEU 90 1HD2 LEU 90 0.655 -0.701 3.133 670 HD23 LEU 90 2HD2 LEU 90 1.025 -2.333 2.575 671 H HIS 91 H HIS 91 -1.634 1.664 5.304 672 HA HIS 91 HA HIS 91 -4.416 2.770 5.140 673 HB2 HIS 91 1HB HIS 91 -3.511 2.339 7.423 674 HB3 HIS 91 2HB HIS 91 -2.197 3.466 7.082 675 HD1 HIS 91 HD1 HIS 91 -6.010 3.510 6.848 676 HD2 HIS 91 HD2 HIS 91 -2.848 6.021 7.881 677 HE1 HIS 91 HE1 HIS 91 -7.048 5.696 7.593 678 H VAL 92 H VAL 92 -4.624 4.346 3.682 679 HA VAL 92 HA VAL 92 -2.251 5.812 2.704 680 HB VAL 92 HB VAL 92 -5.141 6.029 1.822 681 HG11 VAL 92 1HG1 VAL 92 -3.644 7.892 1.160 682 HG12 VAL 92 2HG1 VAL 92 -4.134 6.931 -0.234 683 HG13 VAL 92 3HG1 VAL 92 -2.523 6.728 0.455 684 HG21 VAL 92 3HG2 VAL 92 -4.382 3.719 1.584 685 HG22 VAL 92 1HG2 VAL 92 -2.885 4.260 0.827 686 HG23 VAL 92 2HG2 VAL 92 -4.423 4.479 -0.007 687 H VAL 93 H VAL 93 -1.779 7.846 3.341 688 HA VAL 93 HA VAL 93 -3.862 9.404 4.844 689 HB VAL 93 HB VAL 93 -0.861 9.392 5.267 690 HG11 VAL 93 1HG1 VAL 93 -1.467 10.767 7.264 691 HG12 VAL 93 2HG1 VAL 93 -3.132 10.813 6.685 692 HG13 VAL 93 3HG1 VAL 93 -1.849 11.571 5.742 693 HG21 VAL 93 3HG2 VAL 93 -3.041 8.404 7.121 694 HG22 VAL 93 1HG2 VAL 93 -1.300 8.185 7.294 695 HG23 VAL 93 2HG2 VAL 93 -2.174 7.336 6.018 696 H ASP 94 H ASP 94 -4.548 10.794 3.286 697 HA ASP 94 HA ASP 94 -2.518 12.224 1.627 698 HB2 ASP 94 1HB ASP 94 -4.475 12.920 0.262 699 HB3 ASP 94 2HB ASP 94 -4.321 11.167 0.365 700 H SER 95 H SER 95 -1.845 14.063 2.579 701 HA SER 95 HA SER 95 -3.600 16.239 3.137 702 HB2 SER 95 1HB SER 95 -3.166 16.324 5.656 703 HB3 SER 95 2HB SER 95 -4.327 15.112 5.125 704 HG SER 95 HG SER 95 -1.806 14.147 5.043 Start of MODEL 11 1 H1 MET 1 1H MET 1 -11.257 -6.122 -21.386 2 H2 MET 1 2H MET 1 -9.566 -6.275 -21.379 3 H3 MET 1 3H MET 1 -10.509 -7.302 -22.349 4 HA MET 1 HA MET 1 -11.292 -5.271 -23.571 5 HB2 MET 1 1HB MET 1 -9.002 -4.116 -21.955 6 HB3 MET 1 2HB MET 1 -9.703 -3.328 -23.368 7 HG2 MET 1 1HG MET 1 -11.903 -3.282 -22.263 8 HG3 MET 1 2HG MET 1 -11.216 -4.087 -20.851 9 HE1 MET 1 3HE MET 1 -11.848 -0.555 -19.508 10 HE2 MET 1 1HE MET 1 -11.678 -2.237 -18.990 11 HE3 MET 1 2HE MET 1 -12.765 -1.826 -20.313 12 H GLY 2 H GLY 2 -7.979 -4.476 -23.511 13 HA2 GLY 2 1HA GLY 2 -7.480 -5.624 -26.092 14 HA3 GLY 2 2HA GLY 2 -6.252 -4.940 -25.027 15 H HIS 3 H HIS 3 -6.684 -6.675 -22.788 16 HA HIS 3 HA HIS 3 -6.356 -9.428 -23.783 17 HB2 HIS 3 1HB HIS 3 -4.124 -9.681 -22.691 18 HB3 HIS 3 2HB HIS 3 -4.087 -8.573 -24.062 19 HD1 HIS 3 HD1 HIS 3 -4.146 -5.958 -23.443 20 HD2 HIS 3 HD2 HIS 3 -3.368 -8.536 -20.261 21 HE1 HIS 3 HE1 HIS 3 -3.180 -4.532 -21.586 22 H HIS 4 H HIS 4 -6.619 -10.967 -22.133 23 HA HIS 4 HA HIS 4 -7.171 -9.937 -19.376 24 HB2 HIS 4 1HB HIS 4 -9.306 -10.241 -20.658 25 HB3 HIS 4 2HB HIS 4 -8.884 -11.937 -20.888 26 HD1 HIS 4 HD1 HIS 4 -9.235 -9.508 -17.958 27 HD2 HIS 4 HD2 HIS 4 -9.869 -13.526 -18.870 28 HE1 HIS 4 HE1 HIS 4 -10.255 -10.560 -15.892 29 H HIS 5 H HIS 5 -6.427 -12.675 -21.494 30 HA HIS 5 HA HIS 5 -5.440 -14.748 -21.031 31 HB2 HIS 5 1HB HIS 5 -3.892 -12.921 -19.171 32 HB3 HIS 5 2HB HIS 5 -3.405 -14.567 -19.583 33 HD1 HIS 5 HD1 HIS 5 -3.199 -14.988 -22.313 34 HD2 HIS 5 HD2 HIS 5 -2.960 -11.044 -20.979 35 HE1 HIS 5 HE1 HIS 5 -2.136 -13.660 -24.190 36 H HIS 6 H HIS 6 -7.213 -15.838 -20.092 37 HA HIS 6 HA HIS 6 -7.989 -15.595 -17.341 38 HB2 HIS 6 1HB HIS 6 -9.407 -16.619 -19.121 39 HB3 HIS 6 2HB HIS 6 -8.287 -17.979 -19.194 40 HD1 HIS 6 HD1 HIS 6 -9.873 -16.162 -16.234 41 HD2 HIS 6 HD2 HIS 6 -9.474 -20.020 -17.763 42 HE1 HIS 6 HE1 HIS 6 -10.981 -17.711 -14.566 43 H HIS 7 H HIS 7 -5.901 -17.974 -19.021 44 HA HIS 7 HA HIS 7 -4.346 -18.310 -16.543 45 HB2 HIS 7 1HB HIS 7 -6.121 -20.463 -17.694 46 HB3 HIS 7 2HB HIS 7 -4.641 -20.902 -16.840 47 HD1 HIS 7 HD1 HIS 7 -7.869 -18.981 -16.291 48 HD2 HIS 7 HD2 HIS 7 -4.814 -20.728 -14.061 49 HE1 HIS 7 HE1 HIS 7 -8.588 -18.845 -13.867 50 H HIS 8 H HIS 8 -2.268 -18.877 -16.964 51 HA HIS 8 HA HIS 8 -1.501 -20.096 -19.525 52 HB2 HIS 8 1HB HIS 8 -0.836 -17.238 -18.786 53 HB3 HIS 8 2HB HIS 8 0.203 -18.170 -19.866 54 HD1 HIS 8 HD1 HIS 8 -3.427 -17.051 -19.584 55 HD2 HIS 8 HD2 HIS 8 -0.701 -18.277 -22.489 56 HE1 HIS 8 HE1 HIS 8 -4.585 -16.770 -21.820 57 H SER 9 H SER 9 -1.146 -19.627 -16.251 58 HA SER 9 HA SER 9 1.350 -21.200 -16.242 59 HB2 SER 9 1HB SER 9 2.480 -19.653 -14.670 60 HB3 SER 9 2HB SER 9 2.195 -18.895 -16.233 61 HG SER 9 HG SER 9 0.045 -18.472 -14.785 62 H HIS 10 H HIS 10 1.338 -22.625 -14.558 63 HA HIS 10 HA HIS 10 -0.863 -22.348 -12.543 64 HB2 HIS 10 1HB HIS 10 -0.475 -24.828 -12.228 65 HB3 HIS 10 2HB HIS 10 -1.095 -24.368 -13.812 66 HD1 HIS 10 HD1 HIS 10 2.328 -23.347 -13.762 67 HD2 HIS 10 HD2 HIS 10 0.402 -27.005 -14.305 68 HE1 HIS 10 HE1 HIS 10 3.998 -24.877 -14.898 69 H GLY 11 H GLY 11 -0.266 -21.835 -10.530 70 HA2 GLY 11 1HA GLY 11 0.969 -21.852 -8.529 71 HA3 GLY 11 2HA GLY 11 2.073 -23.007 -9.268 72 H LYS 12 H LYS 12 3.534 -21.474 -7.945 73 HA LYS 12 HA LYS 12 5.113 -19.745 -7.863 74 HB2 LYS 12 1HB LYS 12 5.018 -20.398 -10.817 75 HB3 LYS 12 2HB LYS 12 6.224 -19.331 -10.095 76 HG2 LYS 12 1HG LYS 12 6.973 -21.129 -8.610 77 HG3 LYS 12 2HG LYS 12 5.719 -22.195 -9.236 78 HD2 LYS 12 1HD LYS 12 7.646 -22.838 -10.439 79 HD3 LYS 12 2HD LYS 12 6.784 -21.784 -11.558 80 HE2 LYS 12 1HE LYS 12 8.242 -19.930 -11.055 81 HE3 LYS 12 2HE LYS 12 8.982 -20.802 -9.713 82 HZ1 LYS 12 3HZ LYS 12 9.399 -21.098 -12.581 83 HZ2 LYS 12 1HZ LYS 12 9.438 -22.518 -11.654 84 HZ3 LYS 12 2HZ LYS 12 10.504 -21.244 -11.299 85 H SER 13 H SER 13 2.274 -18.914 -8.135 86 HA SER 13 HA SER 13 2.190 -16.647 -9.944 87 HB2 SER 13 1HB SER 13 0.037 -16.259 -9.090 88 HB3 SER 13 2HB SER 13 0.223 -18.001 -8.904 89 HG SER 13 HG SER 13 -0.145 -17.621 -6.874 90 H ASP 14 H ASP 14 1.892 -14.384 -9.150 91 HA ASP 14 HA ASP 14 3.412 -13.793 -6.635 92 HB2 ASP 14 1HB ASP 14 3.776 -12.588 -9.390 93 HB3 ASP 14 2HB ASP 14 4.371 -11.809 -7.922 94 H PHE 15 H PHE 15 0.796 -13.815 -6.375 95 HA PHE 15 HA PHE 15 -0.022 -10.932 -6.487 96 HB2 PHE 15 1HB PHE 15 -1.728 -13.372 -7.083 97 HB3 PHE 15 2HB PHE 15 -2.370 -11.745 -6.852 98 HD1 PHE 15 HD2 PHE 15 -1.762 -9.918 -8.427 99 HD2 PHE 15 HD1 PHE 15 -0.585 -13.992 -9.108 100 HE1 PHE 15 HE2 PHE 15 -1.251 -9.374 -10.791 101 HE2 PHE 15 HE1 PHE 15 -0.073 -13.450 -11.472 102 HZ PHE 15 HZ PHE 15 -0.406 -11.141 -12.314 103 H ILE 16 H ILE 16 -1.149 -10.219 -4.650 104 HA ILE 16 HA ILE 16 -1.524 -12.204 -2.436 105 HB ILE 16 HB ILE 16 -0.630 -10.523 -0.856 106 HG12 ILE 16 1HG1 ILE 16 0.171 -9.007 -3.364 107 HG13 ILE 16 2HG1 ILE 16 -1.117 -8.515 -2.265 108 HG21 ILE 16 1HG2 ILE 16 1.672 -10.930 -1.328 109 HG22 ILE 16 2HG2 ILE 16 1.371 -11.029 -3.063 110 HG23 ILE 16 3HG2 ILE 16 0.792 -12.306 -1.994 111 HD11 ILE 16 3HD1 ILE 16 1.825 -8.787 -1.599 112 HD12 ILE 16 1HD1 ILE 16 0.566 -8.485 -0.401 113 HD13 ILE 16 2HD1 ILE 16 0.886 -7.295 -1.665 114 H LYS 17 H LYS 17 -3.020 -11.437 -0.767 115 HA LYS 17 HA LYS 17 -5.032 -9.479 -1.853 116 HB2 LYS 17 1HB LYS 17 -5.624 -12.020 -1.582 117 HB3 LYS 17 2HB LYS 17 -5.674 -11.660 0.142 118 HG2 LYS 17 1HG LYS 17 -7.891 -11.238 -0.450 119 HG3 LYS 17 2HG LYS 17 -7.187 -9.633 -0.616 120 HD2 LYS 17 1HD LYS 17 -8.297 -9.815 -2.660 121 HD3 LYS 17 2HD LYS 17 -6.714 -10.437 -3.112 122 HE2 LYS 17 1HE LYS 17 -7.508 -12.743 -2.751 123 HE3 LYS 17 2HE LYS 17 -9.091 -12.125 -2.280 124 HZ1 LYS 17 3HZ LYS 17 -8.206 -11.051 -4.773 125 HZ2 LYS 17 1HZ LYS 17 -9.662 -11.834 -4.392 126 HZ3 LYS 17 2HZ LYS 17 -8.293 -12.747 -4.813 127 H VAL 18 H VAL 18 -5.102 -7.658 -0.690 128 HA VAL 18 HA VAL 18 -4.757 -7.797 2.265 129 HB VAL 18 HB VAL 18 -3.304 -5.766 2.170 130 HG11 VAL 18 1HG1 VAL 18 -2.377 -8.065 2.396 131 HG12 VAL 18 2HG1 VAL 18 -1.277 -6.982 1.544 132 HG13 VAL 18 3HG1 VAL 18 -2.233 -8.155 0.640 133 HG21 VAL 18 3HG2 VAL 18 -3.437 -6.371 -0.797 134 HG22 VAL 18 1HG2 VAL 18 -2.163 -5.388 -0.078 135 HG23 VAL 18 2HG2 VAL 18 -3.842 -4.861 0.014 136 H ASN 19 H ASN 19 -5.410 -5.669 3.272 137 HA ASN 19 HA ASN 19 -7.855 -4.668 1.888 138 HB2 ASN 19 1HB ASN 19 -6.896 -4.608 4.757 139 HB3 ASN 19 2HB ASN 19 -8.300 -3.690 4.208 140 HD21 ASN 19 2HD2 ASN 19 -8.591 -5.811 6.110 141 HD22 ASN 19 1HD2 ASN 19 -9.442 -7.081 5.373 142 H VAL 20 H VAL 20 -8.103 -2.486 1.388 143 HA VAL 20 HA VAL 20 -5.754 -0.688 1.950 144 HB VAL 20 HB VAL 20 -7.470 -0.922 -0.534 145 HG11 VAL 20 1HG1 VAL 20 -7.203 1.420 -0.229 146 HG12 VAL 20 2HG1 VAL 20 -5.907 0.965 -1.335 147 HG13 VAL 20 3HG1 VAL 20 -5.557 1.234 0.373 148 HG21 VAL 20 3HG2 VAL 20 -4.465 -1.070 -0.169 149 HG22 VAL 20 1HG2 VAL 20 -5.380 -1.443 -1.631 150 HG23 VAL 20 2HG2 VAL 20 -5.514 -2.488 -0.217 151 H SER 21 H SER 21 -6.257 1.220 2.907 152 HA SER 21 HA SER 21 -8.984 2.341 2.667 153 HB2 SER 21 1HB SER 21 -9.188 0.860 4.609 154 HB3 SER 21 2HB SER 21 -7.749 1.575 5.330 155 HG SER 21 HG SER 21 -8.829 3.463 5.614 156 H ASN 22 H ASN 22 -8.990 4.461 4.141 157 HA ASN 22 HA ASN 22 -6.313 5.733 4.238 158 HB2 ASN 22 1HB ASN 22 -7.249 7.732 2.981 159 HB3 ASN 22 2HB ASN 22 -6.963 6.299 1.995 160 HD21 ASN 22 2HD2 ASN 22 -8.737 7.840 0.778 161 HD22 ASN 22 1HD2 ASN 22 -10.343 7.351 1.032 162 H SER 23 H SER 23 -6.496 7.953 5.242 163 HA SER 23 HA SER 23 -7.953 7.840 7.700 164 HB2 SER 23 1HB SER 23 -5.889 9.159 7.397 165 HB3 SER 23 2HB SER 23 -6.737 10.233 6.287 166 HG SER 23 HG SER 23 -7.265 11.277 8.026 167 H HIS 24 H HIS 24 -8.589 9.596 4.664 168 HA HIS 24 HA HIS 24 -10.944 10.945 5.646 169 HB2 HIS 24 1HB HIS 24 -10.021 10.261 2.837 170 HB3 HIS 24 2HB HIS 24 -11.413 11.283 3.192 171 HD1 HIS 24 HD1 HIS 24 -8.214 11.825 2.105 172 HD2 HIS 24 HD2 HIS 24 -10.214 13.252 5.473 173 HE1 HIS 24 HE1 HIS 24 -6.992 13.922 2.829 174 H ASN 25 H ASN 25 -10.288 7.727 4.910 175 HA ASN 25 HA ASN 25 -11.641 5.835 4.593 176 HB2 ASN 25 1HB ASN 25 -12.441 6.705 6.816 177 HB3 ASN 25 2HB ASN 25 -13.719 7.554 5.944 178 HD21 ASN 25 2HD2 ASN 25 -13.481 4.992 4.015 179 HD22 ASN 25 1HD2 ASN 25 -14.512 3.890 4.793 180 H ASP 26 H ASP 26 -14.732 6.899 4.601 181 HA ASP 26 HA ASP 26 -16.372 7.108 2.954 182 HB2 ASP 26 1HB ASP 26 -14.110 8.664 1.672 183 HB3 ASP 26 2HB ASP 26 -15.719 8.548 0.963 184 H ALA 27 H ALA 27 -13.419 6.765 0.992 185 HA ALA 27 HA ALA 27 -14.753 4.572 -0.522 186 HB1 ALA 27 3HB ALA 27 -12.154 6.037 -1.053 187 HB2 ALA 27 1HB ALA 27 -13.709 6.430 -1.786 188 HB3 ALA 27 2HB ALA 27 -12.935 4.884 -2.135 189 H VAL 28 H VAL 28 -14.335 2.530 0.138 190 HA VAL 28 HA VAL 28 -11.592 1.885 1.175 191 HB VAL 28 HB VAL 28 -14.272 0.925 2.219 192 HG11 VAL 28 1HG1 VAL 28 -12.878 -1.015 2.180 193 HG12 VAL 28 2HG1 VAL 28 -12.755 -0.385 3.823 194 HG13 VAL 28 3HG1 VAL 28 -11.457 -0.091 2.666 195 HG21 VAL 28 3HG2 VAL 28 -11.938 2.268 3.613 196 HG22 VAL 28 1HG2 VAL 28 -13.525 1.922 4.301 197 HG23 VAL 28 2HG2 VAL 28 -13.359 3.130 3.026 198 H ALA 29 H ALA 29 -10.667 0.164 0.174 199 HA ALA 29 HA ALA 29 -12.356 -1.377 -1.774 200 HB1 ALA 29 3HB ALA 29 -10.031 -1.902 -2.764 201 HB2 ALA 29 1HB ALA 29 -9.442 -0.595 -1.736 202 HB3 ALA 29 2HB ALA 29 -10.651 -0.264 -2.975 203 H PHE 30 H PHE 30 -12.638 -3.495 -1.387 204 HA PHE 30 HA PHE 30 -10.981 -4.802 0.745 205 HB2 PHE 30 1HB PHE 30 -13.815 -5.265 -0.207 206 HB3 PHE 30 2HB PHE 30 -12.961 -6.400 0.839 207 HD1 PHE 30 HD1 PHE 30 -11.899 -5.442 3.005 208 HD2 PHE 30 HD2 PHE 30 -14.933 -3.416 0.736 209 HE1 PHE 30 HE1 PHE 30 -12.467 -4.069 4.990 210 HE2 PHE 30 HE2 PHE 30 -15.500 -2.042 2.720 211 HZ PHE 30 HZ PHE 30 -14.267 -2.369 4.848 212 H GLU 31 H GLU 31 -10.174 -6.871 0.374 213 HA GLU 31 HA GLU 31 -9.196 -8.557 -0.892 214 HB2 GLU 31 1HB GLU 31 -11.836 -8.261 -2.343 215 HB3 GLU 31 2HB GLU 31 -10.689 -9.565 -2.651 216 HG2 GLU 31 1HG GLU 31 -10.821 -10.282 -0.319 217 HG3 GLU 31 2HG GLU 31 -11.894 -8.934 0.059 218 H VAL 32 H VAL 32 -7.835 -6.424 -1.526 219 HA VAL 32 HA VAL 32 -8.086 -5.760 -4.376 220 HB VAL 32 HB VAL 32 -6.521 -4.080 -3.946 221 HG11 VAL 32 1HG1 VAL 32 -8.607 -3.830 -2.611 222 HG12 VAL 32 2HG1 VAL 32 -7.220 -3.013 -1.889 223 HG13 VAL 32 3HG1 VAL 32 -7.766 -4.559 -1.240 224 HG21 VAL 32 3HG2 VAL 32 -5.536 -5.831 -1.691 225 HG22 VAL 32 1HG2 VAL 32 -5.072 -4.135 -1.828 226 HG23 VAL 32 2HG2 VAL 32 -4.637 -5.274 -3.102 227 H LYS 33 H LYS 33 -6.952 -6.780 -5.973 228 HA LYS 33 HA LYS 33 -4.844 -8.753 -5.162 229 HB2 LYS 33 1HB LYS 33 -6.837 -9.624 -6.398 230 HB3 LYS 33 2HB LYS 33 -6.418 -8.570 -7.749 231 HG2 LYS 33 1HG LYS 33 -4.268 -9.685 -8.011 232 HG3 LYS 33 2HG LYS 33 -4.578 -10.680 -6.587 233 HD2 LYS 33 1HD LYS 33 -6.542 -11.673 -7.709 234 HD3 LYS 33 2HD LYS 33 -6.215 -10.693 -9.139 235 HE2 LYS 33 1HE LYS 33 -4.022 -11.765 -9.396 236 HE3 LYS 33 2HE LYS 33 -4.307 -12.722 -7.943 237 HZ1 LYS 33 3HZ LYS 33 -5.714 -12.874 -10.540 238 HZ2 LYS 33 1HZ LYS 33 -6.378 -13.533 -9.126 239 HZ3 LYS 33 2HZ LYS 33 -4.891 -14.107 -9.711 240 H LEU 34 H LEU 34 -2.908 -7.681 -5.266 241 HA LEU 34 HA LEU 34 -2.266 -6.196 -7.798 242 HB2 LEU 34 1HB LEU 34 -1.349 -5.532 -4.980 243 HB3 LEU 34 2HB LEU 34 -0.867 -4.681 -6.448 244 HG LEU 34 HG LEU 34 -3.722 -4.929 -5.451 245 HD11 LEU 34 1HD1 LEU 34 -1.767 -2.611 -5.341 246 HD12 LEU 34 2HD1 LEU 34 -2.371 -3.528 -3.961 247 HD13 LEU 34 3HD1 LEU 34 -3.472 -2.519 -4.900 248 HD21 LEU 34 3HD2 LEU 34 -3.899 -4.583 -7.773 249 HD22 LEU 34 1HD2 LEU 34 -2.425 -3.615 -7.842 250 HD23 LEU 34 2HD2 LEU 34 -3.902 -2.933 -7.161 251 H ALA 35 H ALA 35 -0.240 -6.586 -8.645 252 HA ALA 35 HA ALA 35 1.016 -9.078 -7.859 253 HB1 ALA 35 3HB ALA 35 1.052 -8.638 -10.176 254 HB2 ALA 35 1HB ALA 35 2.710 -8.319 -9.666 255 HB3 ALA 35 2HB ALA 35 1.597 -6.979 -9.943 256 H LYS 36 H LYS 36 3.015 -9.374 -6.884 257 HA LYS 36 HA LYS 36 3.938 -7.309 -5.074 258 HB2 LYS 36 1HB LYS 36 5.056 -10.004 -5.870 259 HB3 LYS 36 2HB LYS 36 5.725 -9.010 -4.578 260 HG2 LYS 36 1HG LYS 36 3.523 -9.040 -3.433 261 HG3 LYS 36 2HG LYS 36 2.890 -10.082 -4.705 262 HD2 LYS 36 1HD LYS 36 5.339 -10.838 -3.109 263 HD3 LYS 36 2HD LYS 36 3.717 -11.227 -2.546 264 HE2 LYS 36 1HE LYS 36 3.326 -12.369 -4.780 265 HE3 LYS 36 2HE LYS 36 5.045 -12.160 -5.106 266 HZ1 LYS 36 3HZ LYS 36 5.180 -14.143 -4.093 267 HZ2 LYS 36 1HZ LYS 36 3.719 -13.952 -3.251 268 HZ3 LYS 36 2HZ LYS 36 5.135 -13.214 -2.671 269 H ASP 37 H ASP 37 4.570 -8.027 -8.351 270 HA ASP 37 HA ASP 37 7.334 -7.060 -8.367 271 HB2 ASP 37 1HB ASP 37 7.234 -7.369 -10.762 272 HB3 ASP 37 2HB ASP 37 6.419 -8.742 -10.014 273 H LEU 38 H LEU 38 4.443 -5.513 -7.951 274 HA LEU 38 HA LEU 38 4.903 -3.214 -9.688 275 HB2 LEU 38 1HB LEU 38 3.017 -3.688 -7.371 276 HB3 LEU 38 2HB LEU 38 3.053 -2.189 -8.298 277 HG LEU 38 HG LEU 38 2.644 -4.929 -9.530 278 HD11 LEU 38 1HD1 LEU 38 0.241 -4.058 -9.776 279 HD12 LEU 38 2HD1 LEU 38 0.671 -2.858 -8.556 280 HD13 LEU 38 3HD1 LEU 38 0.736 -4.576 -8.163 281 HD21 LEU 38 3HD2 LEU 38 1.593 -3.271 -11.334 282 HD22 LEU 38 1HD2 LEU 38 3.326 -3.575 -11.306 283 HD23 LEU 38 2HD2 LEU 38 2.678 -2.104 -10.582 284 H THR 39 H THR 39 5.785 -1.235 -9.117 285 HA THR 39 HA THR 39 7.544 -1.259 -6.765 286 HB THR 39 HB THR 39 8.343 0.906 -7.667 287 HG1 THR 39 HG1 THR 39 6.980 0.697 -10.006 288 HG21 THR 39 3HG2 THR 39 8.071 -1.387 -9.623 289 HG22 THR 39 1HG2 THR 39 9.404 -1.086 -8.509 290 HG23 THR 39 2HG2 THR 39 9.141 -0.009 -9.880 291 H VAL 40 H VAL 40 7.609 0.707 -5.354 292 HA VAL 40 HA VAL 40 5.077 1.161 -4.092 293 HB VAL 40 HB VAL 40 7.745 2.578 -3.873 294 HG11 VAL 40 1HG1 VAL 40 5.174 2.920 -2.323 295 HG12 VAL 40 2HG1 VAL 40 6.158 4.163 -3.097 296 HG13 VAL 40 3HG1 VAL 40 6.743 3.356 -1.642 297 HG21 VAL 40 3HG2 VAL 40 7.938 1.278 -1.797 298 HG22 VAL 40 1HG2 VAL 40 7.689 0.200 -3.171 299 HG23 VAL 40 2HG2 VAL 40 6.351 0.565 -2.081 300 H ALA 41 H ALA 41 7.071 3.174 -6.259 301 HA ALA 41 HA ALA 41 5.441 5.506 -6.185 302 HB1 ALA 41 3HB ALA 41 7.740 5.334 -7.188 303 HB2 ALA 41 1HB ALA 41 6.572 6.144 -8.234 304 HB3 ALA 41 2HB ALA 41 7.028 4.470 -8.550 305 H GLN 42 H GLN 42 5.308 2.635 -8.284 306 HA GLN 42 HA GLN 42 3.137 3.584 -9.918 307 HB2 GLN 42 1HB GLN 42 4.156 0.805 -9.279 308 HB3 GLN 42 2HB GLN 42 2.848 1.107 -10.423 309 HG2 GLN 42 1HG GLN 42 4.318 2.513 -11.783 310 HG3 GLN 42 2HG GLN 42 5.624 2.318 -10.614 311 HE21 GLN 42 2HE2 GLN 42 6.527 1.456 -12.913 312 HE22 GLN 42 1HE2 GLN 42 6.402 -0.223 -13.126 313 H LEU 43 H LEU 43 3.319 1.793 -6.879 314 HA LEU 43 HA LEU 43 0.558 1.089 -6.699 315 HB2 LEU 43 1HB LEU 43 2.279 0.111 -5.226 316 HB3 LEU 43 2HB LEU 43 2.554 1.687 -4.487 317 HG LEU 43 HG LEU 43 0.244 1.722 -3.645 318 HD11 LEU 43 1HD1 LEU 43 -1.086 0.543 -5.163 319 HD12 LEU 43 2HD1 LEU 43 -0.966 -0.612 -3.839 320 HD13 LEU 43 3HD1 LEU 43 0.045 -0.806 -5.273 321 HD21 LEU 43 3HD2 LEU 43 0.531 0.116 -1.914 322 HD22 LEU 43 1HD2 LEU 43 2.167 0.540 -2.419 323 HD23 LEU 43 2HD2 LEU 43 1.437 -0.970 -2.965 324 H LYS 44 H LYS 44 2.361 3.949 -5.612 325 HA LYS 44 HA LYS 44 0.180 5.263 -4.318 326 HB2 LYS 44 1HB LYS 44 2.696 6.315 -5.630 327 HB3 LYS 44 2HB LYS 44 1.563 7.351 -4.762 328 HG2 LYS 44 1HG LYS 44 1.853 5.963 -2.734 329 HG3 LYS 44 2HG LYS 44 3.001 4.944 -3.603 330 HD2 LYS 44 1HD LYS 44 4.506 6.837 -3.920 331 HD3 LYS 44 2HD LYS 44 3.340 7.927 -3.171 332 HE2 LYS 44 1HE LYS 44 3.490 6.389 -1.109 333 HE3 LYS 44 2HE LYS 44 4.928 5.712 -1.869 334 HZ1 LYS 44 3HZ LYS 44 4.739 8.039 -0.373 335 HZ2 LYS 44 1HZ LYS 44 5.027 8.527 -1.972 336 HZ3 LYS 44 2HZ LYS 44 6.098 7.452 -1.209 337 H THR 45 H THR 45 1.301 5.256 -7.675 338 HA THR 45 HA THR 45 -0.369 7.334 -8.667 339 HB THR 45 HB THR 45 0.583 4.796 -10.034 340 HG1 THR 45 HG1 THR 45 2.278 6.078 -10.689 341 HG21 THR 45 3HG2 THR 45 -0.645 7.349 -11.074 342 HG22 THR 45 1HG2 THR 45 -1.144 5.687 -11.391 343 HG23 THR 45 2HG2 THR 45 0.351 6.308 -12.091 344 H LYS 46 H LYS 46 -0.940 3.820 -8.405 345 HA LYS 46 HA LYS 46 -3.581 3.853 -9.510 346 HB2 LYS 46 1HB LYS 46 -2.251 1.976 -7.534 347 HB3 LYS 46 2HB LYS 46 -3.822 1.669 -8.272 348 HG2 LYS 46 1HG LYS 46 -2.794 1.757 -10.514 349 HG3 LYS 46 2HG LYS 46 -1.221 2.078 -9.781 350 HD2 LYS 46 1HD LYS 46 -1.356 -0.085 -8.575 351 HD3 LYS 46 2HD LYS 46 -2.901 -0.412 -9.360 352 HE2 LYS 46 1HE LYS 46 -0.315 0.098 -10.854 353 HE3 LYS 46 2HE LYS 46 -0.952 -1.508 -10.502 354 HZ1 LYS 46 3HZ LYS 46 -2.319 -1.344 -12.218 355 HZ2 LYS 46 1HZ LYS 46 -1.612 0.142 -12.630 356 HZ3 LYS 46 2HZ LYS 46 -2.979 0.103 -11.621 357 H LEU 47 H LEU 47 -2.386 4.099 -6.168 358 HA LEU 47 HA LEU 47 -4.964 4.234 -4.922 359 HB2 LEU 47 1HB LEU 47 -2.265 5.301 -4.050 360 HB3 LEU 47 2HB LEU 47 -3.691 5.272 -3.016 361 HG LEU 47 HG LEU 47 -2.511 2.812 -4.343 362 HD11 LEU 47 1HD1 LEU 47 -0.876 3.605 -2.781 363 HD12 LEU 47 2HD1 LEU 47 -1.738 2.293 -1.979 364 HD13 LEU 47 3HD1 LEU 47 -2.109 3.969 -1.574 365 HD21 LEU 47 3HD2 LEU 47 -3.901 1.795 -2.322 366 HD22 LEU 47 1HD2 LEU 47 -4.714 2.224 -3.823 367 HD23 LEU 47 2HD2 LEU 47 -4.795 3.310 -2.437 368 H GLU 48 H GLU 48 -2.792 6.706 -6.240 369 HA GLU 48 HA GLU 48 -4.102 9.024 -5.314 370 HB2 GLU 48 1HB GLU 48 -1.954 8.988 -6.597 371 HB3 GLU 48 2HB GLU 48 -2.869 8.612 -8.057 372 HG2 GLU 48 1HG GLU 48 -4.135 10.709 -7.819 373 HG3 GLU 48 2HG GLU 48 -3.244 11.084 -6.344 374 H ILE 49 H ILE 49 -4.738 7.143 -8.285 375 HA ILE 49 HA ILE 49 -6.962 8.748 -9.140 376 HB ILE 49 HB ILE 49 -6.211 5.867 -9.721 377 HG12 ILE 49 1HG1 ILE 49 -5.983 8.347 -11.455 378 HG13 ILE 49 2HG1 ILE 49 -4.665 7.749 -10.447 379 HG21 ILE 49 1HG2 ILE 49 -8.529 5.977 -10.204 380 HG22 ILE 49 2HG2 ILE 49 -7.751 6.296 -11.753 381 HG23 ILE 49 3HG2 ILE 49 -8.414 7.630 -10.807 382 HD11 ILE 49 3HD1 ILE 49 -4.700 5.601 -11.630 383 HD12 ILE 49 1HD1 ILE 49 -4.489 6.920 -12.783 384 HD13 ILE 49 2HD1 ILE 49 -6.063 6.144 -12.608 385 H LEU 50 H LEU 50 -6.744 5.756 -7.227 386 HA LEU 50 HA LEU 50 -9.552 5.348 -6.925 387 HB2 LEU 50 1HB LEU 50 -7.898 3.595 -6.436 388 HB3 LEU 50 2HB LEU 50 -7.273 4.547 -5.092 389 HG LEU 50 HG LEU 50 -9.427 4.382 -3.929 390 HD11 LEU 50 1HD1 LEU 50 -11.071 2.626 -5.015 391 HD12 LEU 50 2HD1 LEU 50 -10.273 3.093 -6.517 392 HD13 LEU 50 3HD1 LEU 50 -11.111 4.306 -5.550 393 HD21 LEU 50 3HD2 LEU 50 -9.426 1.919 -3.539 394 HD22 LEU 50 1HD2 LEU 50 -7.800 2.602 -3.539 395 HD23 LEU 50 2HD2 LEU 50 -8.386 1.721 -4.950 396 H THR 51 H THR 51 -7.214 7.129 -4.906 397 HA THR 51 HA THR 51 -9.409 7.952 -3.081 398 HB THR 51 HB THR 51 -7.439 9.101 -1.892 399 HG1 THR 51 HG1 THR 51 -5.830 7.359 -3.365 400 HG21 THR 51 3HG2 THR 51 -7.295 6.098 -2.292 401 HG22 THR 51 1HG2 THR 51 -8.407 6.918 -1.195 402 HG23 THR 51 2HG2 THR 51 -6.668 6.993 -0.909 403 H GLY 52 H GLY 52 -7.783 9.078 -5.871 404 HA2 GLY 52 1HA GLY 52 -7.991 11.096 -7.056 405 HA3 GLY 52 2HA GLY 52 -9.339 11.487 -5.985 406 H GLY 53 H GLY 53 -6.535 10.725 -4.256 407 HA2 GLY 53 1HA GLY 53 -6.273 13.495 -3.360 408 HA3 GLY 53 2HA GLY 53 -5.376 12.114 -2.732 409 H CYS 54 H CYS 54 -3.481 13.530 -2.830 410 HA CYS 54 HA CYS 54 -2.346 13.794 -5.600 411 HB2 CYS 54 1HB CYS 54 -2.290 15.598 -3.207 412 HB3 CYS 54 2HB CYS 54 -0.875 15.579 -4.262 413 HG CYS 54 HG CYS 54 -2.362 17.276 -5.428 414 H ALA 55 H ALA 55 -0.696 12.449 -5.946 415 HA ALA 55 HA ALA 55 0.455 10.769 -3.938 416 HB1 ALA 55 3HB ALA 55 0.405 10.161 -6.318 417 HB2 ALA 55 1HB ALA 55 2.066 10.159 -5.723 418 HB3 ALA 55 2HB ALA 55 1.476 11.509 -6.695 419 H GLY 56 H GLY 56 1.294 13.950 -5.135 420 HA2 GLY 56 1HA GLY 56 4.020 13.993 -4.240 421 HA3 GLY 56 2HA GLY 56 3.029 15.418 -4.549 422 H THR 57 H THR 57 1.195 13.765 -2.448 423 HA THR 57 HA THR 57 2.635 14.630 0.016 424 HB THR 57 HB THR 57 1.227 16.539 -0.509 425 HG1 THR 57 HG1 THR 57 0.789 14.904 1.605 426 HG21 THR 57 3HG2 THR 57 -1.097 16.376 -1.007 427 HG22 THR 57 1HG2 THR 57 -1.154 14.681 -0.529 428 HG23 THR 57 2HG2 THR 57 -0.319 15.152 -2.007 429 H MET 58 H MET 58 1.098 12.227 -1.605 430 HA MET 58 HA MET 58 -0.529 11.134 0.557 431 HB2 MET 58 1HB MET 58 -0.908 10.706 -1.915 432 HB3 MET 58 2HB MET 58 0.525 9.678 -1.879 433 HG2 MET 58 1HG MET 58 -0.634 8.464 0.092 434 HG3 MET 58 2HG MET 58 -2.102 9.278 -0.449 435 HE1 MET 58 3HE MET 58 -2.601 9.336 -3.224 436 HE2 MET 58 1HE MET 58 -3.606 8.453 -2.067 437 HE3 MET 58 2HE MET 58 -3.168 7.712 -3.604 438 H LYS 59 H LYS 59 0.056 9.572 2.039 439 HA LYS 59 HA LYS 59 2.877 8.540 1.939 440 HB2 LYS 59 1HB LYS 59 1.264 9.466 4.326 441 HB3 LYS 59 2HB LYS 59 2.806 8.614 4.443 442 HG2 LYS 59 1HG LYS 59 3.840 10.395 3.027 443 HG3 LYS 59 2HG LYS 59 2.314 11.274 3.077 444 HD2 LYS 59 1HD LYS 59 3.821 10.440 5.566 445 HD3 LYS 59 2HD LYS 59 4.048 12.005 4.789 446 HE2 LYS 59 1HE LYS 59 1.489 12.279 4.993 447 HE3 LYS 59 2HE LYS 59 1.560 10.918 6.113 448 HZ1 LYS 59 3HZ LYS 59 2.646 12.122 7.663 449 HZ2 LYS 59 1HZ LYS 59 1.854 13.412 6.898 450 HZ3 LYS 59 2HZ LYS 59 3.476 13.073 6.526 451 H VAL 60 H VAL 60 3.130 6.383 2.387 452 HA VAL 60 HA VAL 60 0.630 4.789 2.871 453 HB VAL 60 HB VAL 60 3.145 4.176 1.298 454 HG11 VAL 60 1HG1 VAL 60 1.900 1.970 0.843 455 HG12 VAL 60 2HG1 VAL 60 0.927 2.361 2.262 456 HG13 VAL 60 3HG1 VAL 60 2.669 2.132 2.422 457 HG21 VAL 60 3HG2 VAL 60 0.211 4.197 0.529 458 HG22 VAL 60 1HG2 VAL 60 1.577 3.937 -0.558 459 HG23 VAL 60 2HG2 VAL 60 1.342 5.512 0.203 460 H GLN 61 H GLN 61 0.609 3.519 4.655 461 HA GLN 61 HA GLN 61 3.203 2.975 6.070 462 HB2 GLN 61 1HB GLN 61 0.537 3.827 7.233 463 HB3 GLN 61 2HB GLN 61 1.854 3.162 8.201 464 HG2 GLN 61 1HG GLN 61 3.340 4.967 7.458 465 HG3 GLN 61 2HG GLN 61 2.058 5.622 6.439 466 HE21 GLN 61 2HE2 GLN 61 3.487 5.990 9.451 467 HE22 GLN 61 1HE2 GLN 61 2.201 6.738 10.267 468 H VAL 62 H VAL 62 3.504 0.857 6.501 469 HA VAL 62 HA VAL 62 1.359 -1.049 5.799 470 HB VAL 62 HB VAL 62 4.239 -1.476 6.650 471 HG11 VAL 62 1HG1 VAL 62 2.079 -3.372 5.694 472 HG12 VAL 62 2HG1 VAL 62 2.985 -3.448 7.206 473 HG13 VAL 62 3HG1 VAL 62 3.794 -3.782 5.675 474 HG21 VAL 62 3HG2 VAL 62 4.723 -1.764 4.341 475 HG22 VAL 62 1HG2 VAL 62 3.710 -0.322 4.407 476 HG23 VAL 62 2HG2 VAL 62 3.015 -1.866 3.914 477 H PHE 63 H PHE 63 0.171 -2.149 7.293 478 HA PHE 63 HA PHE 63 1.046 -2.051 10.157 479 HB2 PHE 63 1HB PHE 63 -1.655 -1.482 8.944 480 HB3 PHE 63 2HB PHE 63 -1.516 -2.041 10.612 481 HD1 PHE 63 HD2 PHE 63 -0.004 -0.764 12.207 482 HD2 PHE 63 HD1 PHE 63 -1.229 0.790 8.392 483 HE1 PHE 63 HE2 PHE 63 0.584 1.529 12.950 484 HE2 PHE 63 HE1 PHE 63 -0.641 3.083 9.135 485 HZ PHE 63 HZ PHE 63 0.265 3.451 11.415 486 H LYS 64 H LYS 64 0.690 -3.868 11.356 487 HA LYS 64 HA LYS 64 -0.671 -6.185 10.086 488 HB2 LYS 64 1HB LYS 64 1.745 -6.395 9.545 489 HB3 LYS 64 2HB LYS 64 2.128 -6.294 11.263 490 HG2 LYS 64 1HG LYS 64 0.832 -8.328 11.699 491 HG3 LYS 64 2HG LYS 64 0.371 -8.419 9.998 492 HD2 LYS 64 1HD LYS 64 2.751 -8.644 9.367 493 HD3 LYS 64 2HD LYS 64 3.205 -8.573 11.070 494 HE2 LYS 64 1HE LYS 64 1.886 -10.603 11.517 495 HE3 LYS 64 2HE LYS 64 1.406 -10.671 9.821 496 HZ1 LYS 64 3HZ LYS 64 4.078 -11.094 11.001 497 HZ2 LYS 64 1HZ LYS 64 3.907 -10.670 9.368 498 HZ3 LYS 64 2HZ LYS 64 3.205 -12.104 9.950 499 H GLY 65 H GLY 65 -2.274 -5.610 11.702 500 HA2 GLY 65 1HA GLY 65 -3.307 -6.336 13.717 501 HA3 GLY 65 2HA GLY 65 -1.741 -6.907 14.289 502 H ASP 66 H ASP 66 -1.273 -5.835 16.131 503 HA ASP 66 HA ASP 66 -2.070 -2.986 16.449 504 HB2 ASP 66 1HB ASP 66 -0.976 -5.046 18.388 505 HB3 ASP 66 2HB ASP 66 -1.346 -3.378 18.824 506 H THR 67 H THR 67 0.491 -4.552 15.138 507 HA THR 67 HA THR 67 2.451 -2.489 16.103 508 HB THR 67 HB THR 67 3.012 -5.379 15.380 509 HG1 THR 67 HG1 THR 67 2.534 -3.993 17.714 510 HG21 THR 67 3HG2 THR 67 4.925 -4.172 14.709 511 HG22 THR 67 1HG2 THR 67 5.306 -4.661 16.359 512 HG23 THR 67 2HG2 THR 67 4.770 -3.014 16.031 513 H CYS 68 H CYS 68 3.412 -1.321 14.554 514 HA CYS 68 HA CYS 68 2.620 -1.740 11.779 515 HB2 CYS 68 1HB CYS 68 4.168 0.301 11.452 516 HB3 CYS 68 2HB CYS 68 2.714 0.531 12.422 517 HG CYS 68 HG CYS 68 5.039 -0.264 14.191 518 H VAL 69 H VAL 69 3.746 -2.908 10.323 519 HA VAL 69 HA VAL 69 6.196 -4.252 10.984 520 HB VAL 69 HB VAL 69 5.124 -3.739 8.200 521 HG11 VAL 69 1HG1 VAL 69 6.525 -6.162 9.354 522 HG12 VAL 69 2HG1 VAL 69 7.381 -4.846 8.549 523 HG13 VAL 69 3HG1 VAL 69 6.206 -5.811 7.656 524 HG21 VAL 69 3HG2 VAL 69 3.252 -4.509 9.531 525 HG22 VAL 69 1HG2 VAL 69 4.243 -5.759 10.284 526 HG23 VAL 69 2HG2 VAL 69 3.831 -5.871 8.573 527 H SER 70 H SER 70 5.478 -1.418 8.932 528 HA SER 70 HA SER 70 7.779 0.045 9.558 529 HB2 SER 70 1HB SER 70 8.240 -2.037 7.453 530 HB3 SER 70 2HB SER 70 8.988 -0.460 7.220 531 HG SER 70 HG SER 70 10.438 -1.211 8.538 532 H THR 71 H THR 71 8.369 1.564 7.550 533 HA THR 71 HA THR 71 5.787 2.298 6.201 534 HB THR 71 HB THR 71 8.008 4.113 7.185 535 HG1 THR 71 HG1 THR 71 6.566 4.663 8.746 536 HG21 THR 71 3HG2 THR 71 6.319 5.892 6.565 537 HG22 THR 71 1HG2 THR 71 5.402 4.633 5.737 538 HG23 THR 71 2HG2 THR 71 7.029 5.041 5.192 539 H MET 72 H MET 72 5.865 2.388 4.030 540 HA MET 72 HA MET 72 8.170 1.557 2.559 541 HB2 MET 72 1HB MET 72 5.601 2.927 1.724 542 HB3 MET 72 2HB MET 72 6.807 2.351 0.570 543 HG2 MET 72 1HG MET 72 6.599 0.068 1.490 544 HG3 MET 72 2HG MET 72 5.395 0.643 2.644 545 HE1 MET 72 3HE MET 72 3.398 -1.542 0.196 546 HE2 MET 72 1HE MET 72 3.191 -0.858 1.813 547 HE3 MET 72 2HE MET 72 4.713 -1.625 1.366 548 H ASP 73 H ASP 73 9.842 3.011 3.308 549 HA ASP 73 HA ASP 73 9.610 5.869 2.541 550 HB2 ASP 73 1HB ASP 73 11.857 6.027 3.664 551 HB3 ASP 73 2HB ASP 73 10.577 5.429 4.721 552 H ASN 74 H ASN 74 10.960 2.897 1.381 553 HA ASN 74 HA ASN 74 12.837 4.317 -0.437 554 HB2 ASN 74 1HB ASN 74 13.622 2.281 0.715 555 HB3 ASN 74 2HB ASN 74 12.336 1.352 -0.058 556 HD21 ASN 74 2HD2 ASN 74 15.106 0.738 -0.514 557 HD22 ASN 74 1HD2 ASN 74 15.471 1.090 -2.134 558 H ASN 75 H ASN 75 11.792 5.183 -2.138 559 HA ASN 75 HA ASN 75 9.391 4.136 -3.322 560 HB2 ASN 75 1HB ASN 75 11.454 6.155 -4.211 561 HB3 ASN 75 2HB ASN 75 10.072 5.734 -5.222 562 HD21 ASN 75 2HD2 ASN 75 10.299 8.370 -4.240 563 HD22 ASN 75 1HD2 ASN 75 9.098 8.640 -3.070 564 H ASP 76 H ASP 76 12.826 3.742 -4.048 565 HA ASP 76 HA ASP 76 12.401 2.397 -6.577 566 HB2 ASP 76 1HB ASP 76 14.775 2.564 -4.702 567 HB3 ASP 76 2HB ASP 76 14.831 1.748 -6.264 568 H ALA 77 H ALA 77 11.777 1.411 -3.440 569 HA ALA 77 HA ALA 77 12.657 -1.368 -3.719 570 HB1 ALA 77 3HB ALA 77 10.910 0.040 -1.688 571 HB2 ALA 77 1HB ALA 77 12.591 -0.460 -1.497 572 HB3 ALA 77 2HB ALA 77 11.317 -1.675 -1.602 573 H GLN 78 H GLN 78 11.229 -3.189 -3.863 574 HA GLN 78 HA GLN 78 8.966 -2.735 -5.656 575 HB2 GLN 78 1HB GLN 78 10.174 -5.235 -4.451 576 HB3 GLN 78 2HB GLN 78 8.816 -5.254 -5.577 577 HG2 GLN 78 1HG GLN 78 10.169 -4.127 -7.276 578 HG3 GLN 78 2HG GLN 78 11.522 -4.011 -6.150 579 HE21 GLN 78 2HE2 GLN 78 10.480 -5.822 -8.722 580 HE22 GLN 78 1HE2 GLN 78 11.228 -7.301 -8.352 581 H LEU 79 H LEU 79 6.827 -3.735 -5.218 582 HA LEU 79 HA LEU 79 5.718 -2.874 -2.732 583 HB2 LEU 79 1HB LEU 79 4.347 -3.058 -4.747 584 HB3 LEU 79 2HB LEU 79 4.638 -4.794 -4.821 585 HG LEU 79 HG LEU 79 3.433 -5.128 -2.720 586 HD11 LEU 79 1HD1 LEU 79 3.448 -2.113 -2.684 587 HD12 LEU 79 2HD1 LEU 79 3.851 -3.242 -1.391 588 HD13 LEU 79 3HD1 LEU 79 2.168 -3.000 -1.852 589 HD21 LEU 79 3HD2 LEU 79 1.168 -4.182 -3.458 590 HD22 LEU 79 1HD2 LEU 79 2.009 -5.192 -4.635 591 HD23 LEU 79 2HD2 LEU 79 2.032 -3.436 -4.802 592 H GLY 80 H GLY 80 6.682 -6.103 -3.904 593 HA2 GLY 80 1HA GLY 80 5.770 -7.470 -1.520 594 HA3 GLY 80 2HA GLY 80 6.861 -8.141 -2.733 595 H TYR 81 H TYR 81 8.249 -5.304 -1.968 596 HA TYR 81 HA TYR 81 10.417 -6.470 -0.518 597 HB2 TYR 81 1HB TYR 81 10.500 -4.353 -1.884 598 HB3 TYR 81 2HB TYR 81 9.634 -3.545 -0.580 599 HD1 TYR 81 HD2 TYR 81 10.679 -3.337 1.681 600 HD2 TYR 81 HD1 TYR 81 12.819 -4.927 -1.684 601 HE1 TYR 81 HE2 TYR 81 12.818 -3.012 2.891 602 HE2 TYR 81 HE1 TYR 81 14.959 -4.605 -0.474 603 HH TYR 81 HH TYR 81 15.801 -3.094 1.395 604 H TYR 82 H TYR 82 7.669 -4.466 0.550 605 HA TYR 82 HA TYR 82 8.379 -5.052 3.402 606 HB2 TYR 82 1HB TYR 82 6.495 -2.983 2.219 607 HB3 TYR 82 2HB TYR 82 6.881 -3.166 3.929 608 HD1 TYR 82 HD2 TYR 82 9.302 -2.893 4.676 609 HD2 TYR 82 HD1 TYR 82 7.923 -1.755 0.770 610 HE1 TYR 82 HE2 TYR 82 11.314 -1.476 4.377 611 HE2 TYR 82 HE1 TYR 82 9.936 -0.338 0.471 612 HH TYR 82 HH TYR 82 11.767 0.761 2.774 613 H ALA 83 H ALA 83 5.872 -5.386 0.952 614 HA ALA 83 HA ALA 83 4.110 -6.789 2.927 615 HB1 ALA 83 3HB ALA 83 3.205 -4.874 1.509 616 HB2 ALA 83 1HB ALA 83 2.302 -6.385 1.417 617 HB3 ALA 83 2HB ALA 83 3.398 -5.933 0.112 618 H ASN 84 H ASN 84 5.647 -8.645 2.789 619 HA ASN 84 HA ASN 84 5.501 -10.175 0.231 620 HB2 ASN 84 1HB ASN 84 7.272 -11.565 1.200 621 HB3 ASN 84 2HB ASN 84 7.730 -9.865 1.291 622 HD21 ASN 84 2HD2 ASN 84 9.025 -11.495 3.077 623 HD22 ASN 84 1HD2 ASN 84 8.409 -11.293 4.646 624 H SER 85 H SER 85 3.602 -9.827 2.847 625 HA SER 85 HA SER 85 2.721 -12.689 2.757 626 HB2 SER 85 1HB SER 85 3.075 -10.964 5.221 627 HB3 SER 85 2HB SER 85 2.179 -12.480 5.205 628 HG SER 85 HG SER 85 4.678 -12.570 4.041 629 H ASP 86 H ASP 86 0.471 -12.982 2.984 630 HA ASP 86 HA ASP 86 -1.120 -10.630 2.226 631 HB2 ASP 86 1HB ASP 86 -2.942 -12.228 1.905 632 HB3 ASP 86 2HB ASP 86 -1.478 -12.816 1.121 633 H GLY 87 H GLY 87 -3.349 -10.433 3.324 634 HA2 GLY 87 1HA GLY 87 -4.680 -10.312 5.293 635 HA3 GLY 87 2HA GLY 87 -3.391 -11.124 6.188 636 H LEU 88 H LEU 88 -1.856 -8.816 4.459 637 HA LEU 88 HA LEU 88 -1.514 -7.096 6.792 638 HB2 LEU 88 1HB LEU 88 -0.468 -6.785 3.962 639 HB3 LEU 88 2HB LEU 88 0.087 -5.886 5.373 640 HG LEU 88 HG LEU 88 0.244 -8.897 5.051 641 HD11 LEU 88 1HD1 LEU 88 2.472 -6.843 5.021 642 HD12 LEU 88 2HD1 LEU 88 1.768 -7.549 3.568 643 HD13 LEU 88 3HD1 LEU 88 2.619 -8.574 4.723 644 HD21 LEU 88 3HD2 LEU 88 1.891 -8.460 7.071 645 HD22 LEU 88 1HD2 LEU 88 0.158 -8.560 7.370 646 HD23 LEU 88 2HD2 LEU 88 0.946 -6.985 7.277 647 H ARG 89 H ARG 89 -1.814 -4.739 6.694 648 HA ARG 89 HA ARG 89 -4.055 -3.906 4.876 649 HB2 ARG 89 1HB ARG 89 -4.854 -4.295 7.199 650 HB3 ARG 89 2HB ARG 89 -3.676 -3.115 7.780 651 HG2 ARG 89 1HG ARG 89 -4.716 -1.359 6.439 652 HG3 ARG 89 2HG ARG 89 -5.839 -2.522 5.736 653 HD2 ARG 89 1HD ARG 89 -6.961 -1.305 7.520 654 HD3 ARG 89 2HD ARG 89 -6.723 -2.977 8.030 655 HE ARG 89 HE ARG 89 -4.496 -1.393 8.890 656 HH11 ARG 89 1HH2 ARG 89 -7.853 -1.972 9.462 657 HH12 ARG 89 2HH2 ARG 89 -7.778 -1.511 11.130 658 HH21 ARG 89 1HH1 ARG 89 -4.389 -0.790 11.058 659 HH22 ARG 89 2HH1 ARG 89 -5.819 -0.842 12.033 660 H LEU 90 H LEU 90 -3.773 -1.989 3.872 661 HA LEU 90 HA LEU 90 -1.300 -0.423 4.503 662 HB2 LEU 90 1HB LEU 90 -2.965 -0.474 1.967 663 HB3 LEU 90 2HB LEU 90 -1.423 0.356 2.191 664 HG LEU 90 HG LEU 90 -1.856 -2.639 2.396 665 HD11 LEU 90 1HD1 LEU 90 -0.484 -0.957 0.277 666 HD12 LEU 90 2HD1 LEU 90 -2.019 -1.806 0.088 667 HD13 LEU 90 3HD1 LEU 90 -0.527 -2.721 0.312 668 HD21 LEU 90 3HD2 LEU 90 0.517 -0.835 2.868 669 HD22 LEU 90 1HD2 LEU 90 0.774 -2.474 2.267 670 HD23 LEU 90 2HD2 LEU 90 -0.032 -2.222 3.810 671 H HIS 91 H HIS 91 -1.543 1.597 5.274 672 HA HIS 91 HA HIS 91 -4.283 2.823 5.209 673 HB2 HIS 91 1HB HIS 91 -3.343 2.260 7.465 674 HB3 HIS 91 2HB HIS 91 -2.009 3.369 7.139 675 HD1 HIS 91 HD1 HIS 91 -5.824 3.444 7.159 676 HD2 HIS 91 HD2 HIS 91 -2.585 5.969 7.869 677 HE1 HIS 91 HE1 HIS 91 -6.794 5.646 7.950 678 H VAL 92 H VAL 92 -4.376 4.381 3.684 679 HA VAL 92 HA VAL 92 -1.903 5.857 2.938 680 HB VAL 92 HB VAL 92 -4.655 5.993 1.676 681 HG11 VAL 92 1HG1 VAL 92 -2.959 7.822 1.219 682 HG12 VAL 92 2HG1 VAL 92 -3.479 6.928 -0.210 683 HG13 VAL 92 3HG1 VAL 92 -1.916 6.580 0.528 684 HG21 VAL 92 3HG2 VAL 92 -3.798 3.674 1.661 685 HG22 VAL 92 1HG2 VAL 92 -2.277 4.242 0.972 686 HG23 VAL 92 2HG2 VAL 92 -3.769 4.367 0.039 687 H VAL 93 H VAL 93 -1.560 7.875 3.702 688 HA VAL 93 HA VAL 93 -3.824 9.302 5.049 689 HB VAL 93 HB VAL 93 -0.851 9.842 5.274 690 HG11 VAL 93 1HG1 VAL 93 -2.495 11.669 5.869 691 HG12 VAL 93 2HG1 VAL 93 -1.481 11.142 7.212 692 HG13 VAL 93 3HG1 VAL 93 -3.152 10.590 7.099 693 HG21 VAL 93 3HG2 VAL 93 -2.689 8.160 7.006 694 HG22 VAL 93 1HG2 VAL 93 -1.058 8.648 7.466 695 HG23 VAL 93 2HG2 VAL 93 -1.302 7.584 6.082 696 H ASP 94 H ASP 94 -4.726 10.847 3.803 697 HA ASP 94 HA ASP 94 -3.018 12.271 1.785 698 HB2 ASP 94 1HB ASP 94 -4.969 10.910 0.933 699 HB3 ASP 94 2HB ASP 94 -6.035 12.019 1.797 700 H SER 95 H SER 95 -3.094 14.515 1.716 701 HA SER 95 HA SER 95 -3.174 16.641 2.704 702 HB2 SER 95 1HB SER 95 -5.565 16.143 1.787 703 HB3 SER 95 2HB SER 95 -6.011 15.974 3.482 704 HG SER 95 HG SER 95 -5.822 18.061 3.717 Start of MODEL 12 1 H1 MET 1 1H MET 1 1.534 -6.848 -33.090 2 H2 MET 1 2H MET 1 0.841 -5.559 -33.952 3 H3 MET 1 3H MET 1 -0.031 -6.318 -32.707 4 HA MET 1 HA MET 1 2.543 -4.942 -32.215 5 HB2 MET 1 1HB MET 1 0.922 -3.347 -33.217 6 HB3 MET 1 2HB MET 1 -0.255 -3.788 -31.980 7 HG2 MET 1 1HG MET 1 1.269 -3.002 -30.220 8 HG3 MET 1 2HG MET 1 2.486 -2.607 -31.434 9 HE1 MET 1 3HE MET 1 -0.335 -1.246 -29.304 10 HE2 MET 1 1HE MET 1 -1.188 -2.233 -30.499 11 HE3 MET 1 2HE MET 1 -1.435 -0.489 -30.453 12 H GLY 2 H GLY 2 3.215 -5.669 -30.272 13 HA2 GLY 2 1HA GLY 2 3.174 -6.415 -28.057 14 HA3 GLY 2 2HA GLY 2 1.626 -5.587 -27.913 15 H HIS 3 H HIS 3 0.243 -7.051 -27.011 16 HA HIS 3 HA HIS 3 -0.257 -9.573 -28.473 17 HB2 HIS 3 1HB HIS 3 -0.128 -10.913 -26.377 18 HB3 HIS 3 2HB HIS 3 1.436 -10.249 -26.846 19 HD1 HIS 3 HD1 HIS 3 2.141 -7.972 -25.549 20 HD2 HIS 3 HD2 HIS 3 -0.958 -10.170 -23.833 21 HE1 HIS 3 HE1 HIS 3 1.932 -7.166 -23.157 22 H HIS 4 H HIS 4 -2.251 -10.651 -27.618 23 HA HIS 4 HA HIS 4 -4.283 -8.612 -27.079 24 HB2 HIS 4 1HB HIS 4 -4.525 -10.591 -28.673 25 HB3 HIS 4 2HB HIS 4 -4.681 -11.606 -27.239 26 HD1 HIS 4 HD1 HIS 4 -6.576 -10.499 -25.445 27 HD2 HIS 4 HD2 HIS 4 -6.987 -9.706 -29.517 28 HE1 HIS 4 HE1 HIS 4 -8.977 -9.776 -25.795 29 H HIS 5 H HIS 5 -5.256 -8.236 -25.132 30 HA HIS 5 HA HIS 5 -4.155 -9.494 -22.742 31 HB2 HIS 5 1HB HIS 5 -6.378 -7.473 -23.140 32 HB3 HIS 5 2HB HIS 5 -5.777 -7.988 -21.563 33 HD1 HIS 5 HD1 HIS 5 -3.090 -7.599 -21.212 34 HD2 HIS 5 HD2 HIS 5 -4.905 -5.413 -24.264 35 HE1 HIS 5 HE1 HIS 5 -1.508 -5.701 -21.773 36 H HIS 6 H HIS 6 -5.533 -10.492 -21.081 37 HA HIS 6 HA HIS 6 -7.015 -12.150 -20.380 38 HB2 HIS 6 1HB HIS 6 -8.690 -10.385 -20.756 39 HB3 HIS 6 2HB HIS 6 -8.820 -10.855 -22.449 40 HD1 HIS 6 HD1 HIS 6 -10.135 -12.996 -23.003 41 HD2 HIS 6 HD2 HIS 6 -9.831 -12.271 -18.908 42 HE1 HIS 6 HE1 HIS 6 -11.734 -14.601 -21.870 43 H HIS 7 H HIS 7 -5.932 -13.995 -21.074 44 HA HIS 7 HA HIS 7 -7.130 -15.355 -23.408 45 HB2 HIS 7 1HB HIS 7 -4.911 -15.948 -24.344 46 HB3 HIS 7 2HB HIS 7 -5.205 -14.211 -24.405 47 HD1 HIS 7 HD1 HIS 7 -3.337 -16.795 -22.335 48 HD2 HIS 7 HD2 HIS 7 -3.341 -12.680 -23.004 49 HE1 HIS 7 HE1 HIS 7 -1.292 -15.876 -21.157 50 H HIS 8 H HIS 8 -6.438 -17.676 -23.462 51 HA HIS 8 HA HIS 8 -6.362 -19.724 -22.324 52 HB2 HIS 8 1HB HIS 8 -3.963 -19.156 -22.371 53 HB3 HIS 8 2HB HIS 8 -4.145 -18.270 -20.855 54 HD1 HIS 8 HD1 HIS 8 -4.759 -21.793 -22.189 55 HD2 HIS 8 HD2 HIS 8 -3.817 -19.867 -18.614 56 HE1 HIS 8 HE1 HIS 8 -4.366 -23.616 -20.476 57 H SER 9 H SER 9 -5.097 -18.743 -19.351 58 HA SER 9 HA SER 9 -7.675 -18.108 -18.093 59 HB2 SER 9 1HB SER 9 -7.502 -20.108 -16.556 60 HB3 SER 9 2HB SER 9 -7.921 -20.504 -18.219 61 HG SER 9 HG SER 9 -5.393 -20.693 -16.943 62 H HIS 10 H HIS 10 -7.383 -17.734 -15.728 63 HA HIS 10 HA HIS 10 -4.565 -17.389 -14.852 64 HB2 HIS 10 1HB HIS 10 -6.613 -15.152 -14.948 65 HB3 HIS 10 2HB HIS 10 -5.059 -15.056 -14.119 66 HD1 HIS 10 HD1 HIS 10 -3.003 -15.971 -15.916 67 HD2 HIS 10 HD2 HIS 10 -6.368 -14.054 -17.458 68 HE1 HIS 10 HE1 HIS 10 -2.352 -15.118 -18.208 69 H GLY 11 H GLY 11 -4.443 -16.978 -12.501 70 HA2 GLY 11 1HA GLY 11 -6.934 -17.520 -10.973 71 HA3 GLY 11 2HA GLY 11 -5.595 -18.655 -10.781 72 H LYS 12 H LYS 12 -3.864 -18.066 -9.466 73 HA LYS 12 HA LYS 12 -3.503 -15.262 -8.669 74 HB2 LYS 12 1HB LYS 12 -3.647 -16.002 -6.177 75 HB3 LYS 12 2HB LYS 12 -5.150 -15.690 -7.042 76 HG2 LYS 12 1HG LYS 12 -5.382 -18.111 -7.504 77 HG3 LYS 12 2HG LYS 12 -3.891 -18.416 -6.613 78 HD2 LYS 12 1HD LYS 12 -4.900 -17.488 -4.577 79 HD3 LYS 12 2HD LYS 12 -6.383 -17.127 -5.462 80 HE2 LYS 12 1HE LYS 12 -6.651 -19.225 -4.236 81 HE3 LYS 12 2HE LYS 12 -6.637 -19.550 -5.969 82 HZ1 LYS 12 3HZ LYS 12 -4.709 -20.652 -5.832 83 HZ2 LYS 12 1HZ LYS 12 -5.089 -20.809 -4.187 84 HZ3 LYS 12 2HZ LYS 12 -4.039 -19.577 -4.699 85 H SER 13 H SER 13 -1.332 -15.079 -8.866 86 HA SER 13 HA SER 13 0.417 -17.066 -7.505 87 HB2 SER 13 1HB SER 13 0.576 -16.302 -10.436 88 HB3 SER 13 2HB SER 13 1.920 -17.030 -9.559 89 HG SER 13 HG SER 13 -0.695 -18.133 -9.734 90 H ASP 14 H ASP 14 0.656 -14.239 -9.686 91 HA ASP 14 HA ASP 14 2.799 -13.121 -8.000 92 HB2 ASP 14 1HB ASP 14 1.529 -12.174 -10.584 93 HB3 ASP 14 2HB ASP 14 2.856 -11.347 -9.767 94 H PHE 15 H PHE 15 -0.482 -13.143 -7.819 95 HA PHE 15 HA PHE 15 -0.672 -10.312 -6.834 96 HB2 PHE 15 1HB PHE 15 -2.844 -12.245 -7.699 97 HB3 PHE 15 2HB PHE 15 -3.118 -10.613 -7.087 98 HD1 PHE 15 HD1 PHE 15 -2.387 -8.638 -8.382 99 HD2 PHE 15 HD2 PHE 15 -1.965 -12.629 -9.909 100 HE1 PHE 15 HE1 PHE 15 -2.005 -7.726 -10.656 101 HE2 PHE 15 HE2 PHE 15 -1.582 -11.722 -12.181 102 HZ PHE 15 HZ PHE 15 -1.602 -9.269 -12.558 103 H ILE 16 H ILE 16 -1.504 -9.926 -4.796 104 HA ILE 16 HA ILE 16 -1.976 -12.295 -3.017 105 HB ILE 16 HB ILE 16 -0.859 -10.998 -1.215 106 HG12 ILE 16 1HG1 ILE 16 -0.075 -9.118 -3.466 107 HG13 ILE 16 2HG1 ILE 16 -1.256 -8.741 -2.213 108 HG21 ILE 16 1HG2 ILE 16 0.352 -12.649 -2.722 109 HG22 ILE 16 2HG2 ILE 16 1.385 -11.457 -1.935 110 HG23 ILE 16 3HG2 ILE 16 0.945 -11.259 -3.632 111 HD11 ILE 16 3HD1 ILE 16 0.514 -9.152 -0.492 112 HD12 ILE 16 1HD1 ILE 16 0.884 -7.799 -1.560 113 HD13 ILE 16 2HD1 ILE 16 1.681 -9.354 -1.798 114 H LYS 17 H LYS 17 -3.384 -11.759 -1.156 115 HA LYS 17 HA LYS 17 -5.393 -9.682 -1.919 116 HB2 LYS 17 1HB LYS 17 -5.519 -12.093 -0.090 117 HB3 LYS 17 2HB LYS 17 -6.827 -10.918 -0.248 118 HG2 LYS 17 1HG LYS 17 -6.930 -11.358 -2.676 119 HG3 LYS 17 2HG LYS 17 -5.629 -12.538 -2.516 120 HD2 LYS 17 1HD LYS 17 -7.021 -13.887 -1.003 121 HD3 LYS 17 2HD LYS 17 -8.324 -12.705 -1.138 122 HE2 LYS 17 1HE LYS 17 -8.450 -13.115 -3.566 123 HE3 LYS 17 2HE LYS 17 -7.147 -14.297 -3.436 124 HZ1 LYS 17 3HZ LYS 17 -8.631 -15.429 -1.739 125 HZ2 LYS 17 1HZ LYS 17 -9.097 -15.546 -3.365 126 HZ3 LYS 17 2HZ LYS 17 -9.886 -14.449 -2.334 127 H VAL 18 H VAL 18 -5.277 -7.785 -0.849 128 HA VAL 18 HA VAL 18 -4.523 -7.790 2.041 129 HB VAL 18 HB VAL 18 -3.134 -5.765 1.656 130 HG11 VAL 18 1HG1 VAL 18 -2.163 -8.079 1.711 131 HG12 VAL 18 2HG1 VAL 18 -1.215 -6.946 0.748 132 HG13 VAL 18 3HG1 VAL 18 -2.265 -8.117 -0.049 133 HG21 VAL 18 3HG2 VAL 18 -2.412 -5.410 -0.776 134 HG22 VAL 18 1HG2 VAL 18 -4.045 -4.880 -0.373 135 HG23 VAL 18 2HG2 VAL 18 -3.797 -6.401 -1.231 136 H ASN 19 H ASN 19 -5.137 -5.688 3.083 137 HA ASN 19 HA ASN 19 -7.716 -4.707 1.932 138 HB2 ASN 19 1HB ASN 19 -6.551 -4.723 4.724 139 HB3 ASN 19 2HB ASN 19 -7.985 -3.784 4.305 140 HD21 ASN 19 2HD2 ASN 19 -8.119 -5.968 6.161 141 HD22 ASN 19 1HD2 ASN 19 -9.047 -7.204 5.460 142 H VAL 20 H VAL 20 -8.029 -2.511 1.548 143 HA VAL 20 HA VAL 20 -5.684 -0.690 2.016 144 HB VAL 20 HB VAL 20 -7.479 -0.931 -0.414 145 HG11 VAL 20 1HG1 VAL 20 -6.020 1.019 -1.240 146 HG12 VAL 20 2HG1 VAL 20 -5.594 1.272 0.453 147 HG13 VAL 20 3HG1 VAL 20 -7.274 1.418 -0.066 148 HG21 VAL 20 3HG2 VAL 20 -5.454 -2.430 -0.165 149 HG22 VAL 20 1HG2 VAL 20 -4.460 -0.973 -0.156 150 HG23 VAL 20 2HG2 VAL 20 -5.415 -1.379 -1.582 151 H SER 21 H SER 21 -6.202 1.233 2.975 152 HA SER 21 HA SER 21 -9.027 2.160 2.965 153 HB2 SER 21 1HB SER 21 -9.085 2.388 5.383 154 HB3 SER 21 2HB SER 21 -8.697 0.715 4.996 155 HG SER 21 HG SER 21 -6.920 1.001 6.063 156 H ASN 22 H ASN 22 -9.128 4.438 3.911 157 HA ASN 22 HA ASN 22 -6.511 5.862 3.831 158 HB2 ASN 22 1HB ASN 22 -7.551 7.596 2.331 159 HB3 ASN 22 2HB ASN 22 -7.279 6.042 1.546 160 HD21 ASN 22 2HD2 ASN 22 -9.103 7.093 0.104 161 HD22 ASN 22 1HD2 ASN 22 -10.702 6.739 0.553 162 H SER 23 H SER 23 -6.587 7.938 4.839 163 HA SER 23 HA SER 23 -8.246 8.095 7.154 164 HB2 SER 23 1HB SER 23 -6.684 10.276 5.747 165 HB3 SER 23 2HB SER 23 -7.307 10.368 7.392 166 HG SER 23 HG SER 23 -5.781 8.137 6.724 167 H HIS 24 H HIS 24 -8.457 9.737 3.996 168 HA HIS 24 HA HIS 24 -10.942 11.107 4.832 169 HB2 HIS 24 1HB HIS 24 -9.301 11.187 2.289 170 HB3 HIS 24 2HB HIS 24 -10.803 12.087 2.514 171 HD1 HIS 24 HD1 HIS 24 -7.222 11.981 3.594 172 HD2 HIS 24 HD2 HIS 24 -10.632 14.243 4.389 173 HE1 HIS 24 HE1 HIS 24 -6.444 14.028 4.867 174 H ASN 25 H ASN 25 -12.924 10.853 3.703 175 HA ASN 25 HA ASN 25 -14.646 9.622 2.734 176 HB2 ASN 25 1HB ASN 25 -12.426 8.508 0.994 177 HB3 ASN 25 2HB ASN 25 -14.152 8.471 0.641 178 HD21 ASN 25 2HD2 ASN 25 -11.488 10.106 -0.308 179 HD22 ASN 25 1HD2 ASN 25 -12.154 11.641 -0.589 180 H ASP 26 H ASP 26 -15.696 7.682 3.038 181 HA ASP 26 HA ASP 26 -14.331 5.729 4.763 182 HB2 ASP 26 1HB ASP 26 -16.694 6.538 5.153 183 HB3 ASP 26 2HB ASP 26 -17.167 5.685 3.685 184 H ALA 27 H ALA 27 -14.338 6.215 1.546 185 HA ALA 27 HA ALA 27 -15.092 3.773 0.343 186 HB1 ALA 27 3HB ALA 27 -12.838 5.677 -0.371 187 HB2 ALA 27 1HB ALA 27 -14.486 5.714 -1.000 188 HB3 ALA 27 2HB ALA 27 -13.413 4.378 -1.417 189 H VAL 28 H VAL 28 -14.426 1.811 1.114 190 HA VAL 28 HA VAL 28 -11.486 1.416 1.604 191 HB VAL 28 HB VAL 28 -13.855 0.312 3.140 192 HG11 VAL 28 1HG1 VAL 28 -11.984 -0.832 4.483 193 HG12 VAL 28 2HG1 VAL 28 -10.949 -0.523 3.089 194 HG13 VAL 28 3HG1 VAL 28 -12.377 -1.542 2.917 195 HG21 VAL 28 3HG2 VAL 28 -12.924 1.485 4.997 196 HG22 VAL 28 1HG2 VAL 28 -12.864 2.623 3.651 197 HG23 VAL 28 2HG2 VAL 28 -11.404 1.768 4.150 198 H ALA 29 H ALA 29 -10.606 -0.254 0.487 199 HA ALA 29 HA ALA 29 -12.443 -1.948 -1.157 200 HB1 ALA 29 3HB ALA 29 -10.608 -2.276 -2.631 201 HB2 ALA 29 1HB ALA 29 -9.440 -1.725 -1.430 202 HB3 ALA 29 2HB ALA 29 -10.536 -0.570 -2.190 203 H PHE 30 H PHE 30 -12.440 -4.178 -0.906 204 HA PHE 30 HA PHE 30 -10.690 -5.292 1.272 205 HB2 PHE 30 1HB PHE 30 -13.541 -5.928 0.484 206 HB3 PHE 30 2HB PHE 30 -12.584 -6.957 1.551 207 HD1 PHE 30 HD2 PHE 30 -11.566 -5.925 3.651 208 HD2 PHE 30 HD1 PHE 30 -14.589 -3.964 1.310 209 HE1 PHE 30 HE2 PHE 30 -12.083 -4.436 5.566 210 HE2 PHE 30 HE1 PHE 30 -15.104 -2.474 3.225 211 HZ PHE 30 HZ PHE 30 -13.852 -2.711 5.352 212 H GLU 31 H GLU 31 -9.679 -7.247 0.892 213 HA GLU 31 HA GLU 31 -8.588 -8.831 -0.445 214 HB2 GLU 31 1HB GLU 31 -11.461 -9.101 -1.374 215 HB3 GLU 31 2HB GLU 31 -10.183 -10.247 -1.782 216 HG2 GLU 31 1HG GLU 31 -9.772 -10.683 0.593 217 HG3 GLU 31 2HG GLU 31 -10.994 -9.492 1.040 218 H VAL 32 H VAL 32 -8.042 -6.379 -1.437 219 HA VAL 32 HA VAL 32 -8.792 -6.242 -4.280 220 HB VAL 32 HB VAL 32 -8.465 -4.226 -2.772 221 HG11 VAL 32 1HG1 VAL 32 -6.278 -5.232 -1.822 222 HG12 VAL 32 2HG1 VAL 32 -6.303 -3.504 -2.172 223 HG13 VAL 32 3HG1 VAL 32 -5.520 -4.618 -3.291 224 HG21 VAL 32 3HG2 VAL 32 -8.566 -3.968 -5.181 225 HG22 VAL 32 1HG2 VAL 32 -6.882 -4.463 -5.346 226 HG23 VAL 32 2HG2 VAL 32 -7.279 -2.932 -4.566 227 H LYS 33 H LYS 33 -7.673 -7.232 -5.870 228 HA LYS 33 HA LYS 33 -5.210 -8.683 -5.240 229 HB2 LYS 33 1HB LYS 33 -6.843 -8.360 -7.773 230 HB3 LYS 33 2HB LYS 33 -5.381 -9.344 -7.677 231 HG2 LYS 33 1HG LYS 33 -6.386 -10.728 -5.930 232 HG3 LYS 33 2HG LYS 33 -7.819 -9.703 -5.912 233 HD2 LYS 33 1HD LYS 33 -8.450 -11.542 -7.260 234 HD3 LYS 33 2HD LYS 33 -8.050 -10.275 -8.416 235 HE2 LYS 33 1HE LYS 33 -5.899 -11.254 -8.869 236 HE3 LYS 33 2HE LYS 33 -6.058 -12.379 -7.521 237 HZ1 LYS 33 3HZ LYS 33 -8.291 -12.688 -9.162 238 HZ2 LYS 33 1HZ LYS 33 -7.037 -13.796 -8.885 239 HZ3 LYS 33 2HZ LYS 33 -6.924 -12.691 -10.171 240 H LEU 34 H LEU 34 -3.233 -7.744 -5.377 241 HA LEU 34 HA LEU 34 -2.741 -5.713 -7.515 242 HB2 LEU 34 1HB LEU 34 -1.986 -5.487 -4.589 243 HB3 LEU 34 2HB LEU 34 -1.366 -4.426 -5.854 244 HG LEU 34 HG LEU 34 -4.315 -4.815 -5.273 245 HD11 LEU 34 1HD1 LEU 34 -3.058 -3.792 -3.364 246 HD12 LEU 34 2HD1 LEU 34 -4.240 -2.699 -4.085 247 HD13 LEU 34 3HD1 LEU 34 -2.525 -2.511 -4.454 248 HD21 LEU 34 3HD2 LEU 34 -4.270 -2.479 -6.508 249 HD22 LEU 34 1HD2 LEU 34 -4.200 -3.961 -7.455 250 HD23 LEU 34 2HD2 LEU 34 -2.724 -3.052 -7.134 251 H ALA 35 H ALA 35 -0.791 -5.950 -8.517 252 HA ALA 35 HA ALA 35 0.654 -8.407 -8.080 253 HB1 ALA 35 3HB ALA 35 0.674 -7.693 -10.307 254 HB2 ALA 35 1HB ALA 35 2.279 -7.203 -9.761 255 HB3 ALA 35 2HB ALA 35 0.979 -6.015 -9.869 256 H LYS 36 H LYS 36 2.326 -8.762 -6.728 257 HA LYS 36 HA LYS 36 3.317 -6.642 -5.004 258 HB2 LYS 36 1HB LYS 36 4.691 -8.425 -4.014 259 HB3 LYS 36 2HB LYS 36 3.025 -8.962 -4.214 260 HG2 LYS 36 1HG LYS 36 3.662 -10.062 -6.351 261 HG3 LYS 36 2HG LYS 36 5.340 -9.597 -6.067 262 HD2 LYS 36 1HD LYS 36 5.358 -10.874 -3.970 263 HD3 LYS 36 2HD LYS 36 3.667 -11.316 -4.213 264 HE2 LYS 36 1HE LYS 36 5.133 -13.143 -4.943 265 HE3 LYS 36 2HE LYS 36 4.281 -12.456 -6.324 266 HZ1 LYS 36 3HZ LYS 36 6.218 -11.163 -6.871 267 HZ2 LYS 36 1HZ LYS 36 6.655 -12.798 -6.756 268 HZ3 LYS 36 2HZ LYS 36 7.037 -11.727 -5.493 269 H ASP 37 H ASP 37 4.158 -7.724 -8.106 270 HA ASP 37 HA ASP 37 7.019 -7.145 -7.913 271 HB2 ASP 37 1HB ASP 37 5.160 -7.614 -10.266 272 HB3 ASP 37 2HB ASP 37 6.901 -7.372 -10.424 273 H LEU 38 H LEU 38 4.326 -5.217 -7.862 274 HA LEU 38 HA LEU 38 5.176 -3.124 -9.692 275 HB2 LEU 38 1HB LEU 38 3.119 -3.192 -7.478 276 HB3 LEU 38 2HB LEU 38 3.364 -1.807 -8.541 277 HG LEU 38 HG LEU 38 2.788 -4.599 -9.559 278 HD11 LEU 38 1HD1 LEU 38 0.920 -2.336 -8.842 279 HD12 LEU 38 2HD1 LEU 38 0.850 -4.016 -8.314 280 HD13 LEU 38 3HD1 LEU 38 0.463 -3.601 -9.984 281 HD21 LEU 38 3HD2 LEU 38 1.944 -3.081 -11.543 282 HD22 LEU 38 1HD2 LEU 38 3.669 -3.389 -11.370 283 HD23 LEU 38 2HD2 LEU 38 2.987 -1.861 -10.815 284 H THR 39 H THR 39 6.014 -1.075 -9.158 285 HA THR 39 HA THR 39 7.816 -1.097 -6.850 286 HB THR 39 HB THR 39 8.458 1.184 -7.802 287 HG1 THR 39 HG1 THR 39 6.272 0.542 -9.287 288 HG21 THR 39 3HG2 THR 39 8.603 -1.360 -9.427 289 HG22 THR 39 1HG2 THR 39 9.826 -0.694 -8.345 290 HG23 THR 39 2HG2 THR 39 9.478 0.103 -9.879 291 H VAL 40 H VAL 40 7.928 0.861 -5.422 292 HA VAL 40 HA VAL 40 5.420 1.339 -4.120 293 HB VAL 40 HB VAL 40 8.114 2.703 -3.930 294 HG11 VAL 40 1HG1 VAL 40 5.580 3.104 -2.334 295 HG12 VAL 40 2HG1 VAL 40 6.565 4.327 -3.134 296 HG13 VAL 40 3HG1 VAL 40 7.172 3.513 -1.692 297 HG21 VAL 40 3HG2 VAL 40 8.393 1.363 -1.942 298 HG22 VAL 40 1HG2 VAL 40 7.888 0.283 -3.240 299 HG23 VAL 40 2HG2 VAL 40 6.721 0.803 -2.022 300 H ALA 41 H ALA 41 7.404 3.364 -6.297 301 HA ALA 41 HA ALA 41 5.785 5.702 -6.170 302 HB1 ALA 41 3HB ALA 41 8.109 5.430 -7.199 303 HB2 ALA 41 1HB ALA 41 6.972 6.428 -8.107 304 HB3 ALA 41 2HB ALA 41 7.294 4.770 -8.619 305 H GLN 42 H GLN 42 5.631 2.881 -8.339 306 HA GLN 42 HA GLN 42 3.497 3.883 -9.969 307 HB2 GLN 42 1HB GLN 42 4.435 1.075 -9.338 308 HB3 GLN 42 2HB GLN 42 3.153 1.422 -10.500 309 HG2 GLN 42 1HG GLN 42 4.676 2.807 -11.819 310 HG3 GLN 42 2HG GLN 42 5.960 2.568 -10.633 311 HE21 GLN 42 2HE2 GLN 42 4.890 1.430 -13.587 312 HE22 GLN 42 1HE2 GLN 42 5.563 -0.127 -13.539 313 H LEU 43 H LEU 43 3.586 2.123 -6.912 314 HA LEU 43 HA LEU 43 0.816 1.460 -6.786 315 HB2 LEU 43 1HB LEU 43 2.508 0.501 -5.254 316 HB3 LEU 43 2HB LEU 43 2.738 2.085 -4.519 317 HG LEU 43 HG LEU 43 0.378 2.103 -3.795 318 HD11 LEU 43 1HD1 LEU 43 0.312 -0.463 -5.367 319 HD12 LEU 43 2HD1 LEU 43 -0.869 0.846 -5.316 320 HD13 LEU 43 3HD1 LEU 43 -0.751 -0.282 -3.970 321 HD21 LEU 43 3HD2 LEU 43 2.238 1.047 -2.419 322 HD22 LEU 43 1HD2 LEU 43 1.664 -0.516 -3.000 323 HD23 LEU 43 2HD2 LEU 43 0.607 0.502 -2.025 324 H LYS 44 H LYS 44 2.623 4.345 -5.766 325 HA LYS 44 HA LYS 44 0.460 5.696 -4.504 326 HB2 LYS 44 1HB LYS 44 2.899 6.748 -5.965 327 HB3 LYS 44 2HB LYS 44 1.788 7.780 -5.065 328 HG2 LYS 44 1HG LYS 44 2.229 6.470 -3.015 329 HG3 LYS 44 2HG LYS 44 3.341 5.438 -3.916 330 HD2 LYS 44 1HD LYS 44 4.747 7.402 -4.433 331 HD3 LYS 44 2HD LYS 44 3.645 8.429 -3.516 332 HE2 LYS 44 1HE LYS 44 5.202 6.082 -2.390 333 HE3 LYS 44 2HE LYS 44 5.599 7.783 -2.148 334 HZ1 LYS 44 3HZ LYS 44 4.297 7.623 -0.362 335 HZ2 LYS 44 1HZ LYS 44 3.581 6.175 -0.880 336 HZ3 LYS 44 2HZ LYS 44 2.992 7.663 -1.450 337 H THR 45 H THR 45 1.516 5.577 -7.891 338 HA THR 45 HA THR 45 -0.298 7.527 -8.910 339 HB THR 45 HB THR 45 0.834 5.036 -10.226 340 HG1 THR 45 HG1 THR 45 2.575 6.174 -10.116 341 HG21 THR 45 3HG2 THR 45 -0.579 7.467 -11.336 342 HG22 THR 45 1HG2 THR 45 -1.010 5.771 -11.552 343 HG23 THR 45 2HG2 THR 45 0.436 6.419 -12.327 344 H LYS 46 H LYS 46 -0.626 3.993 -8.530 345 HA LYS 46 HA LYS 46 -3.270 3.802 -9.602 346 HB2 LYS 46 1HB LYS 46 -1.723 1.884 -9.206 347 HB3 LYS 46 2HB LYS 46 -1.974 2.073 -7.472 348 HG2 LYS 46 1HG LYS 46 -4.392 1.713 -7.777 349 HG3 LYS 46 2HG LYS 46 -4.148 1.507 -9.511 350 HD2 LYS 46 1HD LYS 46 -2.711 -0.206 -7.474 351 HD3 LYS 46 2HD LYS 46 -4.299 -0.641 -8.099 352 HE2 LYS 46 1HE LYS 46 -3.291 -0.441 -10.439 353 HE3 LYS 46 2HE LYS 46 -1.715 -0.354 -9.653 354 HZ1 LYS 46 3HZ LYS 46 -2.761 -2.634 -10.376 355 HZ2 LYS 46 1HZ LYS 46 -3.517 -2.514 -8.863 356 HZ3 LYS 46 2HZ LYS 46 -1.822 -2.497 -8.967 357 H LEU 47 H LEU 47 -2.052 4.260 -6.293 358 HA LEU 47 HA LEU 47 -4.605 4.258 -5.006 359 HB2 LEU 47 1HB LEU 47 -1.967 5.563 -4.278 360 HB3 LEU 47 2HB LEU 47 -3.366 5.558 -3.208 361 HG LEU 47 HG LEU 47 -2.139 3.032 -4.359 362 HD11 LEU 47 1HD1 LEU 47 -1.109 2.751 -2.105 363 HD12 LEU 47 2HD1 LEU 47 -1.652 4.375 -1.682 364 HD13 LEU 47 3HD1 LEU 47 -0.470 4.147 -2.973 365 HD21 LEU 47 3HD2 LEU 47 -4.300 3.639 -2.340 366 HD22 LEU 47 1HD2 LEU 47 -3.345 2.165 -2.165 367 HD23 LEU 47 2HD2 LEU 47 -4.283 2.436 -3.628 368 H GLU 48 H GLU 48 -2.678 6.821 -6.524 369 HA GLU 48 HA GLU 48 -4.170 9.066 -5.721 370 HB2 GLU 48 1HB GLU 48 -2.064 9.143 -7.057 371 HB3 GLU 48 2HB GLU 48 -2.969 8.581 -8.463 372 HG2 GLU 48 1HG GLU 48 -4.419 10.560 -8.344 373 HG3 GLU 48 2HG GLU 48 -3.556 11.119 -6.911 374 H ILE 49 H ILE 49 -4.744 6.895 -8.513 375 HA ILE 49 HA ILE 49 -7.065 8.286 -9.437 376 HB ILE 49 HB ILE 49 -6.254 5.370 -9.688 377 HG12 ILE 49 1HG1 ILE 49 -6.169 7.623 -11.717 378 HG13 ILE 49 2HG1 ILE 49 -4.791 7.173 -10.712 379 HG21 ILE 49 1HG2 ILE 49 -8.517 6.941 -10.943 380 HG22 ILE 49 2HG2 ILE 49 -8.619 5.425 -10.049 381 HG23 ILE 49 3HG2 ILE 49 -7.891 5.455 -11.654 382 HD11 ILE 49 3HD1 ILE 49 -6.239 5.371 -12.672 383 HD12 ILE 49 1HD1 ILE 49 -4.932 4.855 -11.607 384 HD13 ILE 49 2HD1 ILE 49 -4.622 6.044 -12.873 385 H LEU 50 H LEU 50 -6.668 5.569 -7.164 386 HA LEU 50 HA LEU 50 -9.459 5.172 -6.701 387 HB2 LEU 50 1HB LEU 50 -7.724 3.511 -6.120 388 HB3 LEU 50 2HB LEU 50 -7.108 4.593 -4.874 389 HG LEU 50 HG LEU 50 -9.283 4.492 -3.703 390 HD11 LEU 50 1HD1 LEU 50 -10.963 4.111 -5.268 391 HD12 LEU 50 2HD1 LEU 50 -10.792 2.496 -4.587 392 HD13 LEU 50 3HD1 LEU 50 -10.036 2.885 -6.133 393 HD21 LEU 50 3HD2 LEU 50 -9.144 2.076 -3.044 394 HD22 LEU 50 1HD2 LEU 50 -7.580 2.891 -3.060 395 HD23 LEU 50 2HD2 LEU 50 -8.030 1.819 -4.386 396 H THR 51 H THR 51 -7.043 7.107 -4.880 397 HA THR 51 HA THR 51 -9.288 8.259 -3.257 398 HB THR 51 HB THR 51 -7.493 8.982 -1.719 399 HG1 THR 51 HG1 THR 51 -5.618 9.172 -2.614 400 HG21 THR 51 3HG2 THR 51 -8.516 6.635 -1.636 401 HG22 THR 51 1HG2 THR 51 -6.955 6.832 -0.836 402 HG23 THR 51 2HG2 THR 51 -7.042 6.079 -2.428 403 H GLY 52 H GLY 52 -6.332 9.251 -5.029 404 HA2 GLY 52 1HA GLY 52 -5.990 11.222 -6.290 405 HA3 GLY 52 2HA GLY 52 -7.678 11.651 -5.991 406 H GLY 53 H GLY 53 -5.655 10.826 -3.287 407 HA2 GLY 53 1HA GLY 53 -6.013 13.533 -2.200 408 HA3 GLY 53 2HA GLY 53 -5.289 12.162 -1.357 409 H CYS 54 H CYS 54 -4.314 13.260 -4.558 410 HA CYS 54 HA CYS 54 -2.305 14.131 -5.355 411 HB2 CYS 54 1HB CYS 54 -1.705 15.087 -2.556 412 HB3 CYS 54 2HB CYS 54 -1.218 15.803 -4.090 413 HG CYS 54 HG CYS 54 -4.261 15.723 -3.508 414 H ALA 55 H ALA 55 -0.946 12.531 -5.882 415 HA ALA 55 HA ALA 55 0.028 10.497 -4.148 416 HB1 ALA 55 3HB ALA 55 1.657 10.053 -5.977 417 HB2 ALA 55 1HB ALA 55 1.177 11.568 -6.743 418 HB3 ALA 55 2HB ALA 55 0.013 10.253 -6.583 419 H GLY 56 H GLY 56 1.357 13.655 -5.048 420 HA2 GLY 56 1HA GLY 56 3.962 13.283 -3.954 421 HA3 GLY 56 2HA GLY 56 3.183 14.848 -4.186 422 H THR 57 H THR 57 0.901 14.252 -2.453 423 HA THR 57 HA THR 57 2.273 14.605 0.167 424 HB THR 57 HB THR 57 -0.676 14.979 -0.404 425 HG1 THR 57 HG1 THR 57 -0.233 17.005 -1.085 426 HG21 THR 57 3HG2 THR 57 1.270 16.183 1.582 427 HG22 THR 57 1HG2 THR 57 0.002 15.011 1.938 428 HG23 THR 57 2HG2 THR 57 -0.425 16.644 1.426 429 H MET 58 H MET 58 0.615 12.240 -1.644 430 HA MET 58 HA MET 58 -0.773 10.875 0.479 431 HB2 MET 58 1HB MET 58 -1.126 10.520 -2.007 432 HB3 MET 58 2HB MET 58 0.394 9.628 -2.021 433 HG2 MET 58 1HG MET 58 -0.562 8.148 -0.211 434 HG3 MET 58 2HG MET 58 -2.110 8.951 -0.473 435 HE1 MET 58 3HE MET 58 -3.352 7.952 -3.816 436 HE2 MET 58 1HE MET 58 -2.333 9.389 -3.667 437 HE3 MET 58 2HE MET 58 -3.460 8.964 -2.379 438 H LYS 59 H LYS 59 -0.046 9.271 1.874 439 HA LYS 59 HA LYS 59 2.836 8.450 1.674 440 HB2 LYS 59 1HB LYS 59 1.258 9.198 4.142 441 HB3 LYS 59 2HB LYS 59 2.850 8.437 4.179 442 HG2 LYS 59 1HG LYS 59 3.735 10.329 2.811 443 HG3 LYS 59 2HG LYS 59 2.161 11.111 2.926 444 HD2 LYS 59 1HD LYS 59 3.779 10.289 5.350 445 HD3 LYS 59 2HD LYS 59 3.888 11.890 4.623 446 HE2 LYS 59 1HE LYS 59 1.330 12.009 4.901 447 HE3 LYS 59 2HE LYS 59 1.497 10.605 5.955 448 HZ1 LYS 59 3HZ LYS 59 2.722 13.279 6.301 449 HZ2 LYS 59 1HZ LYS 59 3.196 11.922 7.202 450 HZ3 LYS 59 2HZ LYS 59 1.606 12.506 7.322 451 H VAL 60 H VAL 60 3.255 6.295 2.231 452 HA VAL 60 HA VAL 60 0.831 4.547 2.552 453 HB VAL 60 HB VAL 60 3.504 4.086 1.196 454 HG11 VAL 60 1HG1 VAL 60 3.073 2.023 2.291 455 HG12 VAL 60 2HG1 VAL 60 2.441 1.804 0.659 456 HG13 VAL 60 3HG1 VAL 60 1.338 2.135 1.995 457 HG21 VAL 60 3HG2 VAL 60 0.623 4.159 0.260 458 HG22 VAL 60 1HG2 VAL 60 1.947 3.550 -0.732 459 HG23 VAL 60 2HG2 VAL 60 1.934 5.237 -0.217 460 H GLN 61 H GLN 61 0.753 3.299 4.364 461 HA GLN 61 HA GLN 61 3.282 2.848 5.909 462 HB2 GLN 61 1HB GLN 61 0.614 3.824 6.956 463 HB3 GLN 61 2HB GLN 61 1.888 3.177 7.993 464 HG2 GLN 61 1HG GLN 61 3.442 4.897 7.196 465 HG3 GLN 61 2HG GLN 61 2.209 5.526 6.103 466 HE21 GLN 61 2HE2 GLN 61 3.547 5.980 9.159 467 HE22 GLN 61 1HE2 GLN 61 2.268 6.831 9.878 468 H VAL 62 H VAL 62 3.513 0.764 6.550 469 HA VAL 62 HA VAL 62 1.371 -1.145 5.835 470 HB VAL 62 HB VAL 62 4.175 -1.604 6.901 471 HG11 VAL 62 1HG1 VAL 62 2.135 -3.491 5.679 472 HG12 VAL 62 2HG1 VAL 62 2.692 -3.504 7.353 473 HG13 VAL 62 3HG1 VAL 62 3.806 -3.915 6.050 474 HG21 VAL 62 3HG2 VAL 62 3.032 -1.691 4.091 475 HG22 VAL 62 1HG2 VAL 62 4.659 -2.211 4.532 476 HG23 VAL 62 2HG2 VAL 62 4.197 -0.519 4.709 477 H PHE 63 H PHE 63 0.081 -2.123 7.327 478 HA PHE 63 HA PHE 63 0.808 -1.888 10.226 479 HB2 PHE 63 1HB PHE 63 -1.829 -1.329 8.863 480 HB3 PHE 63 2HB PHE 63 -1.741 -1.733 10.577 481 HD1 PHE 63 HD1 PHE 63 -0.133 -0.362 12.048 482 HD2 PHE 63 HD2 PHE 63 -1.436 0.893 8.152 483 HE1 PHE 63 HE1 PHE 63 0.478 1.975 12.599 484 HE2 PHE 63 HE2 PHE 63 -0.824 3.231 8.703 485 HZ PHE 63 HZ PHE 63 0.133 3.773 10.926 486 H LYS 64 H LYS 64 0.214 -3.643 11.508 487 HA LYS 64 HA LYS 64 -1.137 -5.935 10.190 488 HB2 LYS 64 1HB LYS 64 1.455 -6.073 10.013 489 HB3 LYS 64 2HB LYS 64 1.417 -6.370 11.753 490 HG2 LYS 64 1HG LYS 64 -0.004 -8.320 11.439 491 HG3 LYS 64 2HG LYS 64 -0.163 -7.979 9.719 492 HD2 LYS 64 1HD LYS 64 1.491 -9.712 9.944 493 HD3 LYS 64 2HD LYS 64 2.341 -8.227 9.517 494 HE2 LYS 64 1HE LYS 64 3.152 -7.922 11.719 495 HE3 LYS 64 2HE LYS 64 1.980 -9.049 12.401 496 HZ1 LYS 64 3HZ LYS 64 3.243 -10.802 11.882 497 HZ2 LYS 64 1HZ LYS 64 4.511 -9.680 11.780 498 HZ3 LYS 64 2HZ LYS 64 3.698 -10.173 10.372 499 H GLY 65 H GLY 65 -2.892 -5.715 11.579 500 HA2 GLY 65 1HA GLY 65 -4.059 -6.304 13.542 501 HA3 GLY 65 2HA GLY 65 -2.522 -6.772 14.269 502 H ASP 66 H ASP 66 -1.392 -5.267 15.505 503 HA ASP 66 HA ASP 66 -2.587 -2.533 15.791 504 HB2 ASP 66 1HB ASP 66 -3.347 -4.121 17.610 505 HB3 ASP 66 2HB ASP 66 -1.659 -4.279 18.091 506 H THR 67 H THR 67 -0.096 -3.744 14.482 507 HA THR 67 HA THR 67 1.833 -1.876 15.784 508 HB THR 67 HB THR 67 2.188 -4.283 16.563 509 HG1 THR 67 HG1 THR 67 3.800 -2.449 16.194 510 HG21 THR 67 3HG2 THR 67 3.367 -4.689 13.817 511 HG22 THR 67 1HG2 THR 67 1.716 -5.184 14.191 512 HG23 THR 67 2HG2 THR 67 3.071 -5.892 15.072 513 H CYS 68 H CYS 68 3.264 -0.904 14.360 514 HA CYS 68 HA CYS 68 2.556 -1.128 11.505 515 HB2 CYS 68 1HB CYS 68 2.799 1.093 12.591 516 HB3 CYS 68 2HB CYS 68 4.497 0.733 12.898 517 HG CYS 68 HG CYS 68 3.772 2.015 10.473 518 H VAL 69 H VAL 69 3.678 -2.481 10.196 519 HA VAL 69 HA VAL 69 6.059 -3.859 11.019 520 HB VAL 69 HB VAL 69 4.848 -3.430 8.272 521 HG11 VAL 69 1HG1 VAL 69 7.120 -5.176 9.230 522 HG12 VAL 69 2HG1 VAL 69 7.116 -4.033 7.888 523 HG13 VAL 69 3HG1 VAL 69 6.212 -5.542 7.762 524 HG21 VAL 69 3HG2 VAL 69 4.666 -5.670 10.310 525 HG22 VAL 69 1HG2 VAL 69 4.091 -5.805 8.647 526 HG23 VAL 69 2HG2 VAL 69 3.353 -4.637 9.743 527 H SER 70 H SER 70 5.507 -1.092 8.834 528 HA SER 70 HA SER 70 7.825 0.336 9.507 529 HB2 SER 70 1HB SER 70 8.278 -1.792 7.441 530 HB3 SER 70 2HB SER 70 9.093 -0.247 7.230 531 HG SER 70 HG SER 70 9.822 -0.528 9.445 532 H THR 71 H THR 71 8.395 1.965 7.711 533 HA THR 71 HA THR 71 5.902 2.641 6.183 534 HB THR 71 HB THR 71 8.110 4.407 7.281 535 HG1 THR 71 HG1 THR 71 6.137 5.249 8.364 536 HG21 THR 71 3HG2 THR 71 5.764 4.970 5.467 537 HG22 THR 71 1HG2 THR 71 7.451 5.447 5.262 538 HG23 THR 71 2HG2 THR 71 6.456 6.226 6.492 539 H MET 72 H MET 72 6.072 2.622 3.995 540 HA MET 72 HA MET 72 8.459 1.783 2.667 541 HB2 MET 72 1HB MET 72 5.933 3.107 1.644 542 HB3 MET 72 2HB MET 72 7.206 2.496 0.585 543 HG2 MET 72 1HG MET 72 6.949 0.246 1.579 544 HG3 MET 72 2HG MET 72 5.668 0.857 2.625 545 HE1 MET 72 3HE MET 72 5.064 -1.617 0.973 546 HE2 MET 72 1HE MET 72 3.479 -1.204 0.306 547 HE3 MET 72 2HE MET 72 3.892 -0.742 1.954 548 H ASP 73 H ASP 73 10.054 3.309 3.509 549 HA ASP 73 HA ASP 73 9.810 6.135 2.662 550 HB2 ASP 73 1HB ASP 73 11.955 6.398 3.891 551 HB3 ASP 73 2HB ASP 73 10.716 5.642 4.894 552 H ASN 74 H ASN 74 11.343 3.170 1.670 553 HA ASN 74 HA ASN 74 13.177 4.611 -0.176 554 HB2 ASN 74 1HB ASN 74 14.089 2.721 1.091 555 HB3 ASN 74 2HB ASN 74 12.853 1.656 0.422 556 HD21 ASN 74 2HD2 ASN 74 15.849 3.374 -0.313 557 HD22 ASN 74 1HD2 ASN 74 16.098 2.666 -1.834 558 H ASN 75 H ASN 75 12.082 5.319 -1.942 559 HA ASN 75 HA ASN 75 9.793 4.057 -3.103 560 HB2 ASN 75 1HB ASN 75 11.793 6.053 -4.187 561 HB3 ASN 75 2HB ASN 75 10.347 5.561 -5.068 562 HD21 ASN 75 2HD2 ASN 75 8.796 5.335 -2.426 563 HD22 ASN 75 1HD2 ASN 75 8.463 6.940 -1.996 564 H ASP 76 H ASP 76 13.258 3.854 -3.788 565 HA ASP 76 HA ASP 76 13.071 2.363 -6.212 566 HB2 ASP 76 1HB ASP 76 15.133 3.490 -5.211 567 HB3 ASP 76 2HB ASP 76 15.256 2.100 -4.132 568 H ALA 77 H ALA 77 12.017 1.533 -3.159 569 HA ALA 77 HA ALA 77 12.760 -1.301 -3.231 570 HB1 ALA 77 3HB ALA 77 11.438 -1.487 -1.206 571 HB2 ALA 77 1HB ALA 77 10.709 0.095 -1.491 572 HB3 ALA 77 2HB ALA 77 12.425 -0.031 -1.103 573 H GLN 78 H GLN 78 11.215 -3.036 -3.482 574 HA GLN 78 HA GLN 78 9.098 -2.379 -5.433 575 HB2 GLN 78 1HB GLN 78 10.233 -4.998 -4.438 576 HB3 GLN 78 2HB GLN 78 8.900 -4.886 -5.588 577 HG2 GLN 78 1HG GLN 78 10.311 -3.595 -7.128 578 HG3 GLN 78 2HG GLN 78 11.646 -3.666 -5.976 579 HE21 GLN 78 2HE2 GLN 78 10.414 -5.189 -8.706 580 HE22 GLN 78 1HE2 GLN 78 11.163 -6.702 -8.523 581 H LEU 79 H LEU 79 6.939 -3.383 -5.175 582 HA LEU 79 HA LEU 79 5.761 -2.735 -2.658 583 HB2 LEU 79 1HB LEU 79 4.493 -2.688 -4.769 584 HB3 LEU 79 2HB LEU 79 4.683 -4.431 -4.934 585 HG LEU 79 HG LEU 79 3.384 -4.806 -2.896 586 HD11 LEU 79 1HD1 LEU 79 3.572 -1.807 -2.693 587 HD12 LEU 79 2HD1 LEU 79 3.802 -3.025 -1.441 588 HD13 LEU 79 3HD1 LEU 79 2.176 -2.636 -1.998 589 HD21 LEU 79 3HD2 LEU 79 2.095 -4.656 -4.941 590 HD22 LEU 79 1HD2 LEU 79 2.112 -2.895 -4.880 591 HD23 LEU 79 2HD2 LEU 79 1.197 -3.809 -3.683 592 H GLY 80 H GLY 80 6.743 -5.837 -4.106 593 HA2 GLY 80 1HA GLY 80 5.689 -7.417 -1.912 594 HA3 GLY 80 2HA GLY 80 6.805 -7.993 -3.153 595 H TYR 81 H TYR 81 8.284 -5.323 -2.128 596 HA TYR 81 HA TYR 81 10.325 -6.699 -0.681 597 HB2 TYR 81 1HB TYR 81 10.563 -4.502 -1.910 598 HB3 TYR 81 2HB TYR 81 9.709 -3.733 -0.573 599 HD1 TYR 81 HD1 TYR 81 10.695 -3.767 1.728 600 HD2 TYR 81 HD2 TYR 81 12.843 -5.195 -1.706 601 HE1 TYR 81 HE1 TYR 81 12.819 -3.643 3.003 602 HE2 TYR 81 HE2 TYR 81 14.964 -5.074 -0.431 603 HH TYR 81 HH TYR 81 15.643 -5.138 2.013 604 H TYR 82 H TYR 82 7.622 -4.641 0.397 605 HA TYR 82 HA TYR 82 8.162 -5.451 3.230 606 HB2 TYR 82 1HB TYR 82 6.444 -3.210 2.111 607 HB3 TYR 82 2HB TYR 82 6.717 -3.539 3.822 608 HD1 TYR 82 HD1 TYR 82 9.122 -3.492 4.702 609 HD2 TYR 82 HD2 TYR 82 7.990 -1.913 0.870 610 HE1 TYR 82 HE1 TYR 82 11.210 -2.157 4.634 611 HE2 TYR 82 HE2 TYR 82 10.079 -0.578 0.803 612 HH TYR 82 HH TYR 82 12.028 -0.167 1.796 613 H ALA 83 H ALA 83 5.834 -5.582 0.617 614 HA ALA 83 HA ALA 83 3.826 -6.892 2.397 615 HB1 ALA 83 3HB ALA 83 3.125 -5.027 0.846 616 HB2 ALA 83 1HB ALA 83 2.251 -6.541 0.600 617 HB3 ALA 83 2HB ALA 83 3.540 -6.075 -0.511 618 H ASN 84 H ASN 84 5.694 -8.639 2.344 619 HA ASN 84 HA ASN 84 5.526 -10.347 -0.084 620 HB2 ASN 84 1HB ASN 84 7.358 -11.615 0.947 621 HB3 ASN 84 2HB ASN 84 7.757 -9.898 0.902 622 HD21 ASN 84 2HD2 ASN 84 9.269 -10.697 2.764 623 HD22 ASN 84 1HD2 ASN 84 8.619 -10.672 4.331 624 H SER 85 H SER 85 3.592 -9.934 2.471 625 HA SER 85 HA SER 85 2.863 -12.833 2.565 626 HB2 SER 85 1HB SER 85 4.156 -12.233 4.625 627 HB3 SER 85 2HB SER 85 2.934 -11.020 4.994 628 HG SER 85 HG SER 85 1.400 -12.822 4.835 629 H ASP 86 H ASP 86 0.672 -13.205 2.574 630 HA ASP 86 HA ASP 86 -1.049 -10.951 1.872 631 HB2 ASP 86 1HB ASP 86 -1.704 -13.879 2.311 632 HB3 ASP 86 2HB ASP 86 -2.775 -12.683 1.579 633 H GLY 87 H GLY 87 -3.148 -10.585 2.983 634 HA2 GLY 87 1HA GLY 87 -4.560 -10.603 4.920 635 HA3 GLY 87 2HA GLY 87 -3.296 -11.452 5.813 636 H LEU 88 H LEU 88 -1.728 -9.058 4.206 637 HA LEU 88 HA LEU 88 -1.426 -7.466 6.624 638 HB2 LEU 88 1HB LEU 88 -0.373 -7.049 3.812 639 HB3 LEU 88 2HB LEU 88 0.112 -6.105 5.220 640 HG LEU 88 HG LEU 88 0.414 -9.113 4.973 641 HD11 LEU 88 1HD1 LEU 88 2.581 -7.002 4.857 642 HD12 LEU 88 2HD1 LEU 88 1.844 -7.706 3.418 643 HD13 LEU 88 3HD1 LEU 88 2.742 -8.729 4.539 644 HD21 LEU 88 3HD2 LEU 88 1.046 -7.095 7.122 645 HD22 LEU 88 1HD2 LEU 88 2.089 -8.506 6.941 646 HD23 LEU 88 2HD2 LEU 88 0.376 -8.719 7.278 647 H ARG 89 H ARG 89 -1.863 -5.181 6.777 648 HA ARG 89 HA ARG 89 -4.170 -4.299 5.061 649 HB2 ARG 89 1HB ARG 89 -4.733 -4.715 7.452 650 HB3 ARG 89 2HB ARG 89 -3.518 -3.529 7.924 651 HG2 ARG 89 1HG ARG 89 -4.713 -1.782 6.671 652 HG3 ARG 89 2HG ARG 89 -5.923 -2.963 6.163 653 HD2 ARG 89 1HD ARG 89 -6.443 -3.386 8.579 654 HD3 ARG 89 2HD ARG 89 -5.337 -2.077 9.004 655 HE ARG 89 HE ARG 89 -7.235 -1.118 7.090 656 HH11 ARG 89 1HH2 ARG 89 -6.916 -2.172 10.357 657 HH12 ARG 89 2HH2 ARG 89 -8.215 -1.187 10.941 658 HH21 ARG 89 1HH1 ARG 89 -8.932 0.174 7.833 659 HH22 ARG 89 2HH1 ARG 89 -9.359 0.140 9.511 660 H LEU 90 H LEU 90 -3.757 -2.560 3.834 661 HA LEU 90 HA LEU 90 -1.351 -0.885 4.437 662 HB2 LEU 90 1HB LEU 90 -2.972 -1.138 1.882 663 HB3 LEU 90 2HB LEU 90 -1.468 -0.236 2.076 664 HG LEU 90 HG LEU 90 -1.785 -3.228 2.461 665 HD11 LEU 90 1HD1 LEU 90 -0.549 -3.446 0.385 666 HD12 LEU 90 2HD1 LEU 90 -0.352 -1.696 0.273 667 HD13 LEU 90 3HD1 LEU 90 -1.951 -2.416 0.095 668 HD21 LEU 90 3HD2 LEU 90 0.509 -1.306 2.843 669 HD22 LEU 90 1HD2 LEU 90 0.840 -2.964 2.336 670 HD23 LEU 90 2HD2 LEU 90 0.009 -2.658 3.858 671 H HIS 91 H HIS 91 -1.653 1.193 5.052 672 HA HIS 91 HA HIS 91 -4.407 2.366 4.781 673 HB2 HIS 91 1HB HIS 91 -3.740 1.827 7.128 674 HB3 HIS 91 2HB HIS 91 -2.357 2.908 6.948 675 HD1 HIS 91 HD1 HIS 91 -6.150 3.058 6.547 676 HD2 HIS 91 HD2 HIS 91 -2.953 5.527 7.582 677 HE1 HIS 91 HE1 HIS 91 -7.152 5.290 7.205 678 H VAL 92 H VAL 92 -4.496 4.201 3.621 679 HA VAL 92 HA VAL 92 -1.934 5.530 2.849 680 HB VAL 92 HB VAL 92 -4.727 5.556 1.668 681 HG11 VAL 92 1HG1 VAL 92 -3.965 7.764 1.293 682 HG12 VAL 92 2HG1 VAL 92 -3.499 6.905 -0.176 683 HG13 VAL 92 3HG1 VAL 92 -2.297 7.239 1.069 684 HG21 VAL 92 3HG2 VAL 92 -3.520 4.559 -0.275 685 HG22 VAL 92 1HG2 VAL 92 -3.403 3.559 1.172 686 HG23 VAL 92 2HG2 VAL 92 -2.036 4.559 0.679 687 H VAL 93 H VAL 93 -1.492 7.531 3.646 688 HA VAL 93 HA VAL 93 -3.660 8.964 5.152 689 HB VAL 93 HB VAL 93 -0.647 9.061 5.468 690 HG11 VAL 93 1HG1 VAL 93 -1.323 10.352 7.572 691 HG12 VAL 93 2HG1 VAL 93 -2.913 10.527 6.830 692 HG13 VAL 93 3HG1 VAL 93 -1.492 11.216 6.044 693 HG21 VAL 93 3HG2 VAL 93 -1.231 8.043 7.705 694 HG22 VAL 93 1HG2 VAL 93 -1.545 6.988 6.327 695 HG23 VAL 93 2HG2 VAL 93 -2.879 7.836 7.111 696 H ASP 94 H ASP 94 -4.475 10.535 3.872 697 HA ASP 94 HA ASP 94 -2.694 11.944 1.949 698 HB2 ASP 94 1HB ASP 94 -5.702 11.969 2.334 699 HB3 ASP 94 2HB ASP 94 -4.843 12.896 1.104 700 H SER 95 H SER 95 -2.241 14.134 2.139 701 HA SER 95 HA SER 95 -1.835 16.126 3.316 702 HB2 SER 95 1HB SER 95 -4.174 16.465 2.492 703 HB3 SER 95 2HB SER 95 -4.770 15.803 4.012 704 HG SER 95 HG SER 95 -2.989 17.613 4.647 Start of MODEL 13 1 H1 MET 1 1H MET 1 10.179 -34.748 -9.033 2 H2 MET 1 2H MET 1 9.034 -33.494 -8.977 3 H3 MET 1 3H MET 1 10.563 -33.223 -9.667 4 HA MET 1 HA MET 1 9.911 -33.938 -11.641 5 HB2 MET 1 1HB MET 1 8.756 -36.268 -10.090 6 HB3 MET 1 2HB MET 1 8.756 -36.173 -11.851 7 HG2 MET 1 1HG MET 1 11.234 -35.942 -11.812 8 HG3 MET 1 2HG MET 1 11.207 -36.123 -10.060 9 HE1 MET 1 3HE MET 1 10.458 -37.908 -8.799 10 HE2 MET 1 1HE MET 1 10.343 -39.606 -9.272 11 HE3 MET 1 2HE MET 1 8.980 -38.524 -9.528 12 H GLY 2 H GLY 2 8.562 -31.951 -11.261 13 HA2 GLY 2 1HA GLY 2 6.542 -30.952 -12.002 14 HA3 GLY 2 2HA GLY 2 5.766 -32.535 -11.960 15 H HIS 3 H HIS 3 7.312 -32.433 -9.126 16 HA HIS 3 HA HIS 3 4.927 -32.023 -7.576 17 HB2 HIS 3 1HB HIS 3 7.851 -32.226 -6.785 18 HB3 HIS 3 2HB HIS 3 6.530 -32.135 -5.620 19 HD1 HIS 3 HD1 HIS 3 4.637 -34.075 -5.909 20 HD2 HIS 3 HD2 HIS 3 8.313 -34.802 -7.733 21 HE1 HIS 3 HE1 HIS 3 4.712 -36.557 -6.401 22 H HIS 4 H HIS 4 7.767 -30.023 -8.247 23 HA HIS 4 HA HIS 4 7.006 -27.871 -6.472 24 HB2 HIS 4 1HB HIS 4 8.941 -28.018 -8.805 25 HB3 HIS 4 2HB HIS 4 8.721 -26.572 -7.820 26 HD1 HIS 4 HD1 HIS 4 9.946 -30.152 -7.571 27 HD2 HIS 4 HD2 HIS 4 9.931 -26.663 -5.288 28 HE1 HIS 4 HE1 HIS 4 11.487 -30.574 -5.604 29 H HIS 5 H HIS 5 5.808 -26.093 -6.876 30 HA HIS 5 HA HIS 5 4.252 -26.035 -9.408 31 HB2 HIS 5 1HB HIS 5 3.899 -24.546 -6.783 32 HB3 HIS 5 2HB HIS 5 2.832 -24.393 -8.179 33 HD1 HIS 5 HD1 HIS 5 1.638 -26.691 -8.968 34 HD2 HIS 5 HD2 HIS 5 3.308 -26.723 -5.148 35 HE1 HIS 5 HE1 HIS 5 0.611 -28.662 -7.753 36 H HIS 6 H HIS 6 3.788 -23.843 -10.278 37 HA HIS 6 HA HIS 6 4.449 -21.819 -11.220 38 HB2 HIS 6 1HB HIS 6 4.930 -21.288 -8.738 39 HB3 HIS 6 2HB HIS 6 6.618 -21.623 -9.122 40 HD1 HIS 6 HD1 HIS 6 7.812 -20.030 -10.820 41 HD2 HIS 6 HD2 HIS 6 3.937 -18.861 -9.817 42 HE1 HIS 6 HE1 HIS 6 7.549 -17.644 -11.632 43 H HIS 7 H HIS 7 7.019 -24.035 -10.247 44 HA HIS 7 HA HIS 7 9.011 -23.136 -12.099 45 HB2 HIS 7 1HB HIS 7 8.560 -25.787 -10.695 46 HB3 HIS 7 2HB HIS 7 9.952 -25.483 -11.732 47 HD1 HIS 7 HD1 HIS 7 8.314 -24.118 -8.581 48 HD2 HIS 7 HD2 HIS 7 12.017 -24.090 -10.495 49 HE1 HIS 7 HE1 HIS 7 9.944 -23.031 -6.974 50 H HIS 8 H HIS 8 6.506 -25.650 -12.262 51 HA HIS 8 HA HIS 8 7.214 -26.226 -15.088 52 HB2 HIS 8 1HB HIS 8 5.258 -27.516 -13.159 53 HB3 HIS 8 2HB HIS 8 5.413 -27.986 -14.852 54 HD1 HIS 8 HD1 HIS 8 7.206 -28.141 -11.559 55 HD2 HIS 8 HD2 HIS 8 7.834 -29.352 -15.499 56 HE1 HIS 8 HE1 HIS 8 9.191 -29.716 -11.518 57 H SER 9 H SER 9 4.809 -26.870 -16.147 58 HA SER 9 HA SER 9 3.711 -24.283 -16.827 59 HB2 SER 9 1HB SER 9 2.978 -27.121 -17.579 60 HB3 SER 9 2HB SER 9 2.076 -25.726 -18.167 61 HG SER 9 HG SER 9 3.814 -25.054 -19.275 62 H HIS 10 H HIS 10 1.269 -24.043 -16.895 63 HA HIS 10 HA HIS 10 -0.708 -23.663 -15.741 64 HB2 HIS 10 1HB HIS 10 -1.017 -26.068 -15.983 65 HB3 HIS 10 2HB HIS 10 -0.047 -26.362 -14.541 66 HD1 HIS 10 HD1 HIS 10 -3.249 -24.546 -15.538 67 HD2 HIS 10 HD2 HIS 10 -1.499 -26.303 -12.186 68 HE1 HIS 10 HE1 HIS 10 -4.998 -24.495 -13.707 69 H GLY 11 H GLY 11 0.232 -21.872 -14.648 70 HA2 GLY 11 1HA GLY 11 -0.071 -21.894 -11.831 71 HA3 GLY 11 2HA GLY 11 1.651 -22.039 -12.178 72 H LYS 12 H LYS 12 2.645 -20.149 -12.113 73 HA LYS 12 HA LYS 12 3.104 -17.875 -12.270 74 HB2 LYS 12 1HB LYS 12 2.780 -18.380 -14.680 75 HB3 LYS 12 2HB LYS 12 1.071 -17.975 -14.511 76 HG2 LYS 12 1HG LYS 12 1.660 -15.697 -13.805 77 HG3 LYS 12 2HG LYS 12 3.376 -16.094 -13.916 78 HD2 LYS 12 1HD LYS 12 3.110 -16.565 -16.328 79 HD3 LYS 12 2HD LYS 12 1.400 -16.148 -16.217 80 HE2 LYS 12 1HE LYS 12 2.411 -14.159 -16.990 81 HE3 LYS 12 2HE LYS 12 2.220 -13.882 -15.259 82 HZ1 LYS 12 3HZ LYS 12 4.578 -13.879 -16.753 83 HZ2 LYS 12 1HZ LYS 12 4.653 -15.204 -15.696 84 HZ3 LYS 12 2HZ LYS 12 4.395 -13.642 -15.081 85 H SER 13 H SER 13 2.372 -16.976 -10.424 86 HA SER 13 HA SER 13 -0.106 -15.443 -10.537 87 HB2 SER 13 1HB SER 13 -1.044 -16.462 -8.457 88 HB3 SER 13 2HB SER 13 -1.047 -17.557 -9.834 89 HG SER 13 HG SER 13 -0.232 -18.464 -7.834 90 H ASP 14 H ASP 14 1.405 -13.747 -10.275 91 HA ASP 14 HA ASP 14 2.841 -13.597 -7.657 92 HB2 ASP 14 1HB ASP 14 3.129 -12.060 -10.254 93 HB3 ASP 14 2HB ASP 14 3.928 -11.570 -8.759 94 H PHE 15 H PHE 15 0.191 -13.374 -7.297 95 HA PHE 15 HA PHE 15 -0.206 -10.443 -6.784 96 HB2 PHE 15 1HB PHE 15 -2.323 -12.448 -7.651 97 HB3 PHE 15 2HB PHE 15 -2.637 -10.789 -7.139 98 HD1 PHE 15 HD2 PHE 15 -1.983 -8.885 -8.520 99 HD2 PHE 15 HD1 PHE 15 -1.256 -12.919 -9.809 100 HE1 PHE 15 HE2 PHE 15 -1.540 -8.072 -10.820 101 HE2 PHE 15 HE1 PHE 15 -0.815 -12.103 -12.109 102 HZ PHE 15 HZ PHE 15 -0.954 -9.680 -12.614 103 H ILE 16 H ILE 16 -1.116 -9.959 -4.814 104 HA ILE 16 HA ILE 16 -1.682 -12.237 -2.949 105 HB ILE 16 HB ILE 16 -0.593 -10.941 -1.158 106 HG12 ILE 16 1HG1 ILE 16 0.318 -9.090 -3.388 107 HG13 ILE 16 2HG1 ILE 16 -0.926 -8.681 -2.209 108 HG21 ILE 16 1HG2 ILE 16 1.302 -11.219 -3.499 109 HG22 ILE 16 2HG2 ILE 16 0.628 -12.615 -2.654 110 HG23 ILE 16 3HG2 ILE 16 1.647 -11.467 -1.787 111 HD11 ILE 16 3HD1 ILE 16 0.771 -9.155 -0.392 112 HD12 ILE 16 1HD1 ILE 16 1.140 -7.754 -1.398 113 HD13 ILE 16 2HD1 ILE 16 1.991 -9.276 -1.661 114 H LYS 17 H LYS 17 -3.187 -11.806 -1.316 115 HA LYS 17 HA LYS 17 -5.128 -9.654 -2.003 116 HB2 LYS 17 1HB LYS 17 -5.370 -12.180 -0.346 117 HB3 LYS 17 2HB LYS 17 -6.647 -10.970 -0.470 118 HG2 LYS 17 1HG LYS 17 -6.667 -11.251 -2.929 119 HG3 LYS 17 2HG LYS 17 -5.419 -12.491 -2.789 120 HD2 LYS 17 1HD LYS 17 -6.909 -13.884 -1.434 121 HD3 LYS 17 2HD LYS 17 -8.149 -12.629 -1.473 122 HE2 LYS 17 1HE LYS 17 -8.647 -14.354 -3.146 123 HE3 LYS 17 2HE LYS 17 -8.255 -12.832 -3.944 124 HZ1 LYS 17 3HZ LYS 17 -6.577 -15.247 -3.662 125 HZ2 LYS 17 1HZ LYS 17 -5.892 -13.736 -4.012 126 HZ3 LYS 17 2HZ LYS 17 -7.021 -14.424 -5.080 127 H VAL 18 H VAL 18 -5.036 -7.868 -0.871 128 HA VAL 18 HA VAL 18 -4.535 -7.972 2.063 129 HB VAL 18 HB VAL 18 -3.114 -5.930 1.862 130 HG11 VAL 18 1HG1 VAL 18 -2.035 -8.262 0.253 131 HG12 VAL 18 2HG1 VAL 18 -2.181 -8.268 2.010 132 HG13 VAL 18 3HG1 VAL 18 -1.109 -7.113 1.219 133 HG21 VAL 18 3HG2 VAL 18 -3.937 -5.195 -0.360 134 HG22 VAL 18 1HG2 VAL 18 -3.176 -6.604 -1.101 135 HG23 VAL 18 2HG2 VAL 18 -2.181 -5.359 -0.347 136 H ASN 19 H ASN 19 -5.160 -5.901 3.098 137 HA ASN 19 HA ASN 19 -7.629 -4.811 1.820 138 HB2 ASN 19 1HB ASN 19 -7.781 -5.875 4.093 139 HB3 ASN 19 2HB ASN 19 -6.730 -4.599 4.710 140 HD21 ASN 19 2HD2 ASN 19 -9.415 -4.900 5.654 141 HD22 ASN 19 1HD2 ASN 19 -10.320 -3.558 5.141 142 H VAL 20 H VAL 20 -7.884 -2.658 1.499 143 HA VAL 20 HA VAL 20 -5.573 -0.855 2.145 144 HB VAL 20 HB VAL 20 -7.230 -1.015 -0.388 145 HG11 VAL 20 1HG1 VAL 20 -5.667 0.943 -1.046 146 HG12 VAL 20 2HG1 VAL 20 -5.410 1.145 0.687 147 HG13 VAL 20 3HG1 VAL 20 -7.030 1.314 0.010 148 HG21 VAL 20 3HG2 VAL 20 -5.251 -2.549 -0.101 149 HG22 VAL 20 1HG2 VAL 20 -4.235 -1.118 0.073 150 HG23 VAL 20 2HG2 VAL 20 -5.083 -1.419 -1.444 151 H SER 21 H SER 21 -6.078 0.962 3.132 152 HA SER 21 HA SER 21 -8.909 1.915 3.157 153 HB2 SER 21 1HB SER 21 -8.466 0.623 5.230 154 HB3 SER 21 2HB SER 21 -7.110 1.690 5.587 155 HG SER 21 HG SER 21 -9.869 2.212 5.565 156 H ASN 22 H ASN 22 -9.143 4.116 3.387 157 HA ASN 22 HA ASN 22 -6.632 5.751 3.157 158 HB2 ASN 22 1HB ASN 22 -9.340 6.288 1.895 159 HB3 ASN 22 2HB ASN 22 -7.900 7.293 1.740 160 HD21 ASN 22 2HD2 ASN 22 -9.630 5.048 0.042 161 HD22 ASN 22 1HD2 ASN 22 -8.382 4.358 -0.881 162 H SER 23 H SER 23 -6.409 7.342 4.553 163 HA SER 23 HA SER 23 -8.074 7.606 6.852 164 HB2 SER 23 1HB SER 23 -5.807 8.255 7.105 165 HB3 SER 23 2HB SER 23 -5.855 9.293 5.683 166 HG SER 23 HG SER 23 -7.532 9.737 7.911 167 H HIS 24 H HIS 24 -7.726 9.622 3.933 168 HA HIS 24 HA HIS 24 -10.255 11.042 4.719 169 HB2 HIS 24 1HB HIS 24 -7.997 12.078 2.976 170 HB3 HIS 24 2HB HIS 24 -9.431 12.969 3.488 171 HD1 HIS 24 HD1 HIS 24 -6.128 11.719 4.725 172 HD2 HIS 24 HD2 HIS 24 -9.447 13.729 6.250 173 HE1 HIS 24 HE1 HIS 24 -5.449 12.601 7.001 174 H ASN 25 H ASN 25 -11.441 9.330 3.691 175 HA ASN 25 HA ASN 25 -12.236 9.972 1.039 176 HB2 ASN 25 1HB ASN 25 -9.924 8.411 1.052 177 HB3 ASN 25 2HB ASN 25 -11.193 7.212 0.823 178 HD21 ASN 25 2HD2 ASN 25 -11.568 6.859 -1.346 179 HD22 ASN 25 1HD2 ASN 25 -11.509 8.043 -2.561 180 H ASP 26 H ASP 26 -12.224 7.877 3.790 181 HA ASP 26 HA ASP 26 -13.897 6.590 4.790 182 HB2 ASP 26 1HB ASP 26 -15.225 8.703 4.212 183 HB3 ASP 26 2HB ASP 26 -15.816 7.821 2.804 184 H ALA 27 H ALA 27 -12.839 6.271 1.715 185 HA ALA 27 HA ALA 27 -14.593 3.996 0.969 186 HB1 ALA 27 3HB ALA 27 -13.896 5.753 -0.712 187 HB2 ALA 27 1HB ALA 27 -13.522 4.095 -1.181 188 HB3 ALA 27 2HB ALA 27 -12.245 5.146 -0.565 189 H VAL 28 H VAL 28 -14.015 1.957 1.278 190 HA VAL 28 HA VAL 28 -11.142 1.297 1.825 191 HB VAL 28 HB VAL 28 -13.574 0.220 3.287 192 HG11 VAL 28 1HG1 VAL 28 -10.620 -0.433 3.418 193 HG12 VAL 28 2HG1 VAL 28 -11.944 -1.536 3.041 194 HG13 VAL 28 3HG1 VAL 28 -11.766 -0.896 4.675 195 HG21 VAL 28 3HG2 VAL 28 -11.234 1.840 4.336 196 HG22 VAL 28 1HG2 VAL 28 -12.698 1.392 5.210 197 HG23 VAL 28 2HG2 VAL 28 -12.782 2.556 3.887 198 H ALA 29 H ALA 29 -10.393 -0.355 0.678 199 HA ALA 29 HA ALA 29 -12.307 -1.963 -0.969 200 HB1 ALA 29 3HB ALA 29 -10.622 -0.702 -2.247 201 HB2 ALA 29 1HB ALA 29 -10.347 -2.436 -2.397 202 HB3 ALA 29 2HB ALA 29 -9.331 -1.473 -1.324 203 H PHE 30 H PHE 30 -12.401 -4.119 -0.727 204 HA PHE 30 HA PHE 30 -10.593 -5.394 1.301 205 HB2 PHE 30 1HB PHE 30 -13.489 -5.957 0.606 206 HB3 PHE 30 2HB PHE 30 -12.509 -6.974 1.663 207 HD1 PHE 30 HD2 PHE 30 -11.591 -6.056 3.792 208 HD2 PHE 30 HD1 PHE 30 -14.358 -3.843 1.363 209 HE1 PHE 30 HE2 PHE 30 -12.055 -4.542 5.700 210 HE2 PHE 30 HE1 PHE 30 -14.822 -2.329 3.271 211 HZ PHE 30 HZ PHE 30 -13.671 -2.678 5.440 212 H GLU 31 H GLU 31 -9.683 -7.287 0.859 213 HA GLU 31 HA GLU 31 -8.679 -8.943 -0.418 214 HB2 GLU 31 1HB GLU 31 -11.543 -9.122 -1.361 215 HB3 GLU 31 2HB GLU 31 -10.307 -10.313 -1.761 216 HG2 GLU 31 1HG GLU 31 -9.910 -10.726 0.636 217 HG3 GLU 31 2HG GLU 31 -11.129 -9.522 1.053 218 H VAL 32 H VAL 32 -8.062 -6.510 -1.439 219 HA VAL 32 HA VAL 32 -8.624 -6.575 -4.353 220 HB VAL 32 HB VAL 32 -8.604 -4.425 -2.964 221 HG11 VAL 32 1HG1 VAL 32 -6.579 -3.463 -2.272 222 HG12 VAL 32 2HG1 VAL 32 -5.608 -4.507 -3.309 223 HG13 VAL 32 3HG1 VAL 32 -6.350 -5.159 -1.850 224 HG21 VAL 32 3HG2 VAL 32 -8.521 -4.498 -5.435 225 HG22 VAL 32 1HG2 VAL 32 -6.764 -4.624 -5.366 226 HG23 VAL 32 2HG2 VAL 32 -7.566 -3.157 -4.801 227 H LYS 33 H LYS 33 -7.400 -7.788 -5.591 228 HA LYS 33 HA LYS 33 -4.772 -8.732 -4.704 229 HB2 LYS 33 1HB LYS 33 -4.826 -10.168 -6.629 230 HB3 LYS 33 2HB LYS 33 -6.437 -10.189 -5.922 231 HG2 LYS 33 1HG LYS 33 -7.121 -8.440 -7.595 232 HG3 LYS 33 2HG LYS 33 -5.544 -8.615 -8.359 233 HD2 LYS 33 1HD LYS 33 -6.010 -11.061 -8.648 234 HD3 LYS 33 2HD LYS 33 -7.643 -10.772 -8.050 235 HE2 LYS 33 1HE LYS 33 -6.447 -9.339 -10.437 236 HE3 LYS 33 2HE LYS 33 -7.469 -10.771 -10.560 237 HZ1 LYS 33 3HZ LYS 33 -9.082 -9.408 -9.121 238 HZ2 LYS 33 1HZ LYS 33 -8.964 -9.045 -10.772 239 HZ3 LYS 33 2HZ LYS 33 -8.175 -8.065 -9.631 240 H LEU 34 H LEU 34 -2.895 -7.916 -5.269 241 HA LEU 34 HA LEU 34 -2.662 -6.134 -7.639 242 HB2 LEU 34 1HB LEU 34 -1.761 -5.454 -4.824 243 HB3 LEU 34 2HB LEU 34 -1.282 -4.558 -6.263 244 HG LEU 34 HG LEU 34 -4.166 -5.001 -5.434 245 HD11 LEU 34 1HD1 LEU 34 -3.245 -3.615 -3.744 246 HD12 LEU 34 2HD1 LEU 34 -4.006 -2.506 -4.885 247 HD13 LEU 34 3HD1 LEU 34 -2.257 -2.726 -4.904 248 HD21 LEU 34 3HD2 LEU 34 -2.780 -3.512 -7.662 249 HD22 LEU 34 1HD2 LEU 34 -4.306 -2.897 -7.035 250 HD23 LEU 34 2HD2 LEU 34 -4.232 -4.509 -7.724 251 H ALA 35 H ALA 35 -0.732 -6.258 -8.655 252 HA ALA 35 HA ALA 35 0.872 -8.589 -8.257 253 HB1 ALA 35 3HB ALA 35 2.465 -7.209 -9.865 254 HB2 ALA 35 1HB ALA 35 1.072 -6.131 -9.972 255 HB3 ALA 35 2HB ALA 35 0.921 -7.818 -10.458 256 H LYS 36 H LYS 36 2.543 -8.935 -6.991 257 HA LYS 36 HA LYS 36 3.431 -6.940 -5.082 258 HB2 LYS 36 1HB LYS 36 4.814 -8.709 -4.186 259 HB3 LYS 36 2HB LYS 36 3.244 -9.399 -4.589 260 HG2 LYS 36 1HG LYS 36 4.264 -10.074 -6.832 261 HG3 LYS 36 2HG LYS 36 5.831 -9.640 -6.146 262 HD2 LYS 36 1HD LYS 36 3.904 -11.688 -4.999 263 HD3 LYS 36 2HD LYS 36 5.396 -12.053 -5.865 264 HE2 LYS 36 1HE LYS 36 6.567 -10.600 -4.076 265 HE3 LYS 36 2HE LYS 36 5.069 -10.764 -3.157 266 HZ1 LYS 36 3HZ LYS 36 6.321 -12.541 -2.433 267 HZ2 LYS 36 1HZ LYS 36 6.980 -12.855 -3.964 268 HZ3 LYS 36 2HZ LYS 36 5.359 -13.253 -3.640 269 H ASP 37 H ASP 37 4.385 -7.827 -8.239 270 HA ASP 37 HA ASP 37 7.197 -7.061 -7.965 271 HB2 ASP 37 1HB ASP 37 5.443 -7.663 -10.368 272 HB3 ASP 37 2HB ASP 37 7.148 -7.228 -10.498 273 H LEU 38 H LEU 38 4.379 -5.311 -7.980 274 HA LEU 38 HA LEU 38 5.187 -3.106 -9.707 275 HB2 LEU 38 1HB LEU 38 3.039 -3.355 -7.580 276 HB3 LEU 38 2HB LEU 38 3.276 -1.914 -8.559 277 HG LEU 38 HG LEU 38 2.862 -4.654 -9.773 278 HD11 LEU 38 1HD1 LEU 38 0.850 -4.252 -8.541 279 HD12 LEU 38 2HD1 LEU 38 0.499 -3.779 -10.203 280 HD13 LEU 38 3HD1 LEU 38 0.836 -2.546 -8.988 281 HD21 LEU 38 3HD2 LEU 38 3.735 -3.246 -11.437 282 HD22 LEU 38 1HD2 LEU 38 2.938 -1.812 -10.797 283 HD23 LEU 38 2HD2 LEU 38 2.008 -3.030 -11.659 284 H THR 39 H THR 39 6.020 -1.140 -9.101 285 HA THR 39 HA THR 39 7.605 -1.142 -6.626 286 HB THR 39 HB THR 39 8.617 0.893 -7.530 287 HG1 THR 39 HG1 THR 39 7.434 2.069 -8.773 288 HG21 THR 39 3HG2 THR 39 8.216 -1.309 -9.568 289 HG22 THR 39 1HG2 THR 39 9.513 -1.185 -8.379 290 HG23 THR 39 2HG2 THR 39 9.429 -0.036 -9.715 291 H VAL 40 H VAL 40 7.648 0.874 -5.319 292 HA VAL 40 HA VAL 40 5.073 1.434 -4.213 293 HB VAL 40 HB VAL 40 7.744 2.839 -3.888 294 HG11 VAL 40 1HG1 VAL 40 6.633 3.669 -1.733 295 HG12 VAL 40 2HG1 VAL 40 5.100 3.195 -2.464 296 HG13 VAL 40 3HG1 VAL 40 6.094 4.435 -3.228 297 HG21 VAL 40 3HG2 VAL 40 7.517 0.421 -3.166 298 HG22 VAL 40 1HG2 VAL 40 6.276 0.949 -2.029 299 HG23 VAL 40 2HG2 VAL 40 7.931 1.536 -1.864 300 H ALA 41 H ALA 41 7.216 3.313 -6.340 301 HA ALA 41 HA ALA 41 5.702 5.707 -6.456 302 HB1 ALA 41 3HB ALA 41 8.014 5.368 -7.401 303 HB2 ALA 41 1HB ALA 41 6.910 6.173 -8.514 304 HB3 ALA 41 2HB ALA 41 7.287 4.465 -8.732 305 H GLN 42 H GLN 42 5.529 2.774 -8.460 306 HA GLN 42 HA GLN 42 3.448 3.707 -10.203 307 HB2 GLN 42 1HB GLN 42 4.346 0.916 -9.419 308 HB3 GLN 42 2HB GLN 42 3.117 1.228 -10.645 309 HG2 GLN 42 1HG GLN 42 4.713 2.546 -11.952 310 HG3 GLN 42 2HG GLN 42 5.945 2.324 -10.711 311 HE21 GLN 42 2HE2 GLN 42 4.972 1.119 -13.669 312 HE22 GLN 42 1HE2 GLN 42 5.613 -0.448 -13.555 313 H LEU 43 H LEU 43 3.426 1.872 -7.167 314 HA LEU 43 HA LEU 43 0.609 1.393 -7.117 315 HB2 LEU 43 1HB LEU 43 2.142 0.115 -5.686 316 HB3 LEU 43 2HB LEU 43 2.602 1.583 -4.826 317 HG LEU 43 HG LEU 43 0.311 1.848 -3.992 318 HD11 LEU 43 1HD1 LEU 43 -1.124 1.024 -5.654 319 HD12 LEU 43 2HD1 LEU 43 -1.226 -0.239 -4.432 320 HD13 LEU 43 3HD1 LEU 43 -0.203 -0.469 -5.851 321 HD21 LEU 43 3HD2 LEU 43 1.986 0.302 -2.846 322 HD22 LEU 43 1HD2 LEU 43 1.113 -1.038 -3.591 323 HD23 LEU 43 2HD2 LEU 43 0.289 0.026 -2.452 324 H LYS 44 H LYS 44 2.646 4.012 -5.911 325 HA LYS 44 HA LYS 44 0.718 5.417 -4.384 326 HB2 LYS 44 1HB LYS 44 3.262 5.845 -4.666 327 HB3 LYS 44 2HB LYS 44 2.817 6.822 -6.061 328 HG2 LYS 44 1HG LYS 44 1.356 8.207 -4.665 329 HG3 LYS 44 2HG LYS 44 1.710 7.206 -3.261 330 HD2 LYS 44 1HD LYS 44 3.914 8.583 -4.800 331 HD3 LYS 44 2HD LYS 44 3.035 9.415 -3.519 332 HE2 LYS 44 1HE LYS 44 3.619 7.478 -1.990 333 HE3 LYS 44 2HE LYS 44 4.681 6.882 -3.261 334 HZ1 LYS 44 3HZ LYS 44 5.913 8.211 -1.716 335 HZ2 LYS 44 1HZ LYS 44 4.858 9.521 -1.932 336 HZ3 LYS 44 2HZ LYS 44 5.845 9.005 -3.216 337 H THR 45 H THR 45 1.504 5.592 -7.847 338 HA THR 45 HA THR 45 -0.274 7.724 -8.512 339 HB THR 45 HB THR 45 -0.069 6.836 -10.826 340 HG1 THR 45 HG1 THR 45 -0.029 4.687 -10.633 341 HG21 THR 45 3HG2 THR 45 1.719 8.245 -10.145 342 HG22 THR 45 1HG2 THR 45 2.486 6.837 -10.880 343 HG23 THR 45 2HG2 THR 45 2.416 6.987 -9.123 344 H LYS 46 H LYS 46 -0.678 4.198 -8.425 345 HA LYS 46 HA LYS 46 -3.328 4.108 -9.498 346 HB2 LYS 46 1HB LYS 46 -1.874 2.246 -7.590 347 HB3 LYS 46 2HB LYS 46 -3.453 1.889 -8.289 348 HG2 LYS 46 1HG LYS 46 -2.506 2.062 -10.552 349 HG3 LYS 46 2HG LYS 46 -0.926 2.448 -9.870 350 HD2 LYS 46 1HD LYS 46 -0.877 0.266 -8.726 351 HD3 LYS 46 2HD LYS 46 -2.464 -0.122 -9.392 352 HE2 LYS 46 1HE LYS 46 -1.560 0.026 -11.673 353 HE3 LYS 46 2HE LYS 46 0.025 0.450 -11.029 354 HZ1 LYS 46 3HZ LYS 46 0.464 -1.665 -10.568 355 HZ2 LYS 46 1HZ LYS 46 -0.878 -2.071 -11.523 356 HZ3 LYS 46 2HZ LYS 46 -1.049 -1.919 -9.839 357 H LEU 47 H LEU 47 -2.088 4.402 -6.192 358 HA LEU 47 HA LEU 47 -4.631 4.344 -4.878 359 HB2 LEU 47 1HB LEU 47 -1.981 5.593 -4.070 360 HB3 LEU 47 2HB LEU 47 -3.383 5.513 -3.008 361 HG LEU 47 HG LEU 47 -2.149 3.070 -4.317 362 HD11 LEU 47 1HD1 LEU 47 -1.095 2.624 -2.139 363 HD12 LEU 47 2HD1 LEU 47 -1.730 4.144 -1.511 364 HD13 LEU 47 3HD1 LEU 47 -0.524 4.157 -2.797 365 HD21 LEU 47 3HD2 LEU 47 -3.397 2.069 -2.211 366 HD22 LEU 47 1HD2 LEU 47 -4.312 2.457 -3.659 367 HD23 LEU 47 2HD2 LEU 47 -4.330 3.559 -2.286 368 H GLU 48 H GLU 48 -2.683 6.934 -6.272 369 HA GLU 48 HA GLU 48 -4.083 9.180 -5.333 370 HB2 GLU 48 1HB GLU 48 -1.975 9.151 -6.772 371 HB3 GLU 48 2HB GLU 48 -3.029 8.902 -8.165 372 HG2 GLU 48 1HG GLU 48 -3.429 11.189 -6.229 373 HG3 GLU 48 2HG GLU 48 -2.395 11.332 -7.642 374 H ILE 49 H ILE 49 -4.745 7.227 -8.241 375 HA ILE 49 HA ILE 49 -7.063 8.726 -9.043 376 HB ILE 49 HB ILE 49 -6.203 5.871 -9.628 377 HG12 ILE 49 1HG1 ILE 49 -6.196 8.338 -11.392 378 HG13 ILE 49 2HG1 ILE 49 -4.798 7.829 -10.445 379 HG21 ILE 49 1HG2 ILE 49 -8.569 5.905 -9.968 380 HG22 ILE 49 2HG2 ILE 49 -7.859 6.149 -11.564 381 HG23 ILE 49 3HG2 ILE 49 -8.515 7.521 -10.672 382 HD11 ILE 49 3HD1 ILE 49 -6.202 6.114 -12.517 383 HD12 ILE 49 1HD1 ILE 49 -4.748 5.680 -11.617 384 HD13 ILE 49 2HD1 ILE 49 -4.700 6.996 -12.789 385 H LEU 50 H LEU 50 -6.626 5.801 -7.095 386 HA LEU 50 HA LEU 50 -9.376 5.218 -6.687 387 HB2 LEU 50 1HB LEU 50 -7.618 3.582 -6.205 388 HB3 LEU 50 2HB LEU 50 -6.967 4.613 -4.929 389 HG LEU 50 HG LEU 50 -9.085 4.402 -3.675 390 HD11 LEU 50 1HD1 LEU 50 -9.906 2.953 -6.180 391 HD12 LEU 50 2HD1 LEU 50 -10.807 4.126 -5.218 392 HD13 LEU 50 3HD1 LEU 50 -10.624 2.472 -4.641 393 HD21 LEU 50 3HD2 LEU 50 -8.889 2.045 -3.069 394 HD22 LEU 50 1HD2 LEU 50 -7.287 2.736 -3.320 395 HD23 LEU 50 2HD2 LEU 50 -8.011 1.714 -4.561 396 H THR 51 H THR 51 -7.095 7.194 -4.806 397 HA THR 51 HA THR 51 -9.245 7.944 -2.897 398 HB THR 51 HB THR 51 -7.472 9.009 -1.624 399 HG1 THR 51 HG1 THR 51 -6.189 8.869 -4.061 400 HG21 THR 51 3HG2 THR 51 -7.700 6.435 -1.718 401 HG22 THR 51 1HG2 THR 51 -6.219 7.101 -1.031 402 HG23 THR 51 2HG2 THR 51 -6.223 6.477 -2.681 403 H GLY 52 H GLY 52 -7.744 9.097 -5.748 404 HA2 GLY 52 1HA GLY 52 -8.088 11.038 -7.006 405 HA3 GLY 52 2HA GLY 52 -9.476 11.370 -5.967 406 H GLY 53 H GLY 53 -6.549 10.870 -4.310 407 HA2 GLY 53 1HA GLY 53 -6.478 13.694 -3.475 408 HA3 GLY 53 2HA GLY 53 -5.557 12.371 -2.765 409 H CYS 54 H CYS 54 -3.725 13.773 -2.840 410 HA CYS 54 HA CYS 54 -2.522 14.121 -5.565 411 HB2 CYS 54 1HB CYS 54 -2.945 16.161 -4.024 412 HB3 CYS 54 2HB CYS 54 -1.599 15.544 -3.068 413 HG CYS 54 HG CYS 54 -0.905 15.740 -6.030 414 H ALA 55 H ALA 55 -0.924 12.802 -6.020 415 HA ALA 55 HA ALA 55 0.134 10.870 -4.206 416 HB1 ALA 55 3HB ALA 55 1.724 10.349 -6.028 417 HB2 ALA 55 1HB ALA 55 1.233 11.819 -6.872 418 HB3 ALA 55 2HB ALA 55 0.078 10.506 -6.638 419 H GLY 56 H GLY 56 1.029 14.124 -4.947 420 HA2 GLY 56 1HA GLY 56 3.779 14.121 -4.247 421 HA3 GLY 56 2HA GLY 56 2.707 15.514 -4.127 422 H THR 57 H THR 57 0.873 14.556 -2.216 423 HA THR 57 HA THR 57 2.640 14.503 0.208 424 HB THR 57 HB THR 57 1.334 16.389 0.505 425 HG1 THR 57 HG1 THR 57 -0.305 14.255 1.390 426 HG21 THR 57 3HG2 THR 57 -1.024 16.576 -0.262 427 HG22 THR 57 1HG2 THR 57 -0.918 14.944 -0.920 428 HG23 THR 57 2HG2 THR 57 0.087 16.231 -1.587 429 H MET 58 H MET 58 1.251 12.279 -1.597 430 HA MET 58 HA MET 58 -0.371 10.836 0.351 431 HB2 MET 58 1HB MET 58 -0.741 10.582 -2.079 432 HB3 MET 58 2HB MET 58 0.868 9.874 -2.247 433 HG2 MET 58 1HG MET 58 0.218 8.045 -0.715 434 HG3 MET 58 2HG MET 58 -1.380 8.756 -0.553 435 HE1 MET 58 3HE MET 58 -3.321 8.156 -3.402 436 HE2 MET 58 1HE MET 58 -2.249 9.467 -3.905 437 HE3 MET 58 2HE MET 58 -2.797 9.365 -2.238 438 H LYS 59 H LYS 59 0.267 9.302 1.740 439 HA LYS 59 HA LYS 59 3.078 8.281 1.611 440 HB2 LYS 59 1HB LYS 59 1.603 9.299 4.042 441 HB3 LYS 59 2HB LYS 59 3.100 8.373 4.119 442 HG2 LYS 59 1HG LYS 59 4.174 10.102 2.656 443 HG3 LYS 59 2HG LYS 59 2.700 11.058 2.772 444 HD2 LYS 59 1HD LYS 59 4.246 10.118 5.200 445 HD3 LYS 59 2HD LYS 59 4.530 11.680 4.432 446 HE2 LYS 59 1HE LYS 59 1.996 12.081 4.714 447 HE3 LYS 59 2HE LYS 59 2.026 10.705 5.814 448 HZ1 LYS 59 3HZ LYS 59 2.365 12.537 7.169 449 HZ2 LYS 59 1HZ LYS 59 3.415 13.292 6.072 450 HZ3 LYS 59 2HZ LYS 59 3.933 11.924 6.935 451 H VAL 60 H VAL 60 3.285 6.159 1.996 452 HA VAL 60 HA VAL 60 0.796 4.602 2.612 453 HB VAL 60 HB VAL 60 3.279 3.881 1.024 454 HG11 VAL 60 1HG1 VAL 60 1.940 1.713 0.651 455 HG12 VAL 60 2HG1 VAL 60 0.992 2.194 2.058 456 HG13 VAL 60 3HG1 VAL 60 2.723 1.899 2.222 457 HG21 VAL 60 3HG2 VAL 60 0.343 3.988 0.268 458 HG22 VAL 60 1HG2 VAL 60 1.692 3.655 -0.817 459 HG23 VAL 60 2HG2 VAL 60 1.513 5.256 -0.097 460 H GLN 61 H GLN 61 0.766 3.413 4.389 461 HA GLN 61 HA GLN 61 3.334 2.738 5.772 462 HB2 GLN 61 1HB GLN 61 0.835 3.928 7.011 463 HB3 GLN 61 2HB GLN 61 2.164 3.224 7.937 464 HG2 GLN 61 1HG GLN 61 3.730 4.834 6.971 465 HG3 GLN 61 2HG GLN 61 2.448 5.518 5.975 466 HE21 GLN 61 2HE2 GLN 61 1.967 7.529 6.878 467 HE22 GLN 61 1HE2 GLN 61 1.696 7.809 8.531 468 H VAL 62 H VAL 62 3.457 0.651 6.108 469 HA VAL 62 HA VAL 62 1.186 -1.126 5.690 470 HB VAL 62 HB VAL 62 3.992 -1.752 6.672 471 HG11 VAL 62 1HG1 VAL 62 2.358 -3.533 7.144 472 HG12 VAL 62 2HG1 VAL 62 3.453 -4.031 5.856 473 HG13 VAL 62 3HG1 VAL 62 1.820 -3.492 5.466 474 HG21 VAL 62 3HG2 VAL 62 4.540 -2.210 4.374 475 HG22 VAL 62 1HG2 VAL 62 3.812 -0.605 4.413 476 HG23 VAL 62 2HG2 VAL 62 2.867 -1.991 3.869 477 H PHE 63 H PHE 63 -0.043 -2.057 7.199 478 HA PHE 63 HA PHE 63 0.700 -1.733 10.083 479 HB2 PHE 63 1HB PHE 63 -1.871 -1.119 8.650 480 HB3 PHE 63 2HB PHE 63 -1.937 -1.662 10.327 481 HD1 PHE 63 HD1 PHE 63 -0.729 -0.406 12.107 482 HD2 PHE 63 HD2 PHE 63 -1.084 1.084 8.089 483 HE1 PHE 63 HE1 PHE 63 -0.118 1.868 12.892 484 HE2 PHE 63 HE2 PHE 63 -0.473 3.354 8.877 485 HZ PHE 63 HZ PHE 63 0.009 3.747 11.277 486 H LYS 64 H LYS 64 0.177 -3.367 11.432 487 HA LYS 64 HA LYS 64 -1.286 -5.730 10.485 488 HB2 LYS 64 1HB LYS 64 1.066 -6.077 9.691 489 HB3 LYS 64 2HB LYS 64 1.607 -5.973 11.367 490 HG2 LYS 64 1HG LYS 64 0.222 -7.900 11.965 491 HG3 LYS 64 2HG LYS 64 -0.411 -7.981 10.320 492 HD2 LYS 64 1HD LYS 64 1.867 -8.400 9.463 493 HD3 LYS 64 2HD LYS 64 2.498 -8.330 11.108 494 HE2 LYS 64 1HE LYS 64 2.157 -10.666 10.428 495 HE3 LYS 64 2HE LYS 64 1.052 -10.241 11.735 496 HZ1 LYS 64 3HZ LYS 64 -0.725 -10.437 10.408 497 HZ2 LYS 64 1HZ LYS 64 0.297 -11.379 9.436 498 HZ3 LYS 64 2HZ LYS 64 0.051 -9.738 9.067 499 H GLY 65 H GLY 65 -2.697 -5.401 12.147 500 HA2 GLY 65 1HA GLY 65 -3.529 -5.810 14.298 501 HA3 GLY 65 2HA GLY 65 -1.917 -6.338 14.778 502 H ASP 66 H ASP 66 -1.318 -5.165 16.458 503 HA ASP 66 HA ASP 66 -2.029 -2.281 16.629 504 HB2 ASP 66 1HB ASP 66 -1.255 -2.520 18.992 505 HB3 ASP 66 2HB ASP 66 -2.574 -3.611 18.586 506 H THR 67 H THR 67 0.328 -3.954 15.223 507 HA THR 67 HA THR 67 2.445 -1.951 15.929 508 HB THR 67 HB THR 67 2.838 -4.902 15.356 509 HG1 THR 67 HG1 THR 67 3.836 -4.166 17.655 510 HG21 THR 67 3HG2 THR 67 5.216 -4.267 16.092 511 HG22 THR 67 1HG2 THR 67 4.735 -2.595 15.810 512 HG23 THR 67 2HG2 THR 67 4.723 -3.753 14.479 513 H CYS 68 H CYS 68 3.386 -0.979 14.275 514 HA CYS 68 HA CYS 68 2.438 -1.479 11.547 515 HB2 CYS 68 1HB CYS 68 4.609 0.481 12.292 516 HB3 CYS 68 2HB CYS 68 3.410 0.594 11.002 517 HG CYS 68 HG CYS 68 1.603 0.814 13.055 518 H VAL 69 H VAL 69 3.455 -2.766 10.151 519 HA VAL 69 HA VAL 69 5.845 -4.201 10.817 520 HB VAL 69 HB VAL 69 4.475 -3.828 8.129 521 HG11 VAL 69 1HG1 VAL 69 6.695 -4.596 7.704 522 HG12 VAL 69 2HG1 VAL 69 5.682 -6.041 7.672 523 HG13 VAL 69 3HG1 VAL 69 6.662 -5.681 9.094 524 HG21 VAL 69 3HG2 VAL 69 3.084 -4.855 9.941 525 HG22 VAL 69 1HG2 VAL 69 4.320 -6.097 10.142 526 HG23 VAL 69 2HG2 VAL 69 3.428 -5.979 8.626 527 H SER 70 H SER 70 5.255 -1.584 8.435 528 HA SER 70 HA SER 70 7.796 -0.346 8.925 529 HB2 SER 70 1HB SER 70 8.574 -2.413 7.734 530 HB3 SER 70 2HB SER 70 7.632 -1.913 6.337 531 HG SER 70 HG SER 70 10.064 -1.131 7.085 532 H THR 71 H THR 71 8.309 1.272 7.175 533 HA THR 71 HA THR 71 5.783 2.359 5.970 534 HB THR 71 HB THR 71 8.206 3.837 7.051 535 HG1 THR 71 HG1 THR 71 7.059 3.613 8.793 536 HG21 THR 71 3HG2 THR 71 6.713 5.844 6.576 537 HG22 THR 71 1HG2 THR 71 5.708 4.759 5.616 538 HG23 THR 71 2HG2 THR 71 7.386 5.047 5.154 539 H MET 72 H MET 72 5.790 2.514 3.839 540 HA MET 72 HA MET 72 8.030 1.683 2.230 541 HB2 MET 72 1HB MET 72 5.391 3.000 1.522 542 HB3 MET 72 2HB MET 72 6.555 2.449 0.319 543 HG2 MET 72 1HG MET 72 6.433 0.158 1.288 544 HG3 MET 72 2HG MET 72 5.205 0.724 2.419 545 HE1 MET 72 3HE MET 72 2.916 -1.317 0.179 546 HE2 MET 72 1HE MET 72 3.418 -0.880 1.817 547 HE3 MET 72 2HE MET 72 4.534 -1.723 0.745 548 H ASP 73 H ASP 73 9.382 3.396 3.454 549 HA ASP 73 HA ASP 73 9.188 6.140 2.445 550 HB2 ASP 73 1HB ASP 73 11.305 6.457 3.751 551 HB3 ASP 73 2HB ASP 73 9.991 5.799 4.720 552 H ASN 74 H ASN 74 10.360 3.240 1.265 553 HA ASN 74 HA ASN 74 12.524 4.526 -0.351 554 HB2 ASN 74 1HB ASN 74 11.839 1.632 0.221 555 HB3 ASN 74 2HB ASN 74 13.029 2.122 -0.986 556 HD21 ASN 74 2HD2 ASN 74 13.799 0.614 1.321 557 HD22 ASN 74 1HD2 ASN 74 14.772 1.597 2.304 558 H ASN 75 H ASN 75 11.742 5.381 -2.146 559 HA ASN 75 HA ASN 75 9.331 4.461 -3.464 560 HB2 ASN 75 1HB ASN 75 9.754 6.225 -5.048 561 HB3 ASN 75 2HB ASN 75 10.180 6.844 -3.454 562 HD21 ASN 75 2HD2 ASN 75 11.311 8.013 -5.780 563 HD22 ASN 75 1HD2 ASN 75 12.968 7.651 -5.835 564 H ASP 76 H ASP 76 12.648 3.583 -3.585 565 HA ASP 76 HA ASP 76 12.437 2.418 -6.309 566 HB2 ASP 76 1HB ASP 76 14.832 1.793 -5.937 567 HB3 ASP 76 2HB ASP 76 14.542 3.524 -5.801 568 H ALA 77 H ALA 77 11.575 1.565 -3.239 569 HA ALA 77 HA ALA 77 12.430 -1.233 -3.281 570 HB1 ALA 77 3HB ALA 77 10.832 -1.380 -1.294 571 HB2 ALA 77 1HB ALA 77 10.580 0.357 -1.489 572 HB3 ALA 77 2HB ALA 77 12.186 -0.267 -1.113 573 H GLN 78 H GLN 78 11.050 -3.012 -3.485 574 HA GLN 78 HA GLN 78 8.888 -2.646 -5.432 575 HB2 GLN 78 1HB GLN 78 10.156 -5.106 -4.202 576 HB3 GLN 78 2HB GLN 78 8.835 -5.170 -5.369 577 HG2 GLN 78 1HG GLN 78 10.193 -3.981 -7.021 578 HG3 GLN 78 2HG GLN 78 11.509 -3.826 -5.857 579 HE21 GLN 78 2HE2 GLN 78 11.335 -5.354 -8.514 580 HE22 GLN 78 1HE2 GLN 78 11.812 -6.935 -8.120 581 H LEU 79 H LEU 79 6.802 -3.657 -5.131 582 HA LEU 79 HA LEU 79 5.549 -2.921 -2.677 583 HB2 LEU 79 1HB LEU 79 4.296 -3.012 -4.794 584 HB3 LEU 79 2HB LEU 79 4.568 -4.751 -4.907 585 HG LEU 79 HG LEU 79 3.273 -5.114 -2.854 586 HD11 LEU 79 1HD1 LEU 79 3.601 -3.248 -1.482 587 HD12 LEU 79 2HD1 LEU 79 1.959 -2.973 -2.053 588 HD13 LEU 79 3HD1 LEU 79 3.305 -2.102 -2.789 589 HD21 LEU 79 3HD2 LEU 79 1.048 -4.218 -3.680 590 HD22 LEU 79 1HD2 LEU 79 1.966 -5.136 -4.872 591 HD23 LEU 79 2HD2 LEU 79 1.940 -3.374 -4.946 592 H GLY 80 H GLY 80 6.671 -5.993 -3.991 593 HA2 GLY 80 1HA GLY 80 5.673 -7.620 -1.815 594 HA3 GLY 80 2HA GLY 80 6.850 -8.119 -3.030 595 H TYR 81 H TYR 81 8.213 -5.417 -2.059 596 HA TYR 81 HA TYR 81 10.269 -6.660 -0.512 597 HB2 TYR 81 1HB TYR 81 10.485 -4.509 -1.836 598 HB3 TYR 81 2HB TYR 81 9.582 -3.704 -0.552 599 HD1 TYR 81 HD1 TYR 81 10.525 -3.467 1.705 600 HD2 TYR 81 HD2 TYR 81 12.757 -5.294 -1.478 601 HE1 TYR 81 HE1 TYR 81 12.604 -3.254 3.039 602 HE2 TYR 81 HE2 TYR 81 14.837 -5.081 -0.143 603 HH TYR 81 HH TYR 81 15.664 -4.631 1.909 604 H TYR 82 H TYR 82 7.502 -4.621 0.404 605 HA TYR 82 HA TYR 82 8.024 -5.239 3.288 606 HB2 TYR 82 1HB TYR 82 6.232 -3.148 1.994 607 HB3 TYR 82 2HB TYR 82 6.459 -3.370 3.729 608 HD1 TYR 82 HD1 TYR 82 8.826 -3.168 4.684 609 HD2 TYR 82 HD2 TYR 82 7.771 -1.854 0.731 610 HE1 TYR 82 HE1 TYR 82 10.863 -1.754 4.608 611 HE2 TYR 82 HE2 TYR 82 9.807 -0.441 0.658 612 HH TYR 82 HH TYR 82 11.326 0.680 2.393 613 H ALA 83 H ALA 83 5.793 -5.705 0.642 614 HA ALA 83 HA ALA 83 3.813 -7.019 2.464 615 HB1 ALA 83 3HB ALA 83 3.482 -6.318 -0.470 616 HB2 ALA 83 1HB ALA 83 3.039 -5.232 0.848 617 HB3 ALA 83 2HB ALA 83 2.221 -6.782 0.672 618 H ASN 84 H ASN 84 5.575 -8.734 2.585 619 HA ASN 84 HA ASN 84 5.668 -10.515 0.199 620 HB2 ASN 84 1HB ASN 84 7.435 -11.708 1.416 621 HB3 ASN 84 2HB ASN 84 7.799 -9.988 1.334 622 HD21 ASN 84 2HD2 ASN 84 9.216 -10.746 3.297 623 HD22 ASN 84 1HD2 ASN 84 8.489 -10.663 4.829 624 H SER 85 H SER 85 3.468 -10.040 2.427 625 HA SER 85 HA SER 85 2.663 -12.885 2.499 626 HB2 SER 85 1HB SER 85 3.944 -12.549 4.596 627 HB3 SER 85 2HB SER 85 2.878 -11.214 5.022 628 HG SER 85 HG SER 85 2.373 -13.969 4.896 629 H ASP 86 H ASP 86 0.446 -13.161 2.765 630 HA ASP 86 HA ASP 86 -1.188 -10.840 2.030 631 HB2 ASP 86 1HB ASP 86 -3.004 -12.467 1.780 632 HB3 ASP 86 2HB ASP 86 -1.560 -13.049 0.958 633 H GLY 87 H GLY 87 -3.304 -10.553 3.161 634 HA2 GLY 87 1HA GLY 87 -4.646 -10.424 5.117 635 HA3 GLY 87 2HA GLY 87 -3.375 -11.247 6.026 636 H LEU 88 H LEU 88 -1.808 -8.975 4.278 637 HA LEU 88 HA LEU 88 -1.405 -7.248 6.585 638 HB2 LEU 88 1HB LEU 88 -0.421 -6.942 3.728 639 HB3 LEU 88 2HB LEU 88 0.170 -6.050 5.128 640 HG LEU 88 HG LEU 88 0.282 -9.068 4.846 641 HD11 LEU 88 1HD1 LEU 88 2.689 -8.754 4.487 642 HD12 LEU 88 2HD1 LEU 88 2.494 -7.004 4.599 643 HD13 LEU 88 3HD1 LEU 88 1.779 -7.886 3.249 644 HD21 LEU 88 3HD2 LEU 88 1.108 -7.102 6.981 645 HD22 LEU 88 1HD2 LEU 88 2.027 -8.593 6.775 646 HD23 LEU 88 2HD2 LEU 88 0.311 -8.666 7.152 647 H ARG 89 H ARG 89 -1.787 -5.002 6.648 648 HA ARG 89 HA ARG 89 -4.033 -4.066 4.885 649 HB2 ARG 89 1HB ARG 89 -4.751 -4.590 7.205 650 HB3 ARG 89 2HB ARG 89 -3.567 -3.436 7.817 651 HG2 ARG 89 1HG ARG 89 -4.677 -1.627 6.546 652 HG3 ARG 89 2HG ARG 89 -5.864 -2.785 5.943 653 HD2 ARG 89 1HD ARG 89 -6.464 -3.294 8.347 654 HD3 ARG 89 2HD ARG 89 -5.419 -1.959 8.829 655 HE ARG 89 HE ARG 89 -7.401 -1.165 6.845 656 HH11 ARG 89 1HH2 ARG 89 -6.761 -1.722 10.217 657 HH12 ARG 89 2HH2 ARG 89 -8.029 -0.668 10.750 658 HH21 ARG 89 1HH1 ARG 89 -9.044 0.196 7.552 659 HH22 ARG 89 2HH1 ARG 89 -9.314 0.411 9.249 660 H LEU 90 H LEU 90 -3.643 -2.267 3.820 661 HA LEU 90 HA LEU 90 -1.240 -0.629 4.519 662 HB2 LEU 90 1HB LEU 90 -2.830 -0.686 1.930 663 HB3 LEU 90 2HB LEU 90 -1.292 0.131 2.212 664 HG LEU 90 HG LEU 90 -1.740 -2.865 2.381 665 HD11 LEU 90 1HD1 LEU 90 -0.246 -2.875 0.359 666 HD12 LEU 90 2HD1 LEU 90 -0.392 -1.119 0.301 667 HD13 LEU 90 3HD1 LEU 90 -1.818 -2.129 0.071 668 HD21 LEU 90 3HD2 LEU 90 0.625 -1.063 2.903 669 HD22 LEU 90 1HD2 LEU 90 0.880 -2.717 2.346 670 HD23 LEU 90 2HD2 LEU 90 0.033 -2.422 3.860 671 H HIS 91 H HIS 91 -1.483 1.388 5.202 672 HA HIS 91 HA HIS 91 -4.210 2.642 5.080 673 HB2 HIS 91 1HB HIS 91 -3.382 2.070 7.375 674 HB3 HIS 91 2HB HIS 91 -2.021 3.166 7.114 675 HD1 HIS 91 HD1 HIS 91 -5.832 3.298 6.873 676 HD2 HIS 91 HD2 HIS 91 -2.614 5.760 7.858 677 HE1 HIS 91 HE1 HIS 91 -6.822 5.511 7.604 678 H VAL 92 H VAL 92 -4.289 4.214 3.655 679 HA VAL 92 HA VAL 92 -1.842 5.629 2.788 680 HB VAL 92 HB VAL 92 -4.709 5.740 1.795 681 HG11 VAL 92 1HG1 VAL 92 -3.770 7.860 1.291 682 HG12 VAL 92 2HG1 VAL 92 -3.524 6.912 -0.177 683 HG13 VAL 92 3HG1 VAL 92 -2.186 7.165 0.945 684 HG21 VAL 92 3HG2 VAL 92 -3.668 3.626 1.253 685 HG22 VAL 92 1HG2 VAL 92 -2.177 4.431 0.762 686 HG23 VAL 92 2HG2 VAL 92 -3.640 4.616 -0.206 687 H VAL 93 H VAL 93 -1.348 7.638 3.391 688 HA VAL 93 HA VAL 93 -3.370 9.212 4.962 689 HB VAL 93 HB VAL 93 -0.354 9.184 5.283 690 HG11 VAL 93 1HG1 VAL 93 -1.022 10.453 7.401 691 HG12 VAL 93 2HG1 VAL 93 -2.611 10.645 6.662 692 HG13 VAL 93 3HG1 VAL 93 -1.187 11.339 5.885 693 HG21 VAL 93 3HG2 VAL 93 -2.508 8.121 7.131 694 HG22 VAL 93 1HG2 VAL 93 -0.764 7.978 7.344 695 HG23 VAL 93 2HG2 VAL 93 -1.567 7.102 6.039 696 H ASP 94 H ASP 94 -4.042 10.871 3.840 697 HA ASP 94 HA ASP 94 -2.190 12.242 1.919 698 HB2 ASP 94 1HB ASP 94 -5.207 11.956 1.946 699 HB3 ASP 94 2HB ASP 94 -4.349 13.076 0.887 700 H SER 95 H SER 95 -1.383 14.007 2.831 701 HA SER 95 HA SER 95 -3.157 16.094 3.851 702 HB2 SER 95 1HB SER 95 -2.232 16.254 6.054 703 HB3 SER 95 2HB SER 95 -2.708 14.574 5.829 704 HG SER 95 HG SER 95 -0.213 14.914 4.929 Start of MODEL 14 1 H1 MET 1 1H MET 1 19.733 -11.418 -20.763 2 H2 MET 1 2H MET 1 18.169 -10.919 -21.201 3 H3 MET 1 3H MET 1 18.897 -10.308 -19.791 4 HA MET 1 HA MET 1 20.721 -9.593 -21.590 5 HB2 MET 1 1HB MET 1 19.304 -10.481 -23.432 6 HB3 MET 1 2HB MET 1 18.016 -9.377 -22.948 7 HG2 MET 1 1HG MET 1 19.468 -7.449 -23.388 8 HG3 MET 1 2HG MET 1 20.800 -8.527 -23.805 9 HE1 MET 1 3HE MET 1 20.237 -7.287 -27.247 10 HE2 MET 1 1HE MET 1 21.069 -7.125 -25.694 11 HE3 MET 1 2HE MET 1 19.598 -6.206 -26.010 12 H GLY 2 H GLY 2 17.332 -8.505 -21.131 13 HA2 GLY 2 1HA GLY 2 18.008 -6.552 -19.154 14 HA3 GLY 2 2HA GLY 2 17.969 -5.777 -20.738 15 H HIS 3 H HIS 3 16.129 -4.589 -19.694 16 HA HIS 3 HA HIS 3 13.667 -5.899 -19.021 17 HB2 HIS 3 1HB HIS 3 14.292 -3.079 -19.939 18 HB3 HIS 3 2HB HIS 3 12.695 -3.592 -19.393 19 HD1 HIS 3 HD1 HIS 3 16.255 -3.229 -18.145 20 HD2 HIS 3 HD2 HIS 3 12.417 -3.776 -16.610 21 HE1 HIS 3 HE1 HIS 3 16.446 -2.977 -15.632 22 H HIS 4 H HIS 4 14.990 -4.637 -22.048 23 HA HIS 4 HA HIS 4 12.555 -4.877 -23.567 24 HB2 HIS 4 1HB HIS 4 15.467 -4.769 -24.383 25 HB3 HIS 4 2HB HIS 4 14.133 -4.764 -25.538 26 HD1 HIS 4 HD1 HIS 4 15.561 -2.719 -22.686 27 HD2 HIS 4 HD2 HIS 4 12.822 -2.303 -25.800 28 HE1 HIS 4 HE1 HIS 4 14.909 -0.273 -22.742 29 H HIS 5 H HIS 5 12.160 -6.461 -25.287 30 HA HIS 5 HA HIS 5 11.885 -8.668 -26.017 31 HB2 HIS 5 1HB HIS 5 14.312 -8.305 -26.608 32 HB3 HIS 5 2HB HIS 5 14.737 -9.043 -25.065 33 HD1 HIS 5 HD1 HIS 5 14.465 -11.583 -24.835 34 HD2 HIS 5 HD2 HIS 5 13.123 -10.127 -28.504 35 HE1 HIS 5 HE1 HIS 5 14.052 -13.606 -26.301 36 H HIS 6 H HIS 6 12.027 -7.819 -22.912 37 HA HIS 6 HA HIS 6 11.222 -10.530 -22.007 38 HB2 HIS 6 1HB HIS 6 13.367 -8.852 -20.665 39 HB3 HIS 6 2HB HIS 6 12.603 -10.262 -19.928 40 HD1 HIS 6 HD1 HIS 6 12.746 -12.520 -21.548 41 HD2 HIS 6 HD2 HIS 6 15.581 -9.531 -22.184 42 HE1 HIS 6 HE1 HIS 6 14.640 -13.592 -22.843 43 H HIS 7 H HIS 7 9.298 -8.907 -22.439 44 HA HIS 7 HA HIS 7 8.731 -6.863 -20.507 45 HB2 HIS 7 1HB HIS 7 7.567 -7.059 -22.689 46 HB3 HIS 7 2HB HIS 7 6.808 -8.550 -22.135 47 HD1 HIS 7 HD1 HIS 7 4.966 -8.359 -20.311 48 HD2 HIS 7 HD2 HIS 7 6.476 -4.681 -21.567 49 HE1 HIS 7 HE1 HIS 7 3.376 -6.594 -19.432 50 H HIS 8 H HIS 8 7.879 -10.319 -20.679 51 HA HIS 8 HA HIS 8 7.388 -10.261 -17.738 52 HB2 HIS 8 1HB HIS 8 5.341 -11.648 -18.061 53 HB3 HIS 8 2HB HIS 8 5.173 -10.030 -18.738 54 HD1 HIS 8 HD1 HIS 8 5.079 -9.809 -21.321 55 HD2 HIS 8 HD2 HIS 8 5.465 -13.743 -19.997 56 HE1 HIS 8 HE1 HIS 8 4.610 -11.288 -23.322 57 H SER 9 H SER 9 8.668 -11.802 -16.889 58 HA SER 9 HA SER 9 8.660 -14.517 -17.888 59 HB2 SER 9 1HB SER 9 10.214 -13.456 -19.531 60 HB3 SER 9 2HB SER 9 11.239 -12.941 -18.195 61 HG SER 9 HG SER 9 10.948 -15.406 -19.366 62 H HIS 10 H HIS 10 8.057 -14.771 -15.628 63 HA HIS 10 HA HIS 10 10.401 -15.052 -13.871 64 HB2 HIS 10 1HB HIS 10 8.091 -13.238 -13.118 65 HB3 HIS 10 2HB HIS 10 9.400 -13.721 -12.041 66 HD1 HIS 10 HD1 HIS 10 11.908 -13.112 -13.081 67 HD2 HIS 10 HD2 HIS 10 8.656 -10.901 -14.465 68 HE1 HIS 10 HE1 HIS 10 12.861 -11.004 -14.109 69 H GLY 11 H GLY 11 8.934 -15.373 -11.472 70 HA2 GLY 11 1HA GLY 11 8.130 -18.065 -11.626 71 HA3 GLY 11 2HA GLY 11 7.687 -16.976 -10.313 72 H LYS 12 H LYS 12 5.974 -18.991 -11.296 73 HA LYS 12 HA LYS 12 4.045 -18.042 -13.194 74 HB2 LYS 12 1HB LYS 12 4.291 -20.427 -12.476 75 HB3 LYS 12 2HB LYS 12 3.628 -19.989 -10.903 76 HG2 LYS 12 1HG LYS 12 1.544 -19.246 -11.958 77 HG3 LYS 12 2HG LYS 12 2.206 -19.603 -13.554 78 HD2 LYS 12 1HD LYS 12 2.437 -21.985 -12.914 79 HD3 LYS 12 2HD LYS 12 1.734 -21.619 -11.338 80 HE2 LYS 12 1HE LYS 12 0.332 -21.075 -13.968 81 HE3 LYS 12 2HE LYS 12 0.082 -22.534 -13.011 82 HZ1 LYS 12 3HZ LYS 12 -0.190 -19.904 -11.728 83 HZ2 LYS 12 1HZ LYS 12 -0.941 -21.374 -11.338 84 HZ3 LYS 12 2HZ LYS 12 -1.459 -20.490 -12.693 85 H SER 13 H SER 13 3.167 -18.665 -9.815 86 HA SER 13 HA SER 13 1.243 -16.495 -9.866 87 HB2 SER 13 1HB SER 13 0.698 -18.436 -8.572 88 HB3 SER 13 2HB SER 13 2.216 -18.350 -7.684 89 HG SER 13 HG SER 13 0.789 -16.033 -7.569 90 H ASP 14 H ASP 14 1.309 -14.571 -8.675 91 HA ASP 14 HA ASP 14 3.471 -13.835 -6.926 92 HB2 ASP 14 1HB ASP 14 4.637 -13.797 -9.172 93 HB3 ASP 14 2HB ASP 14 3.517 -12.526 -9.662 94 H PHE 15 H PHE 15 0.692 -13.739 -6.745 95 HA PHE 15 HA PHE 15 0.152 -10.781 -6.753 96 HB2 PHE 15 1HB PHE 15 -1.829 -13.017 -7.310 97 HB3 PHE 15 2HB PHE 15 -2.196 -11.291 -7.273 98 HD1 PHE 15 HD2 PHE 15 -1.415 -9.795 -9.047 99 HD2 PHE 15 HD1 PHE 15 -0.562 -14.003 -9.137 100 HE1 PHE 15 HE2 PHE 15 -0.742 -9.608 -11.425 101 HE2 PHE 15 HE1 PHE 15 0.112 -13.819 -11.513 102 HZ PHE 15 HZ PHE 15 0.023 -11.619 -12.661 103 H ILE 16 H ILE 16 -0.975 -10.023 -4.929 104 HA ILE 16 HA ILE 16 -1.672 -12.013 -2.812 105 HB ILE 16 HB ILE 16 -0.581 -10.561 -1.123 106 HG12 ILE 16 1HG1 ILE 16 0.577 -9.122 -3.532 107 HG13 ILE 16 2HG1 ILE 16 -0.669 -8.457 -2.477 108 HG21 ILE 16 1HG2 ILE 16 1.334 -11.382 -3.321 109 HG22 ILE 16 2HG2 ILE 16 0.578 -12.519 -2.205 110 HG23 ILE 16 3HG2 ILE 16 1.678 -11.283 -1.594 111 HD11 ILE 16 3HD1 ILE 16 1.506 -7.621 -1.764 112 HD12 ILE 16 1HD1 ILE 16 2.132 -9.266 -1.655 113 HD13 ILE 16 2HD1 ILE 16 0.878 -8.724 -0.540 114 H LYS 17 H LYS 17 -3.235 -11.207 -1.292 115 HA LYS 17 HA LYS 17 -4.798 -8.865 -2.333 116 HB2 LYS 17 1HB LYS 17 -6.744 -9.942 -1.284 117 HB3 LYS 17 2HB LYS 17 -5.993 -11.000 -2.474 118 HG2 LYS 17 1HG LYS 17 -4.734 -12.100 -0.598 119 HG3 LYS 17 2HG LYS 17 -5.687 -11.141 0.535 120 HD2 LYS 17 1HD LYS 17 -7.759 -12.108 -0.360 121 HD3 LYS 17 2HD LYS 17 -6.824 -13.047 -1.524 122 HE2 LYS 17 1HE LYS 17 -7.393 -14.434 0.410 123 HE3 LYS 17 2HE LYS 17 -5.651 -14.167 0.340 124 HZ1 LYS 17 3HZ LYS 17 -5.837 -13.450 2.420 125 HZ2 LYS 17 1HZ LYS 17 -7.529 -13.379 2.344 126 HZ3 LYS 17 2HZ LYS 17 -6.601 -12.066 1.796 127 H VAL 18 H VAL 18 -4.989 -7.140 -1.013 128 HA VAL 18 HA VAL 18 -4.624 -7.489 1.925 129 HB VAL 18 HB VAL 18 -3.154 -5.444 1.941 130 HG11 VAL 18 1HG1 VAL 18 -2.304 -7.819 2.045 131 HG12 VAL 18 2HG1 VAL 18 -1.144 -6.666 1.387 132 HG13 VAL 18 3HG1 VAL 18 -2.034 -7.737 0.305 133 HG21 VAL 18 3HG2 VAL 18 -1.996 -4.945 -0.246 134 HG22 VAL 18 1HG2 VAL 18 -3.701 -4.494 -0.224 135 HG23 VAL 18 2HG2 VAL 18 -3.187 -5.965 -1.052 136 H ASN 19 H ASN 19 -5.346 -5.515 3.103 137 HA ASN 19 HA ASN 19 -7.714 -4.337 1.727 138 HB2 ASN 19 1HB ASN 19 -8.131 -5.415 3.879 139 HB3 ASN 19 2HB ASN 19 -6.886 -4.431 4.644 140 HD21 ASN 19 2HD2 ASN 19 -7.858 -2.824 5.859 141 HD22 ASN 19 1HD2 ASN 19 -9.224 -1.933 5.391 142 H VAL 20 H VAL 20 -7.946 -2.087 1.533 143 HA VAL 20 HA VAL 20 -5.553 -0.424 2.300 144 HB VAL 20 HB VAL 20 -7.290 -0.334 -0.183 145 HG11 VAL 20 1HG1 VAL 20 -5.367 1.697 0.960 146 HG12 VAL 20 2HG1 VAL 20 -7.010 1.956 0.377 147 HG13 VAL 20 3HG1 VAL 20 -5.711 1.622 -0.768 148 HG21 VAL 20 3HG2 VAL 20 -5.297 -1.926 0.013 149 HG22 VAL 20 1HG2 VAL 20 -4.280 -0.487 0.086 150 HG23 VAL 20 2HG2 VAL 20 -5.255 -0.805 -1.348 151 H SER 21 H SER 21 -6.011 1.360 3.486 152 HA SER 21 HA SER 21 -8.844 2.330 3.634 153 HB2 SER 21 1HB SER 21 -8.480 0.963 5.617 154 HB3 SER 21 2HB SER 21 -6.955 1.783 5.944 155 HG SER 21 HG SER 21 -8.091 3.671 6.325 156 H ASN 22 H ASN 22 -9.001 4.593 4.161 157 HA ASN 22 HA ASN 22 -6.424 6.122 4.102 158 HB2 ASN 22 1HB ASN 22 -7.276 6.127 1.823 159 HB3 ASN 22 2HB ASN 22 -8.876 6.611 2.389 160 HD21 ASN 22 2HD2 ASN 22 -9.151 8.767 1.804 161 HD22 ASN 22 1HD2 ASN 22 -7.996 9.991 2.033 162 H SER 23 H SER 23 -6.457 8.032 5.264 163 HA SER 23 HA SER 23 -8.250 8.263 7.462 164 HB2 SER 23 1HB SER 23 -6.469 10.354 6.184 165 HB3 SER 23 2HB SER 23 -7.212 10.494 7.776 166 HG SER 23 HG SER 23 -5.790 8.165 7.238 167 H HIS 24 H HIS 24 -8.198 9.958 4.323 168 HA HIS 24 HA HIS 24 -10.660 11.437 5.067 169 HB2 HIS 24 1HB HIS 24 -8.810 11.533 2.676 170 HB3 HIS 24 2HB HIS 24 -10.314 12.449 2.757 171 HD1 HIS 24 HD1 HIS 24 -6.936 12.164 4.423 172 HD2 HIS 24 HD2 HIS 24 -10.253 14.689 4.465 173 HE1 HIS 24 HE1 HIS 24 -6.263 14.209 5.758 174 H ASN 25 H ASN 25 -12.612 11.227 3.938 175 HA ASN 25 HA ASN 25 -14.318 10.101 2.811 176 HB2 ASN 25 1HB ASN 25 -12.774 10.565 0.864 177 HB3 ASN 25 2HB ASN 25 -12.116 8.944 1.083 178 HD21 ASN 25 2HD2 ASN 25 -13.335 9.340 -1.343 179 HD22 ASN 25 1HD2 ASN 25 -14.860 8.594 -1.387 180 H ASP 26 H ASP 26 -15.411 8.178 3.024 181 HA ASP 26 HA ASP 26 -14.145 6.128 4.694 182 HB2 ASP 26 1HB ASP 26 -16.934 6.422 3.536 183 HB3 ASP 26 2HB ASP 26 -16.446 5.098 4.596 184 H ALA 27 H ALA 27 -13.770 6.701 1.581 185 HA ALA 27 HA ALA 27 -14.571 4.342 0.200 186 HB1 ALA 27 3HB ALA 27 -12.131 6.084 -0.280 187 HB2 ALA 27 1HB ALA 27 -13.741 6.376 -0.941 188 HB3 ALA 27 2HB ALA 27 -12.829 4.949 -1.436 189 H VAL 28 H VAL 28 -14.053 2.333 0.983 190 HA VAL 28 HA VAL 28 -11.174 1.790 1.667 191 HB VAL 28 HB VAL 28 -13.695 0.774 3.010 192 HG11 VAL 28 1HG1 VAL 28 -10.854 -0.263 3.090 193 HG12 VAL 28 2HG1 VAL 28 -12.343 -1.173 2.836 194 HG13 VAL 28 3HG1 VAL 28 -11.968 -0.522 4.432 195 HG21 VAL 28 3HG2 VAL 28 -12.707 2.975 3.717 196 HG22 VAL 28 1HG2 VAL 28 -11.216 2.124 4.118 197 HG23 VAL 28 2HG2 VAL 28 -12.702 1.760 4.996 198 H ALA 29 H ALA 29 -10.293 0.094 0.580 199 HA ALA 29 HA ALA 29 -12.080 -1.454 -1.257 200 HB1 ALA 29 3HB ALA 29 -10.160 -1.835 -2.596 201 HB2 ALA 29 1HB ALA 29 -9.060 -1.403 -1.288 202 HB3 ALA 29 2HB ALA 29 -10.017 -0.155 -2.082 203 H PHE 30 H PHE 30 -12.059 -3.734 -1.201 204 HA PHE 30 HA PHE 30 -10.770 -4.948 1.229 205 HB2 PHE 30 1HB PHE 30 -13.273 -5.719 -0.293 206 HB3 PHE 30 2HB PHE 30 -12.575 -6.667 1.021 207 HD1 PHE 30 HD1 PHE 30 -12.296 -5.594 3.301 208 HD2 PHE 30 HD2 PHE 30 -14.605 -3.799 0.156 209 HE1 PHE 30 HE1 PHE 30 -13.430 -4.143 4.961 210 HE2 PHE 30 HE2 PHE 30 -15.741 -2.348 1.816 211 HZ PHE 30 HZ PHE 30 -15.153 -2.521 4.220 212 H GLU 31 H GLU 31 -9.516 -6.737 0.980 213 HA GLU 31 HA GLU 31 -7.930 -8.034 -0.199 214 HB2 GLU 31 1HB GLU 31 -10.533 -8.943 -1.462 215 HB3 GLU 31 2HB GLU 31 -9.052 -9.889 -1.345 216 HG2 GLU 31 1HG GLU 31 -10.661 -8.849 1.007 217 HG3 GLU 31 2HG GLU 31 -10.649 -10.512 0.430 218 H VAL 32 H VAL 32 -7.139 -6.032 -1.395 219 HA VAL 32 HA VAL 32 -8.013 -5.782 -4.187 220 HB VAL 32 HB VAL 32 -6.605 -3.871 -4.241 221 HG11 VAL 32 1HG1 VAL 32 -7.332 -2.614 -2.279 222 HG12 VAL 32 2HG1 VAL 32 -7.672 -4.119 -1.426 223 HG13 VAL 32 3HG1 VAL 32 -8.629 -3.669 -2.838 224 HG21 VAL 32 3HG2 VAL 32 -5.074 -3.420 -2.188 225 HG22 VAL 32 1HG2 VAL 32 -4.519 -4.587 -3.387 226 HG23 VAL 32 2HG2 VAL 32 -5.236 -5.150 -1.878 227 H LYS 33 H LYS 33 -7.099 -6.974 -5.795 228 HA LYS 33 HA LYS 33 -4.762 -8.649 -5.224 229 HB2 LYS 33 1HB LYS 33 -6.783 -9.297 -6.660 230 HB3 LYS 33 2HB LYS 33 -6.111 -8.241 -7.902 231 HG2 LYS 33 1HG LYS 33 -4.068 -9.544 -7.986 232 HG3 LYS 33 2HG LYS 33 -4.595 -10.527 -6.618 233 HD2 LYS 33 1HD LYS 33 -5.015 -11.755 -8.684 234 HD3 LYS 33 2HD LYS 33 -6.553 -11.290 -7.960 235 HE2 LYS 33 1HE LYS 33 -5.293 -9.448 -9.977 236 HE3 LYS 33 2HE LYS 33 -6.133 -10.893 -10.540 237 HZ1 LYS 33 3HZ LYS 33 -7.238 -8.475 -9.639 238 HZ2 LYS 33 1HZ LYS 33 -7.720 -9.708 -8.582 239 HZ3 LYS 33 2HZ LYS 33 -8.038 -9.845 -10.245 240 H LEU 34 H LEU 34 -2.722 -7.830 -5.404 241 HA LEU 34 HA LEU 34 -2.113 -5.995 -7.682 242 HB2 LEU 34 1HB LEU 34 -1.375 -5.561 -4.778 243 HB3 LEU 34 2HB LEU 34 -0.658 -4.663 -6.115 244 HG LEU 34 HG LEU 34 -3.639 -4.786 -5.553 245 HD11 LEU 34 1HD1 LEU 34 -1.753 -2.488 -4.991 246 HD12 LEU 34 2HD1 LEU 34 -2.252 -3.648 -3.762 247 HD13 LEU 34 3HD1 LEU 34 -3.452 -2.619 -4.541 248 HD21 LEU 34 3HD2 LEU 34 -3.388 -2.588 -7.029 249 HD22 LEU 34 1HD2 LEU 34 -3.477 -4.166 -7.802 250 HD23 LEU 34 2HD2 LEU 34 -1.915 -3.379 -7.585 251 H ALA 35 H ALA 35 -0.200 -6.433 -8.659 252 HA ALA 35 HA ALA 35 1.132 -8.912 -8.017 253 HB1 ALA 35 3HB ALA 35 1.568 -6.704 -10.009 254 HB2 ALA 35 1HB ALA 35 1.148 -8.389 -10.301 255 HB3 ALA 35 2HB ALA 35 2.788 -7.963 -9.814 256 H LYS 36 H LYS 36 3.119 -9.238 -7.022 257 HA LYS 36 HA LYS 36 4.034 -7.199 -5.172 258 HB2 LYS 36 1HB LYS 36 5.216 -9.873 -5.974 259 HB3 LYS 36 2HB LYS 36 5.779 -8.888 -4.620 260 HG2 LYS 36 1HG LYS 36 3.512 -8.995 -3.621 261 HG3 LYS 36 2HG LYS 36 2.990 -10.034 -4.949 262 HD2 LYS 36 1HD LYS 36 5.265 -10.669 -3.054 263 HD3 LYS 36 2HD LYS 36 3.637 -11.326 -2.914 264 HE2 LYS 36 1HE LYS 36 4.565 -13.038 -4.153 265 HE3 LYS 36 2HE LYS 36 4.163 -11.978 -5.504 266 HZ1 LYS 36 3HZ LYS 36 6.771 -12.262 -4.124 267 HZ2 LYS 36 1HZ LYS 36 6.429 -10.978 -5.179 268 HZ3 LYS 36 2HZ LYS 36 6.412 -12.576 -5.755 269 H ASP 37 H ASP 37 4.723 -7.894 -8.438 270 HA ASP 37 HA ASP 37 7.486 -6.955 -8.435 271 HB2 ASP 37 1HB ASP 37 5.479 -7.425 -10.663 272 HB3 ASP 37 2HB ASP 37 7.152 -6.940 -10.939 273 H LEU 38 H LEU 38 4.609 -5.374 -7.949 274 HA LEU 38 HA LEU 38 5.114 -3.011 -9.599 275 HB2 LEU 38 1HB LEU 38 3.218 -3.465 -7.276 276 HB3 LEU 38 2HB LEU 38 3.228 -2.033 -8.303 277 HG LEU 38 HG LEU 38 2.797 -4.866 -9.288 278 HD11 LEU 38 1HD1 LEU 38 0.439 -3.976 -9.682 279 HD12 LEU 38 2HD1 LEU 38 0.882 -2.613 -8.654 280 HD13 LEU 38 3HD1 LEU 38 0.881 -4.250 -7.996 281 HD21 LEU 38 3HD2 LEU 38 1.872 -3.393 -11.297 282 HD22 LEU 38 1HD2 LEU 38 3.596 -3.727 -11.166 283 HD23 LEU 38 2HD2 LEU 38 2.958 -2.173 -10.630 284 H THR 39 H THR 39 6.003 -1.060 -8.931 285 HA THR 39 HA THR 39 7.678 -1.170 -6.504 286 HB THR 39 HB THR 39 8.783 0.734 -7.368 287 HG1 THR 39 HG1 THR 39 7.739 1.866 -9.182 288 HG21 THR 39 3HG2 THR 39 9.309 0.138 -9.647 289 HG22 THR 39 1HG2 THR 39 7.775 -0.713 -9.828 290 HG23 THR 39 2HG2 THR 39 9.018 -1.353 -8.751 291 H VAL 40 H VAL 40 7.698 0.890 -5.118 292 HA VAL 40 HA VAL 40 5.115 1.298 -3.954 293 HB VAL 40 HB VAL 40 7.691 2.877 -3.724 294 HG11 VAL 40 1HG1 VAL 40 5.073 3.083 -2.230 295 HG12 VAL 40 2HG1 VAL 40 5.959 4.367 -3.054 296 HG13 VAL 40 3HG1 VAL 40 6.593 3.676 -1.560 297 HG21 VAL 40 3HG2 VAL 40 7.998 1.638 -1.665 298 HG22 VAL 40 1HG2 VAL 40 7.680 0.478 -2.955 299 HG23 VAL 40 2HG2 VAL 40 6.401 0.904 -1.817 300 H ALA 41 H ALA 41 7.072 3.296 -6.176 301 HA ALA 41 HA ALA 41 5.369 5.558 -6.275 302 HB1 ALA 41 3HB ALA 41 6.895 4.413 -8.627 303 HB2 ALA 41 1HB ALA 41 7.668 5.316 -7.325 304 HB3 ALA 41 2HB ALA 41 6.465 6.101 -8.347 305 H GLN 42 H GLN 42 5.270 2.515 -8.104 306 HA GLN 42 HA GLN 42 3.086 3.239 -9.819 307 HB2 GLN 42 1HB GLN 42 4.018 0.535 -8.800 308 HB3 GLN 42 2HB GLN 42 2.822 0.756 -10.077 309 HG2 GLN 42 1HG GLN 42 5.637 1.880 -10.178 310 HG3 GLN 42 2HG GLN 42 5.151 0.365 -10.939 311 HE21 GLN 42 2HE2 GLN 42 5.811 3.401 -11.835 312 HE22 GLN 42 1HE2 GLN 42 4.662 3.636 -13.060 313 H LEU 43 H LEU 43 3.249 1.732 -6.607 314 HA LEU 43 HA LEU 43 0.474 1.116 -6.374 315 HB2 LEU 43 1HB LEU 43 2.246 0.238 -4.857 316 HB3 LEU 43 2HB LEU 43 2.424 1.849 -4.166 317 HG LEU 43 HG LEU 43 0.028 1.789 -3.483 318 HD11 LEU 43 1HD1 LEU 43 0.183 -0.894 -4.846 319 HD12 LEU 43 2HD1 LEU 43 -1.103 0.314 -4.900 320 HD13 LEU 43 3HD1 LEU 43 -0.902 -0.691 -3.468 321 HD21 LEU 43 3HD2 LEU 43 1.752 1.132 -1.887 322 HD22 LEU 43 1HD2 LEU 43 1.771 -0.507 -2.537 323 HD23 LEU 43 2HD2 LEU 43 0.348 0.086 -1.679 324 H LYS 44 H LYS 44 2.327 4.039 -5.540 325 HA LYS 44 HA LYS 44 0.191 5.468 -4.308 326 HB2 LYS 44 1HB LYS 44 2.640 6.401 -5.825 327 HB3 LYS 44 2HB LYS 44 1.523 7.519 -5.041 328 HG2 LYS 44 1HG LYS 44 1.907 6.393 -2.876 329 HG3 LYS 44 2HG LYS 44 3.027 5.274 -3.659 330 HD2 LYS 44 1HD LYS 44 4.485 7.145 -4.295 331 HD3 LYS 44 2HD LYS 44 3.358 8.288 -3.563 332 HE2 LYS 44 1HE LYS 44 4.703 6.044 -2.038 333 HE3 LYS 44 2HE LYS 44 5.311 7.698 -2.087 334 HZ1 LYS 44 3HZ LYS 44 2.622 6.873 -1.135 335 HZ2 LYS 44 1HZ LYS 44 3.215 8.461 -1.171 336 HZ3 LYS 44 2HZ LYS 44 3.927 7.313 -0.141 337 H THR 45 H THR 45 1.161 5.149 -7.701 338 HA THR 45 HA THR 45 -0.587 7.101 -8.799 339 HB THR 45 HB THR 45 0.367 4.470 -9.970 340 HG1 THR 45 HG1 THR 45 1.445 6.901 -10.710 341 HG21 THR 45 3HG2 THR 45 -0.905 6.917 -11.208 342 HG22 THR 45 1HG2 THR 45 -1.443 5.241 -11.321 343 HG23 THR 45 2HG2 THR 45 0.029 5.753 -12.146 344 H LYS 46 H LYS 46 -1.125 3.596 -8.245 345 HA LYS 46 HA LYS 46 -3.815 3.601 -9.243 346 HB2 LYS 46 1HB LYS 46 -2.425 1.789 -7.242 347 HB3 LYS 46 2HB LYS 46 -4.040 1.484 -7.881 348 HG2 LYS 46 1HG LYS 46 -3.125 1.456 -10.177 349 HG3 LYS 46 2HG LYS 46 -1.508 1.744 -9.533 350 HD2 LYS 46 1HD LYS 46 -1.631 -0.362 -8.259 351 HD3 LYS 46 2HD LYS 46 -3.253 -0.653 -8.890 352 HE2 LYS 46 1HE LYS 46 -2.361 -0.701 -11.186 353 HE3 LYS 46 2HE LYS 46 -0.739 -0.394 -10.567 354 HZ1 LYS 46 3HZ LYS 46 -2.278 -2.836 -10.574 355 HZ2 LYS 46 1HZ LYS 46 -1.514 -2.503 -9.099 356 HZ3 LYS 46 2HZ LYS 46 -0.595 -2.610 -10.523 357 H LEU 47 H LEU 47 -2.467 4.065 -5.987 358 HA LEU 47 HA LEU 47 -4.973 4.259 -4.616 359 HB2 LEU 47 1HB LEU 47 -2.247 5.448 -4.019 360 HB3 LEU 47 2HB LEU 47 -3.602 5.513 -2.895 361 HG LEU 47 HG LEU 47 -2.536 2.921 -4.056 362 HD11 LEU 47 1HD1 LEU 47 -0.736 3.931 -2.799 363 HD12 LEU 47 2HD1 LEU 47 -1.434 2.648 -1.812 364 HD13 LEU 47 3HD1 LEU 47 -1.824 4.334 -1.473 365 HD21 LEU 47 3HD2 LEU 47 -4.527 3.653 -1.903 366 HD22 LEU 47 1HD2 LEU 47 -3.655 2.124 -1.808 367 HD23 LEU 47 2HD2 LEU 47 -4.680 2.466 -3.197 368 H GLU 48 H GLU 48 -2.950 6.636 -6.284 369 HA GLU 48 HA GLU 48 -4.272 9.012 -5.541 370 HB2 GLU 48 1HB GLU 48 -2.198 8.889 -6.909 371 HB3 GLU 48 2HB GLU 48 -3.147 8.283 -8.265 372 HG2 GLU 48 1HG GLU 48 -4.464 10.360 -8.281 373 HG3 GLU 48 2HG GLU 48 -3.534 10.963 -6.908 374 H ILE 49 H ILE 49 -5.066 6.714 -8.165 375 HA ILE 49 HA ILE 49 -7.363 8.190 -9.094 376 HB ILE 49 HB ILE 49 -6.882 5.203 -9.278 377 HG12 ILE 49 1HG1 ILE 49 -4.893 6.309 -10.089 378 HG13 ILE 49 2HG1 ILE 49 -5.821 5.773 -11.487 379 HG21 ILE 49 1HG2 ILE 49 -8.480 7.153 -10.960 380 HG22 ILE 49 2HG2 ILE 49 -9.120 5.847 -9.962 381 HG23 ILE 49 3HG2 ILE 49 -8.176 5.473 -11.405 382 HD11 ILE 49 3HD1 ILE 49 -6.866 8.165 -11.412 383 HD12 ILE 49 1HD1 ILE 49 -5.239 7.970 -12.060 384 HD13 ILE 49 2HD1 ILE 49 -5.466 8.562 -10.415 385 H LEU 50 H LEU 50 -7.020 5.451 -6.813 386 HA LEU 50 HA LEU 50 -9.823 5.153 -6.342 387 HB2 LEU 50 1HB LEU 50 -8.230 3.395 -5.741 388 HB3 LEU 50 2HB LEU 50 -7.480 4.454 -4.548 389 HG LEU 50 HG LEU 50 -9.564 4.522 -3.250 390 HD11 LEU 50 1HD1 LEU 50 -11.347 4.371 -4.755 391 HD12 LEU 50 2HD1 LEU 50 -11.360 2.763 -4.038 392 HD13 LEU 50 3HD1 LEU 50 -10.637 3.012 -5.627 393 HD21 LEU 50 3HD2 LEU 50 -8.980 1.643 -3.975 394 HD22 LEU 50 1HD2 LEU 50 -9.510 2.281 -2.419 395 HD23 LEU 50 2HD2 LEU 50 -7.884 2.629 -3.007 396 H THR 51 H THR 51 -7.358 7.036 -4.560 397 HA THR 51 HA THR 51 -9.481 8.070 -2.761 398 HB THR 51 HB THR 51 -7.650 9.038 -1.493 399 HG1 THR 51 HG1 THR 51 -5.811 8.032 -3.354 400 HG21 THR 51 3HG2 THR 51 -6.402 7.021 -0.932 401 HG22 THR 51 1HG2 THR 51 -6.820 6.293 -2.484 402 HG23 THR 51 2HG2 THR 51 -8.074 6.578 -1.277 403 H GLY 52 H GLY 52 -7.896 8.959 -5.674 404 HA2 GLY 52 1HA GLY 52 -8.130 10.891 -6.991 405 HA3 GLY 52 2HA GLY 52 -9.442 11.367 -5.911 406 H GLY 53 H GLY 53 -6.872 10.767 -3.951 407 HA2 GLY 53 1HA GLY 53 -6.470 13.578 -3.386 408 HA3 GLY 53 2HA GLY 53 -5.625 12.243 -2.611 409 H CYS 54 H CYS 54 -3.904 14.057 -2.914 410 HA CYS 54 HA CYS 54 -2.679 14.047 -5.624 411 HB2 CYS 54 1HB CYS 54 -2.784 16.222 -4.636 412 HB3 CYS 54 2HB CYS 54 -2.182 15.625 -3.091 413 HG CYS 54 HG CYS 54 -0.153 15.168 -5.307 414 H ALA 55 H ALA 55 -1.071 12.640 -6.068 415 HA ALA 55 HA ALA 55 -0.001 10.847 -4.068 416 HB1 ALA 55 3HB ALA 55 0.798 11.401 -6.936 417 HB2 ALA 55 1HB ALA 55 -0.254 10.107 -6.361 418 HB3 ALA 55 2HB ALA 55 1.463 10.091 -5.959 419 H GLY 56 H GLY 56 0.845 14.018 -5.040 420 HA2 GLY 56 1HA GLY 56 3.701 13.805 -4.551 421 HA3 GLY 56 2HA GLY 56 2.791 15.309 -4.704 422 H THR 57 H THR 57 1.068 13.676 -2.496 423 HA THR 57 HA THR 57 2.792 14.349 -0.153 424 HB THR 57 HB THR 57 1.566 16.313 -0.044 425 HG1 THR 57 HG1 THR 57 0.824 14.609 1.603 426 HG21 THR 57 3HG2 THR 57 -0.633 14.795 -1.467 427 HG22 THR 57 1HG2 THR 57 0.390 16.069 -2.130 428 HG23 THR 57 2HG2 THR 57 -0.808 16.455 -0.894 429 H MET 58 H MET 58 1.150 12.042 -1.700 430 HA MET 58 HA MET 58 -0.472 10.962 0.468 431 HB2 MET 58 1HB MET 58 -0.920 10.525 -1.964 432 HB3 MET 58 2HB MET 58 0.543 9.540 -2.011 433 HG2 MET 58 1HG MET 58 -0.454 8.174 -0.118 434 HG3 MET 58 2HG MET 58 -1.954 9.061 -0.375 435 HE1 MET 58 3HE MET 58 -3.321 8.030 -3.656 436 HE2 MET 58 1HE MET 58 -2.182 9.383 -3.620 437 HE3 MET 58 2HE MET 58 -3.303 9.133 -2.283 438 H LYS 59 H LYS 59 0.126 9.493 1.992 439 HA LYS 59 HA LYS 59 2.953 8.471 1.947 440 HB2 LYS 59 1HB LYS 59 1.148 9.246 4.250 441 HB3 LYS 59 2HB LYS 59 2.683 8.400 4.448 442 HG2 LYS 59 1HG LYS 59 3.887 10.235 3.404 443 HG3 LYS 59 2HG LYS 59 2.374 11.057 3.029 444 HD2 LYS 59 1HD LYS 59 3.324 12.082 5.010 445 HD3 LYS 59 2HD LYS 59 1.890 11.175 5.485 446 HE2 LYS 59 1HE LYS 59 3.160 9.440 6.456 447 HE3 LYS 59 2HE LYS 59 4.627 9.907 5.595 448 HZ1 LYS 59 3HZ LYS 59 3.535 11.983 7.261 449 HZ2 LYS 59 1HZ LYS 59 5.130 11.420 7.134 450 HZ3 LYS 59 2HZ LYS 59 4.019 10.605 8.128 451 H VAL 60 H VAL 60 3.255 6.286 2.467 452 HA VAL 60 HA VAL 60 0.764 4.607 2.663 453 HB VAL 60 HB VAL 60 3.422 4.085 1.299 454 HG11 VAL 60 1HG1 VAL 60 1.179 2.203 2.049 455 HG12 VAL 60 2HG1 VAL 60 2.909 2.010 2.334 456 HG13 VAL 60 3HG1 VAL 60 2.263 1.859 0.701 457 HG21 VAL 60 3HG2 VAL 60 0.554 4.122 0.306 458 HG22 VAL 60 1HG2 VAL 60 1.977 3.787 -0.681 459 HG23 VAL 60 2HG2 VAL 60 1.753 5.386 0.026 460 H GLN 61 H GLN 61 0.660 3.266 4.422 461 HA GLN 61 HA GLN 61 3.170 2.763 5.988 462 HB2 GLN 61 1HB GLN 61 0.477 3.681 7.017 463 HB3 GLN 61 2HB GLN 61 1.737 3.011 8.056 464 HG2 GLN 61 1HG GLN 61 3.293 4.769 7.307 465 HG3 GLN 61 2HG GLN 61 2.039 5.438 6.264 466 HE21 GLN 61 2HE2 GLN 61 2.791 7.313 7.951 467 HE22 GLN 61 1HE2 GLN 61 1.776 7.462 9.302 468 H VAL 62 H VAL 62 3.349 0.695 6.762 469 HA VAL 62 HA VAL 62 1.253 -1.235 5.901 470 HB VAL 62 HB VAL 62 4.055 -1.670 6.987 471 HG11 VAL 62 1HG1 VAL 62 2.013 -3.567 5.792 472 HG12 VAL 62 2HG1 VAL 62 2.642 -3.597 7.438 473 HG13 VAL 62 3HG1 VAL 62 3.702 -3.983 6.083 474 HG21 VAL 62 3HG2 VAL 62 4.002 -0.559 4.781 475 HG22 VAL 62 1HG2 VAL 62 2.948 -1.833 4.167 476 HG23 VAL 62 2HG2 VAL 62 4.603 -2.211 4.646 477 H PHE 63 H PHE 63 -0.061 -2.211 7.376 478 HA PHE 63 HA PHE 63 0.673 -2.055 10.284 479 HB2 PHE 63 1HB PHE 63 -1.927 -1.352 8.915 480 HB3 PHE 63 2HB PHE 63 -1.909 -1.869 10.601 481 HD1 PHE 63 HD1 PHE 63 -0.452 -0.629 12.248 482 HD2 PHE 63 HD2 PHE 63 -1.279 0.866 8.309 483 HE1 PHE 63 HE1 PHE 63 0.246 1.637 12.966 484 HE2 PHE 63 HE2 PHE 63 -0.584 3.137 9.028 485 HZ PHE 63 HZ PHE 63 0.180 3.522 11.355 486 H LYS 64 H LYS 64 0.252 -3.892 11.446 487 HA LYS 64 HA LYS 64 -1.129 -6.157 10.049 488 HB2 LYS 64 1HB LYS 64 1.392 -6.387 10.019 489 HB3 LYS 64 2HB LYS 64 1.347 -6.419 11.783 490 HG2 LYS 64 1HG LYS 64 -0.056 -8.402 11.762 491 HG3 LYS 64 2HG LYS 64 -0.194 -8.331 10.006 492 HD2 LYS 64 1HD LYS 64 2.254 -8.659 9.810 493 HD3 LYS 64 2HD LYS 64 2.369 -8.770 11.567 494 HE2 LYS 64 1HE LYS 64 0.734 -10.613 9.798 495 HE3 LYS 64 2HE LYS 64 2.285 -11.017 10.535 496 HZ1 LYS 64 3HZ LYS 64 0.781 -11.862 12.038 497 HZ2 LYS 64 1HZ LYS 64 -0.328 -10.598 11.822 498 HZ3 LYS 64 2HZ LYS 64 1.098 -10.332 12.705 499 H GLY 65 H GLY 65 -2.973 -5.452 11.361 500 HA2 GLY 65 1HA GLY 65 -4.352 -6.127 13.188 501 HA3 GLY 65 2HA GLY 65 -2.918 -6.700 14.038 502 H ASP 66 H ASP 66 -1.839 -5.291 15.414 503 HA ASP 66 HA ASP 66 -2.867 -2.479 15.619 504 HB2 ASP 66 1HB ASP 66 -2.463 -4.536 17.804 505 HB3 ASP 66 2HB ASP 66 -2.550 -2.808 18.143 506 H THR 67 H THR 67 -0.423 -3.623 14.363 507 HA THR 67 HA THR 67 1.543 -1.973 15.871 508 HB THR 67 HB THR 67 1.784 -4.377 16.593 509 HG1 THR 67 HG1 THR 67 4.121 -4.349 15.738 510 HG21 THR 67 3HG2 THR 67 1.174 -5.258 14.271 511 HG22 THR 67 1HG2 THR 67 2.550 -6.031 15.057 512 HG23 THR 67 2HG2 THR 67 2.818 -4.835 13.790 513 H CYS 68 H CYS 68 3.305 -1.251 14.556 514 HA CYS 68 HA CYS 68 2.614 -1.142 11.672 515 HB2 CYS 68 1HB CYS 68 4.925 0.298 12.966 516 HB3 CYS 68 2HB CYS 68 3.957 0.778 11.571 517 HG CYS 68 HG CYS 68 2.545 0.664 14.339 518 H VAL 69 H VAL 69 3.801 -2.181 10.125 519 HA VAL 69 HA VAL 69 5.991 -3.963 11.027 520 HB VAL 69 HB VAL 69 4.835 -3.696 8.244 521 HG11 VAL 69 1HG1 VAL 69 5.629 -6.011 8.028 522 HG12 VAL 69 2HG1 VAL 69 6.204 -5.979 9.696 523 HG13 VAL 69 3HG1 VAL 69 6.958 -4.944 8.482 524 HG21 VAL 69 3HG2 VAL 69 3.920 -5.507 10.504 525 HG22 VAL 69 1HG2 VAL 69 3.299 -5.518 8.854 526 HG23 VAL 69 2HG2 VAL 69 3.019 -4.120 9.889 527 H SER 70 H SER 70 5.460 -1.499 8.475 528 HA SER 70 HA SER 70 8.043 -0.299 8.892 529 HB2 SER 70 1HB SER 70 8.819 -2.391 7.826 530 HB3 SER 70 2HB SER 70 7.763 -2.077 6.451 531 HG SER 70 HG SER 70 9.265 -0.829 5.706 532 H THR 71 H THR 71 8.490 1.361 7.186 533 HA THR 71 HA THR 71 5.936 2.325 5.926 534 HB THR 71 HB THR 71 8.350 3.869 6.920 535 HG1 THR 71 HG1 THR 71 7.228 4.030 8.668 536 HG21 THR 71 3HG2 THR 71 7.528 5.068 5.045 537 HG22 THR 71 1HG2 THR 71 6.763 5.831 6.438 538 HG23 THR 71 2HG2 THR 71 5.850 4.696 5.443 539 H MET 72 H MET 72 5.942 2.431 3.740 540 HA MET 72 HA MET 72 8.247 1.575 2.220 541 HB2 MET 72 1HB MET 72 5.586 2.777 1.410 542 HB3 MET 72 2HB MET 72 6.777 2.170 0.256 543 HG2 MET 72 1HG MET 72 6.695 -0.048 1.327 544 HG3 MET 72 2HG MET 72 5.520 0.552 2.494 545 HE1 MET 72 3HE MET 72 3.118 -1.623 0.583 546 HE2 MET 72 1HE MET 72 3.852 -1.141 2.118 547 HE3 MET 72 2HE MET 72 4.800 -2.023 0.923 548 H ASP 73 H ASP 73 9.817 3.216 2.944 549 HA ASP 73 HA ASP 73 9.382 5.975 1.919 550 HB2 ASP 73 1HB ASP 73 11.525 6.454 3.115 551 HB3 ASP 73 2HB ASP 73 10.285 5.786 4.178 552 H ASN 74 H ASN 74 10.972 3.026 1.084 553 HA ASN 74 HA ASN 74 12.913 4.360 -0.711 554 HB2 ASN 74 1HB ASN 74 13.592 2.345 0.547 555 HB3 ASN 74 2HB ASN 74 12.332 1.418 -0.267 556 HD21 ASN 74 2HD2 ASN 74 15.145 0.780 -0.521 557 HD22 ASN 74 1HD2 ASN 74 15.592 1.045 -2.138 558 H ASN 75 H ASN 75 12.093 5.106 -2.595 559 HA ASN 75 HA ASN 75 9.707 4.037 -3.837 560 HB2 ASN 75 1HB ASN 75 11.816 6.025 -4.686 561 HB3 ASN 75 2HB ASN 75 10.521 5.538 -5.780 562 HD21 ASN 75 2HD2 ASN 75 10.684 8.226 -4.863 563 HD22 ASN 75 1HD2 ASN 75 9.376 8.532 -3.827 564 H ASP 76 H ASP 76 13.128 3.390 -4.128 565 HA ASP 76 HA ASP 76 12.866 1.970 -6.674 566 HB2 ASP 76 1HB ASP 76 15.107 2.173 -4.641 567 HB3 ASP 76 2HB ASP 76 15.241 1.274 -6.153 568 H ALA 77 H ALA 77 11.924 1.246 -3.573 569 HA ALA 77 HA ALA 77 12.736 -1.577 -3.560 570 HB1 ALA 77 3HB ALA 77 11.011 0.123 -1.756 571 HB2 ALA 77 1HB ALA 77 12.581 -0.601 -1.407 572 HB3 ALA 77 2HB ALA 77 11.152 -1.623 -1.538 573 H GLN 78 H GLN 78 11.199 -3.340 -3.628 574 HA GLN 78 HA GLN 78 9.016 -2.842 -5.556 575 HB2 GLN 78 1HB GLN 78 10.220 -5.359 -4.391 576 HB3 GLN 78 2HB GLN 78 8.852 -5.364 -5.504 577 HG2 GLN 78 1HG GLN 78 10.189 -4.187 -7.189 578 HG3 GLN 78 2HG GLN 78 11.556 -4.119 -6.076 579 HE21 GLN 78 2HE2 GLN 78 10.285 -5.915 -8.618 580 HE22 GLN 78 1HE2 GLN 78 11.090 -7.382 -8.331 581 H LEU 79 H LEU 79 6.880 -3.881 -5.156 582 HA LEU 79 HA LEU 79 5.738 -3.037 -2.682 583 HB2 LEU 79 1HB LEU 79 4.399 -3.239 -4.720 584 HB3 LEU 79 2HB LEU 79 4.700 -4.973 -4.777 585 HG LEU 79 HG LEU 79 3.473 -5.293 -2.685 586 HD11 LEU 79 1HD1 LEU 79 2.159 -3.179 -1.868 587 HD12 LEU 79 2HD1 LEU 79 3.428 -2.276 -2.697 588 HD13 LEU 79 3HD1 LEU 79 3.840 -3.374 -1.379 589 HD21 LEU 79 3HD2 LEU 79 1.849 -3.482 -4.489 590 HD22 LEU 79 1HD2 LEU 79 1.269 -4.835 -3.517 591 HD23 LEU 79 2HD2 LEU 79 2.284 -5.135 -4.926 592 H GLY 80 H GLY 80 6.732 -6.270 -3.854 593 HA2 GLY 80 1HA GLY 80 5.827 -7.608 -1.444 594 HA3 GLY 80 2HA GLY 80 6.908 -8.301 -2.653 595 H TYR 81 H TYR 81 8.258 -5.418 -1.894 596 HA TYR 81 HA TYR 81 10.466 -6.558 -0.485 597 HB2 TYR 81 1HB TYR 81 10.473 -4.405 -1.812 598 HB3 TYR 81 2HB TYR 81 9.620 -3.647 -0.467 599 HD1 TYR 81 HD2 TYR 81 10.715 -3.435 1.758 600 HD2 TYR 81 HD1 TYR 81 12.800 -4.988 -1.660 601 HE1 TYR 81 HE2 TYR 81 12.878 -3.101 2.925 602 HE2 TYR 81 HE1 TYR 81 14.962 -4.656 -0.494 603 HH TYR 81 HH TYR 81 15.436 -2.728 1.982 604 H TYR 82 H TYR 82 7.670 -4.655 0.649 605 HA TYR 82 HA TYR 82 8.429 -5.268 3.482 606 HB2 TYR 82 1HB TYR 82 6.446 -3.261 2.358 607 HB3 TYR 82 2HB TYR 82 6.879 -3.444 4.058 608 HD1 TYR 82 HD2 TYR 82 9.256 -3.004 4.790 609 HD2 TYR 82 HD1 TYR 82 7.835 -2.042 0.852 610 HE1 TYR 82 HE2 TYR 82 11.194 -1.493 4.459 611 HE2 TYR 82 HE1 TYR 82 9.773 -0.531 0.521 612 HH TYR 82 HH TYR 82 11.739 0.142 1.352 613 H ALA 83 H ALA 83 5.883 -5.621 1.066 614 HA ALA 83 HA ALA 83 4.203 -7.121 3.041 615 HB1 ALA 83 3HB ALA 83 3.603 -5.841 0.365 616 HB2 ALA 83 1HB ALA 83 2.918 -5.443 1.942 617 HB3 ALA 83 2HB ALA 83 2.486 -6.958 1.150 618 H ASN 84 H ASN 84 5.719 -8.960 2.887 619 HA ASN 84 HA ASN 84 5.735 -10.404 0.287 620 HB2 ASN 84 1HB ASN 84 7.040 -11.187 2.910 621 HB3 ASN 84 2HB ASN 84 7.390 -11.834 1.308 622 HD21 ASN 84 2HD2 ASN 84 9.377 -11.015 0.619 623 HD22 ASN 84 1HD2 ASN 84 9.888 -9.409 0.823 624 H SER 85 H SER 85 3.588 -10.088 2.716 625 HA SER 85 HA SER 85 2.617 -12.905 2.414 626 HB2 SER 85 1HB SER 85 2.046 -13.002 4.776 627 HB3 SER 85 2HB SER 85 3.763 -12.643 4.618 628 HG SER 85 HG SER 85 1.937 -10.521 4.720 629 H ASP 86 H ASP 86 0.331 -13.126 2.613 630 HA ASP 86 HA ASP 86 -1.153 -10.721 1.788 631 HB2 ASP 86 1HB ASP 86 -2.065 -13.586 2.182 632 HB3 ASP 86 2HB ASP 86 -3.004 -12.300 1.421 633 H GLY 87 H GLY 87 -3.382 -10.378 2.819 634 HA2 GLY 87 1HA GLY 87 -4.804 -10.302 4.740 635 HA3 GLY 87 2HA GLY 87 -3.583 -11.186 5.656 636 H LEU 88 H LEU 88 -1.900 -8.868 4.087 637 HA LEU 88 HA LEU 88 -1.575 -7.272 6.496 638 HB2 LEU 88 1HB LEU 88 -0.536 -6.792 3.686 639 HB3 LEU 88 2HB LEU 88 0.038 -5.996 5.152 640 HG LEU 88 HG LEU 88 0.165 -8.979 4.611 641 HD11 LEU 88 1HD1 LEU 88 2.242 -6.779 4.513 642 HD12 LEU 88 2HD1 LEU 88 1.757 -7.861 3.207 643 HD13 LEU 88 3HD1 LEU 88 2.657 -8.491 4.587 644 HD21 LEU 88 3HD2 LEU 88 0.070 -8.818 6.949 645 HD22 LEU 88 1HD2 LEU 88 0.878 -7.249 6.981 646 HD23 LEU 88 2HD2 LEU 88 1.805 -8.717 6.664 647 H ARG 89 H ARG 89 -2.004 -4.987 6.659 648 HA ARG 89 HA ARG 89 -4.208 -4.022 4.849 649 HB2 ARG 89 1HB ARG 89 -4.995 -4.539 7.150 650 HB3 ARG 89 2HB ARG 89 -3.794 -3.421 7.797 651 HG2 ARG 89 1HG ARG 89 -4.822 -1.554 6.640 652 HG3 ARG 89 2HG ARG 89 -5.939 -2.633 5.808 653 HD2 ARG 89 1HD ARG 89 -5.813 -2.347 8.822 654 HD3 ARG 89 2HD ARG 89 -6.947 -1.461 7.799 655 HE ARG 89 HE ARG 89 -7.209 -4.211 7.162 656 HH11 ARG 89 1HH2 ARG 89 -7.639 -2.026 9.797 657 HH12 ARG 89 2HH2 ARG 89 -8.939 -2.926 10.503 658 HH21 ARG 89 1HH1 ARG 89 -8.908 -5.394 8.066 659 HH22 ARG 89 2HH1 ARG 89 -9.658 -4.833 9.523 660 H LEU 90 H LEU 90 -3.685 -2.218 3.755 661 HA LEU 90 HA LEU 90 -1.289 -0.645 4.605 662 HB2 LEU 90 1HB LEU 90 -2.805 -0.655 1.975 663 HB3 LEU 90 2HB LEU 90 -1.293 0.192 2.297 664 HG LEU 90 HG LEU 90 -1.692 -2.812 2.431 665 HD11 LEU 90 1HD1 LEU 90 -0.365 -1.009 0.392 666 HD12 LEU 90 2HD1 LEU 90 -1.732 -2.094 0.134 667 HD13 LEU 90 3HD1 LEU 90 -0.127 -2.755 0.444 668 HD21 LEU 90 3HD2 LEU 90 0.049 -2.400 3.947 669 HD22 LEU 90 1HD2 LEU 90 0.629 -0.990 3.059 670 HD23 LEU 90 2HD2 LEU 90 0.939 -2.614 2.443 671 H HIS 91 H HIS 91 -1.527 1.432 5.285 672 HA HIS 91 HA HIS 91 -4.273 2.648 5.135 673 HB2 HIS 91 1HB HIS 91 -3.442 2.063 7.432 674 HB3 HIS 91 2HB HIS 91 -2.100 3.183 7.181 675 HD1 HIS 91 HD1 HIS 91 -5.886 3.366 6.677 676 HD2 HIS 91 HD2 HIS 91 -2.756 5.642 8.223 677 HE1 HIS 91 HE1 HIS 91 -6.914 5.526 7.506 678 H VAL 92 H VAL 92 -4.374 4.404 3.853 679 HA VAL 92 HA VAL 92 -1.842 5.771 3.063 680 HB VAL 92 HB VAL 92 -4.661 5.806 1.943 681 HG11 VAL 92 1HG1 VAL 92 -2.211 7.423 1.238 682 HG12 VAL 92 2HG1 VAL 92 -3.835 8.013 1.591 683 HG13 VAL 92 3HG1 VAL 92 -3.517 7.154 0.083 684 HG21 VAL 92 3HG2 VAL 92 -3.261 3.802 1.478 685 HG22 VAL 92 1HG2 VAL 92 -2.017 4.853 0.801 686 HG23 VAL 92 2HG2 VAL 92 -3.593 4.731 0.017 687 H VAL 93 H VAL 93 -1.405 7.810 3.808 688 HA VAL 93 HA VAL 93 -3.593 9.272 5.278 689 HB VAL 93 HB VAL 93 -0.604 9.309 5.789 690 HG11 VAL 93 1HG1 VAL 93 -2.957 10.685 7.100 691 HG12 VAL 93 2HG1 VAL 93 -1.546 11.440 6.358 692 HG13 VAL 93 3HG1 VAL 93 -1.376 10.546 7.869 693 HG21 VAL 93 3HG2 VAL 93 -1.450 7.212 6.556 694 HG22 VAL 93 1HG2 VAL 93 -2.926 7.954 7.177 695 HG23 VAL 93 2HG2 VAL 93 -1.385 8.248 7.983 696 H ASP 94 H ASP 94 -4.136 11.152 4.333 697 HA ASP 94 HA ASP 94 -2.146 12.498 2.525 698 HB2 ASP 94 1HB ASP 94 -5.160 12.287 2.345 699 HB3 ASP 94 2HB ASP 94 -4.205 13.404 1.367 700 H SER 95 H SER 95 -1.825 14.688 2.833 701 HA SER 95 HA SER 95 -1.910 16.774 3.895 702 HB2 SER 95 1HB SER 95 -4.016 17.661 4.333 703 HB3 SER 95 2HB SER 95 -4.454 16.318 3.279 704 HG SER 95 HG SER 95 -5.722 16.069 5.032 Start of MODEL 15 1 H1 MET 1 1H MET 1 -5.458 -6.766 -30.460 2 H2 MET 1 2H MET 1 -3.975 -6.779 -31.289 3 H3 MET 1 3H MET 1 -4.019 -6.422 -29.629 4 HA MET 1 HA MET 1 -3.621 -8.887 -30.803 5 HB2 MET 1 1HB MET 1 -4.232 -8.005 -27.968 6 HB3 MET 1 2HB MET 1 -3.699 -9.635 -28.386 7 HG2 MET 1 1HG MET 1 -1.658 -8.703 -29.420 8 HG3 MET 1 2HG MET 1 -2.184 -7.076 -28.988 9 HE1 MET 1 3HE MET 1 0.795 -7.702 -26.651 10 HE2 MET 1 1HE MET 1 -0.140 -6.348 -27.296 11 HE3 MET 1 2HE MET 1 0.406 -7.636 -28.368 12 H GLY 2 H GLY 2 -4.794 -10.858 -30.659 13 HA2 GLY 2 1HA GLY 2 -7.682 -10.554 -30.982 14 HA3 GLY 2 2HA GLY 2 -6.778 -12.063 -31.114 15 H HIS 3 H HIS 3 -6.791 -9.807 -28.392 16 HA HIS 3 HA HIS 3 -7.321 -10.108 -26.145 17 HB2 HIS 3 1HB HIS 3 -9.606 -10.233 -26.941 18 HB3 HIS 3 2HB HIS 3 -9.415 -11.932 -27.364 19 HD1 HIS 3 HD1 HIS 3 -9.334 -9.676 -24.302 20 HD2 HIS 3 HD2 HIS 3 -9.940 -13.682 -25.279 21 HE1 HIS 3 HE1 HIS 3 -10.059 -10.831 -22.169 22 H HIS 4 H HIS 4 -6.179 -11.174 -24.666 23 HA HIS 4 HA HIS 4 -4.830 -13.648 -25.281 24 HB2 HIS 4 1HB HIS 4 -3.964 -13.490 -22.988 25 HB3 HIS 4 2HB HIS 4 -3.861 -11.927 -23.795 26 HD1 HIS 4 HD1 HIS 4 -5.818 -13.768 -21.146 27 HD2 HIS 4 HD2 HIS 4 -5.507 -9.908 -22.693 28 HE1 HIS 4 HE1 HIS 4 -7.124 -12.262 -19.584 29 H HIS 5 H HIS 5 -5.274 -15.719 -24.608 30 HA HIS 5 HA HIS 5 -7.329 -16.288 -22.615 31 HB2 HIS 5 1HB HIS 5 -8.684 -15.829 -24.665 32 HB3 HIS 5 2HB HIS 5 -7.808 -17.116 -25.497 33 HD1 HIS 5 HD1 HIS 5 -8.042 -19.567 -24.386 34 HD2 HIS 5 HD2 HIS 5 -10.799 -16.721 -23.093 35 HE1 HIS 5 HE1 HIS 5 -9.914 -20.845 -23.255 36 H HIS 6 H HIS 6 -5.578 -17.435 -21.650 37 HA HIS 6 HA HIS 6 -4.496 -19.771 -23.175 38 HB2 HIS 6 1HB HIS 6 -3.523 -18.352 -20.681 39 HB3 HIS 6 2HB HIS 6 -2.795 -19.826 -21.321 40 HD1 HIS 6 HD1 HIS 6 -2.058 -19.597 -23.982 41 HD2 HIS 6 HD2 HIS 6 -2.456 -16.060 -21.811 42 HE1 HIS 6 HE1 HIS 6 -0.806 -17.817 -25.278 43 H HIS 7 H HIS 7 -4.846 -21.831 -22.464 44 HA HIS 7 HA HIS 7 -7.036 -22.297 -20.619 45 HB2 HIS 7 1HB HIS 7 -6.748 -23.748 -22.533 46 HB3 HIS 7 2HB HIS 7 -5.109 -24.159 -22.034 47 HD1 HIS 7 HD1 HIS 7 -8.695 -24.532 -20.810 48 HD2 HIS 7 HD2 HIS 7 -4.971 -26.343 -20.331 49 HE1 HIS 7 HE1 HIS 7 -9.084 -26.612 -19.418 50 H HIS 8 H HIS 8 -6.560 -21.783 -18.525 51 HA HIS 8 HA HIS 8 -5.396 -21.707 -16.487 52 HB2 HIS 8 1HB HIS 8 -5.223 -24.634 -17.256 53 HB3 HIS 8 2HB HIS 8 -4.844 -24.011 -15.649 54 HD1 HIS 8 HD1 HIS 8 -7.698 -24.801 -17.907 55 HD2 HIS 8 HD2 HIS 8 -7.127 -22.903 -14.238 56 HE1 HIS 8 HE1 HIS 8 -9.991 -24.564 -16.856 57 H SER 9 H SER 9 -3.666 -20.390 -17.326 58 HA SER 9 HA SER 9 -1.253 -21.405 -18.464 59 HB2 SER 9 1HB SER 9 -1.744 -18.943 -16.757 60 HB3 SER 9 2HB SER 9 -0.277 -19.239 -17.687 61 HG SER 9 HG SER 9 -2.926 -19.078 -18.712 62 H HIS 10 H HIS 10 -2.227 -20.810 -15.100 63 HA HIS 10 HA HIS 10 -1.224 -21.444 -13.075 64 HB2 HIS 10 1HB HIS 10 -1.845 -23.672 -14.058 65 HB3 HIS 10 2HB HIS 10 -0.218 -23.773 -14.735 66 HD1 HIS 10 HD1 HIS 10 1.750 -24.149 -13.088 67 HD2 HIS 10 HD2 HIS 10 -1.976 -23.986 -11.226 68 HE1 HIS 10 HE1 HIS 10 2.099 -24.958 -10.714 69 H GLY 11 H GLY 11 0.450 -20.190 -15.478 70 HA2 GLY 11 1HA GLY 11 3.175 -20.745 -14.403 71 HA3 GLY 11 2HA GLY 11 2.816 -19.957 -15.939 72 H LYS 12 H LYS 12 1.315 -17.868 -15.494 73 HA LYS 12 HA LYS 12 3.016 -16.079 -13.966 74 HB2 LYS 12 1HB LYS 12 0.371 -15.637 -15.364 75 HB3 LYS 12 2HB LYS 12 1.317 -14.350 -14.616 76 HG2 LYS 12 1HG LYS 12 3.249 -14.992 -16.073 77 HG3 LYS 12 2HG LYS 12 2.204 -16.153 -16.885 78 HD2 LYS 12 1HD LYS 12 1.522 -13.211 -16.675 79 HD3 LYS 12 2HD LYS 12 2.433 -13.878 -18.028 80 HE2 LYS 12 1HE LYS 12 0.485 -15.531 -18.319 81 HE3 LYS 12 2HE LYS 12 -0.415 -14.493 -17.215 82 HZ1 LYS 12 3HZ LYS 12 0.552 -13.927 -19.925 83 HZ2 LYS 12 1HZ LYS 12 0.416 -12.642 -18.826 84 HZ3 LYS 12 2HZ LYS 12 -0.951 -13.572 -19.216 85 H SER 13 H SER 13 2.563 -15.002 -12.058 86 HA SER 13 HA SER 13 0.020 -15.207 -10.686 87 HB2 SER 13 1HB SER 13 0.679 -16.608 -8.844 88 HB3 SER 13 2HB SER 13 1.057 -17.500 -10.315 89 HG SER 13 HG SER 13 2.824 -17.535 -8.904 90 H ASP 14 H ASP 14 2.333 -15.323 -8.333 91 HA ASP 14 HA ASP 14 3.297 -13.706 -6.960 92 HB2 ASP 14 1HB ASP 14 3.762 -12.466 -9.685 93 HB3 ASP 14 2HB ASP 14 4.374 -11.750 -8.197 94 H PHE 15 H PHE 15 0.627 -13.621 -6.830 95 HA PHE 15 HA PHE 15 0.005 -10.683 -6.778 96 HB2 PHE 15 1HB PHE 15 -1.725 -13.013 -7.628 97 HB3 PHE 15 2HB PHE 15 -2.424 -11.480 -7.104 98 HD1 PHE 15 HD2 PHE 15 -1.619 -9.337 -8.248 99 HD2 PHE 15 HD1 PHE 15 -0.920 -13.259 -9.839 100 HE1 PHE 15 HE2 PHE 15 -1.187 -8.352 -10.480 101 HE2 PHE 15 HE1 PHE 15 -0.482 -12.278 -12.074 102 HZ PHE 15 HZ PHE 15 -0.617 -9.823 -12.395 103 H ILE 16 H ILE 16 -0.912 -9.935 -4.929 104 HA ILE 16 HA ILE 16 -1.593 -11.920 -2.783 105 HB ILE 16 HB ILE 16 -0.574 -10.390 -1.143 106 HG12 ILE 16 1HG1 ILE 16 0.429 -8.840 -3.557 107 HG13 ILE 16 2HG1 ILE 16 -0.871 -8.288 -2.503 108 HG21 ILE 16 1HG2 ILE 16 1.434 -10.925 -3.330 109 HG22 ILE 16 2HG2 ILE 16 0.717 -12.231 -2.387 110 HG23 ILE 16 3HG2 ILE 16 1.681 -10.990 -1.586 111 HD11 ILE 16 3HD1 ILE 16 0.737 -8.510 -0.561 112 HD12 ILE 16 1HD1 ILE 16 1.145 -7.244 -1.720 113 HD13 ILE 16 2HD1 ILE 16 2.016 -8.778 -1.745 114 H LYS 17 H LYS 17 -3.192 -11.191 -1.289 115 HA LYS 17 HA LYS 17 -4.875 -8.922 -2.312 116 HB2 LYS 17 1HB LYS 17 -6.747 -10.206 -1.121 117 HB3 LYS 17 2HB LYS 17 -6.136 -10.902 -2.618 118 HG2 LYS 17 1HG LYS 17 -4.665 -12.406 -1.294 119 HG3 LYS 17 2HG LYS 17 -5.348 -11.738 0.189 120 HD2 LYS 17 1HD LYS 17 -7.596 -12.474 -0.505 121 HD3 LYS 17 2HD LYS 17 -6.919 -13.142 -1.989 122 HE2 LYS 17 1HE LYS 17 -5.515 -14.679 -0.664 123 HE3 LYS 17 2HE LYS 17 -6.188 -14.013 0.822 124 HZ1 LYS 17 3HZ LYS 17 -7.317 -16.046 0.189 125 HZ2 LYS 17 1HZ LYS 17 -7.727 -15.383 -1.317 126 HZ3 LYS 17 2HZ LYS 17 -8.384 -14.728 0.106 127 H VAL 18 H VAL 18 -4.847 -7.224 -0.986 128 HA VAL 18 HA VAL 18 -4.748 -7.668 1.967 129 HB VAL 18 HB VAL 18 -3.211 -5.707 2.150 130 HG11 VAL 18 1HG1 VAL 18 -1.201 -6.945 1.525 131 HG12 VAL 18 2HG1 VAL 18 -2.141 -7.976 0.446 132 HG13 VAL 18 3HG1 VAL 18 -2.394 -8.061 2.190 133 HG21 VAL 18 3HG2 VAL 18 -1.962 -5.066 0.075 134 HG22 VAL 18 1HG2 VAL 18 -3.671 -4.634 0.009 135 HG23 VAL 18 2HG2 VAL 18 -3.085 -6.051 -0.862 136 H ASN 19 H ASN 19 -5.450 -5.689 3.154 137 HA ASN 19 HA ASN 19 -7.757 -4.467 1.743 138 HB2 ASN 19 1HB ASN 19 -6.896 -4.562 4.644 139 HB3 ASN 19 2HB ASN 19 -8.287 -3.633 4.079 140 HD21 ASN 19 2HD2 ASN 19 -8.653 -5.810 5.882 141 HD22 ASN 19 1HD2 ASN 19 -9.457 -7.064 5.067 142 H VAL 20 H VAL 20 -7.969 -2.241 1.456 143 HA VAL 20 HA VAL 20 -5.568 -0.560 2.134 144 HB VAL 20 HB VAL 20 -7.290 -0.572 -0.354 145 HG11 VAL 20 1HG1 VAL 20 -5.348 1.484 0.712 146 HG12 VAL 20 2HG1 VAL 20 -6.988 1.737 0.114 147 HG13 VAL 20 3HG1 VAL 20 -5.690 1.343 -1.013 148 HG21 VAL 20 3HG2 VAL 20 -5.214 -1.054 -1.487 149 HG22 VAL 20 1HG2 VAL 20 -5.355 -2.187 -0.143 150 HG23 VAL 20 2HG2 VAL 20 -4.288 -0.788 -0.010 151 H SER 21 H SER 21 -6.006 1.273 3.219 152 HA SER 21 HA SER 21 -8.785 2.361 3.217 153 HB2 SER 21 1HB SER 21 -8.746 2.591 5.648 154 HB3 SER 21 2HB SER 21 -8.516 0.898 5.221 155 HG SER 21 HG SER 21 -6.240 2.488 5.427 156 H ASN 22 H ASN 22 -8.812 4.610 4.119 157 HA ASN 22 HA ASN 22 -6.181 5.971 4.169 158 HB2 ASN 22 1HB ASN 22 -6.705 7.525 2.422 159 HB3 ASN 22 2HB ASN 22 -6.999 5.917 1.764 160 HD21 ASN 22 2HD2 ASN 22 -8.295 8.075 0.556 161 HD22 ASN 22 1HD2 ASN 22 -9.953 8.037 0.922 162 H SER 23 H SER 23 -6.421 8.257 4.844 163 HA SER 23 HA SER 23 -8.195 8.468 7.096 164 HB2 SER 23 1HB SER 23 -6.501 10.543 5.686 165 HB3 SER 23 2HB SER 23 -7.325 10.811 7.219 166 HG SER 23 HG SER 23 -6.005 9.392 8.188 167 H HIS 24 H HIS 24 -10.008 9.762 7.378 168 HA HIS 24 HA HIS 24 -12.027 10.770 6.790 169 HB2 HIS 24 1HB HIS 24 -10.435 11.892 4.461 170 HB3 HIS 24 2HB HIS 24 -11.957 12.513 5.093 171 HD1 HIS 24 HD1 HIS 24 -8.297 12.299 5.873 172 HD2 HIS 24 HD2 HIS 24 -11.741 13.952 7.540 173 HE1 HIS 24 HE1 HIS 24 -7.522 13.846 7.720 174 H ASN 25 H ASN 25 -13.621 10.980 4.885 175 HA ASN 25 HA ASN 25 -14.958 9.880 3.328 176 HB2 ASN 25 1HB ASN 25 -12.213 9.132 2.285 177 HB3 ASN 25 2HB ASN 25 -13.707 8.714 1.452 178 HD21 ASN 25 2HD2 ASN 25 -11.784 10.485 0.285 179 HD22 ASN 25 1HD2 ASN 25 -12.476 12.032 0.188 180 H ASP 26 H ASP 26 -15.972 7.876 2.993 181 HA ASP 26 HA ASP 26 -15.099 5.714 4.843 182 HB2 ASP 26 1HB ASP 26 -17.483 6.621 4.795 183 HB3 ASP 26 2HB ASP 26 -17.644 5.873 3.206 184 H ALA 27 H ALA 27 -14.458 6.558 1.745 185 HA ALA 27 HA ALA 27 -14.987 4.233 0.194 186 HB1 ALA 27 3HB ALA 27 -14.217 6.375 -0.773 187 HB2 ALA 27 1HB ALA 27 -13.186 5.038 -1.278 188 HB3 ALA 27 2HB ALA 27 -12.640 6.143 -0.017 189 H VAL 28 H VAL 28 -14.422 2.232 0.937 190 HA VAL 28 HA VAL 28 -11.558 1.793 1.718 191 HB VAL 28 HB VAL 28 -14.058 0.693 3.028 192 HG11 VAL 28 1HG1 VAL 28 -12.576 -1.169 2.894 193 HG12 VAL 28 2HG1 VAL 28 -12.315 -0.492 4.501 194 HG13 VAL 28 3HG1 VAL 28 -11.162 -0.163 3.208 195 HG21 VAL 28 3HG2 VAL 28 -13.115 1.749 5.026 196 HG22 VAL 28 1HG2 VAL 28 -13.254 2.946 3.737 197 HG23 VAL 28 2HG2 VAL 28 -11.685 2.238 4.119 198 H ALA 29 H ALA 29 -10.603 0.123 0.682 199 HA ALA 29 HA ALA 29 -12.312 -1.594 -1.090 200 HB1 ALA 29 3HB ALA 29 -9.320 -1.239 -1.304 201 HB2 ALA 29 1HB ALA 29 -10.439 -0.100 -2.049 202 HB3 ALA 29 2HB ALA 29 -10.451 -1.793 -2.537 203 H PHE 30 H PHE 30 -11.830 -3.869 -1.162 204 HA PHE 30 HA PHE 30 -10.244 -4.903 1.170 205 HB2 PHE 30 1HB PHE 30 -12.940 -5.840 0.158 206 HB3 PHE 30 2HB PHE 30 -11.962 -6.718 1.334 207 HD1 PHE 30 HD2 PHE 30 -11.396 -5.649 3.534 208 HD2 PHE 30 HD1 PHE 30 -14.207 -3.909 0.791 209 HE1 PHE 30 HE2 PHE 30 -12.290 -4.225 5.355 210 HE2 PHE 30 HE1 PHE 30 -15.102 -2.484 2.613 211 HZ PHE 30 HZ PHE 30 -14.144 -2.643 4.895 212 H GLU 31 H GLU 31 -9.237 -6.896 0.862 213 HA GLU 31 HA GLU 31 -7.844 -8.276 -0.422 214 HB2 GLU 31 1HB GLU 31 -10.607 -8.784 -1.554 215 HB3 GLU 31 2HB GLU 31 -9.206 -9.795 -1.915 216 HG2 GLU 31 1HG GLU 31 -8.895 -10.242 0.489 217 HG3 GLU 31 2HG GLU 31 -10.285 -9.222 0.861 218 H VAL 32 H VAL 32 -7.129 -5.972 -1.390 219 HA VAL 32 HA VAL 32 -7.830 -5.585 -4.183 220 HB VAL 32 HB VAL 32 -6.361 -3.731 -4.102 221 HG11 VAL 32 1HG1 VAL 32 -7.357 -4.014 -1.270 222 HG12 VAL 32 2HG1 VAL 32 -8.406 -3.628 -2.635 223 HG13 VAL 32 3HG1 VAL 32 -7.115 -2.519 -2.175 224 HG21 VAL 32 3HG2 VAL 32 -4.816 -3.446 -2.051 225 HG22 VAL 32 1HG2 VAL 32 -4.316 -4.606 -3.280 226 HG23 VAL 32 2HG2 VAL 32 -5.068 -5.173 -1.791 227 H LYS 33 H LYS 33 -6.866 -6.576 -5.890 228 HA LYS 33 HA LYS 33 -4.621 -8.418 -5.386 229 HB2 LYS 33 1HB LYS 33 -6.565 -9.125 -6.738 230 HB3 LYS 33 2HB LYS 33 -6.211 -7.848 -7.902 231 HG2 LYS 33 1HG LYS 33 -4.055 -8.849 -8.415 232 HG3 LYS 33 2HG LYS 33 -4.288 -10.069 -7.162 233 HD2 LYS 33 1HD LYS 33 -6.282 -10.907 -8.359 234 HD3 LYS 33 2HD LYS 33 -6.015 -9.710 -9.628 235 HE2 LYS 33 1HE LYS 33 -3.971 -11.789 -8.824 236 HE3 LYS 33 2HE LYS 33 -5.096 -11.993 -10.164 237 HZ1 LYS 33 3HZ LYS 33 -4.142 -10.217 -11.322 238 HZ2 LYS 33 1HZ LYS 33 -2.816 -11.080 -10.711 239 HZ3 LYS 33 2HZ LYS 33 -3.312 -9.642 -9.955 240 H LEU 34 H LEU 34 -2.590 -7.655 -5.542 241 HA LEU 34 HA LEU 34 -1.916 -5.752 -7.749 242 HB2 LEU 34 1HB LEU 34 -1.022 -5.560 -4.856 243 HB3 LEU 34 2HB LEU 34 -0.386 -4.572 -6.170 244 HG LEU 34 HG LEU 34 -3.318 -4.693 -5.399 245 HD11 LEU 34 1HD1 LEU 34 -1.125 -2.751 -4.633 246 HD12 LEU 34 2HD1 LEU 34 -2.155 -3.694 -3.556 247 HD13 LEU 34 3HD1 LEU 34 -2.841 -2.366 -4.492 248 HD21 LEU 34 3HD2 LEU 34 -1.711 -3.116 -7.412 249 HD22 LEU 34 1HD2 LEU 34 -3.167 -2.409 -6.716 250 HD23 LEU 34 2HD2 LEU 34 -3.270 -3.915 -7.616 251 H ALA 35 H ALA 35 -0.095 -6.294 -8.822 252 HA ALA 35 HA ALA 35 1.128 -8.854 -8.322 253 HB1 ALA 35 3HB ALA 35 2.831 -7.685 -10.099 254 HB2 ALA 35 1HB ALA 35 1.418 -6.647 -10.297 255 HB3 ALA 35 2HB ALA 35 1.281 -8.380 -10.573 256 H LYS 36 H LYS 36 3.134 -9.330 -7.478 257 HA LYS 36 HA LYS 36 4.207 -7.610 -5.441 258 HB2 LYS 36 1HB LYS 36 5.314 -10.087 -6.784 259 HB3 LYS 36 2HB LYS 36 6.041 -9.324 -5.371 260 HG2 LYS 36 1HG LYS 36 3.939 -9.654 -4.116 261 HG3 LYS 36 2HG LYS 36 3.220 -10.425 -5.530 262 HD2 LYS 36 1HD LYS 36 4.973 -12.173 -5.463 263 HD3 LYS 36 2HD LYS 36 5.669 -11.411 -4.033 264 HE2 LYS 36 1HE LYS 36 3.551 -11.757 -2.814 265 HE3 LYS 36 2HE LYS 36 2.858 -12.528 -4.242 266 HZ1 LYS 36 3HZ LYS 36 3.644 -14.222 -2.795 267 HZ2 LYS 36 1HZ LYS 36 5.159 -13.477 -2.629 268 HZ3 LYS 36 2HZ LYS 36 4.708 -14.157 -4.119 269 H ASP 37 H ASP 37 5.005 -8.152 -8.820 270 HA ASP 37 HA ASP 37 7.609 -6.905 -8.759 271 HB2 ASP 37 1HB ASP 37 5.641 -7.430 -11.004 272 HB3 ASP 37 2HB ASP 37 7.254 -6.765 -11.265 273 H LEU 38 H LEU 38 4.635 -5.557 -8.187 274 HA LEU 38 HA LEU 38 4.917 -3.099 -9.717 275 HB2 LEU 38 1HB LEU 38 3.160 -3.931 -7.409 276 HB3 LEU 38 2HB LEU 38 3.116 -2.296 -8.064 277 HG LEU 38 HG LEU 38 2.726 -4.799 -9.729 278 HD11 LEU 38 1HD1 LEU 38 0.696 -2.930 -8.475 279 HD12 LEU 38 2HD1 LEU 38 0.903 -4.652 -8.144 280 HD13 LEU 38 3HD1 LEU 38 0.308 -4.122 -9.717 281 HD21 LEU 38 3HD2 LEU 38 2.685 -1.844 -10.296 282 HD22 LEU 38 1HD2 LEU 38 1.544 -2.865 -11.168 283 HD23 LEU 38 2HD2 LEU 38 3.269 -3.170 -11.300 284 H THR 39 H THR 39 5.884 -1.212 -9.115 285 HA THR 39 HA THR 39 7.623 -1.301 -6.740 286 HB THR 39 HB THR 39 8.556 0.791 -7.612 287 HG1 THR 39 HG1 THR 39 6.973 0.681 -9.878 288 HG21 THR 39 3HG2 THR 39 9.305 -0.065 -9.833 289 HG22 THR 39 1HG2 THR 39 8.077 -1.327 -9.727 290 HG23 THR 39 2HG2 THR 39 9.403 -1.286 -8.565 291 H VAL 40 H VAL 40 7.734 0.709 -5.366 292 HA VAL 40 HA VAL 40 5.224 1.187 -4.078 293 HB VAL 40 HB VAL 40 7.897 2.594 -3.937 294 HG11 VAL 40 1HG1 VAL 40 6.921 3.433 -1.700 295 HG12 VAL 40 2HG1 VAL 40 5.345 3.040 -2.387 296 HG13 VAL 40 3HG1 VAL 40 6.379 4.235 -3.172 297 HG21 VAL 40 3HG2 VAL 40 7.788 0.227 -3.170 298 HG22 VAL 40 1HG2 VAL 40 6.509 0.677 -2.041 299 HG23 VAL 40 2HG2 VAL 40 8.130 1.345 -1.849 300 H ALA 41 H ALA 41 7.156 3.196 -6.311 301 HA ALA 41 HA ALA 41 5.486 5.504 -6.241 302 HB1 ALA 41 3HB ALA 41 7.046 4.459 -8.620 303 HB2 ALA 41 1HB ALA 41 7.775 5.349 -7.283 304 HB3 ALA 41 2HB ALA 41 6.576 6.131 -8.317 305 H GLN 42 H GLN 42 5.373 2.595 -8.278 306 HA GLN 42 HA GLN 42 3.192 3.435 -9.945 307 HB2 GLN 42 1HB GLN 42 4.221 0.703 -9.133 308 HB3 GLN 42 2HB GLN 42 2.920 0.926 -10.302 309 HG2 GLN 42 1HG GLN 42 4.387 2.238 -11.745 310 HG3 GLN 42 2HG GLN 42 5.681 2.158 -10.552 311 HE21 GLN 42 2HE2 GLN 42 5.212 0.955 -13.440 312 HE22 GLN 42 1HE2 GLN 42 5.723 -0.655 -13.256 313 H LEU 43 H LEU 43 3.353 1.762 -6.834 314 HA LEU 43 HA LEU 43 0.582 1.100 -6.632 315 HB2 LEU 43 1HB LEU 43 2.290 0.138 -5.134 316 HB3 LEU 43 2HB LEU 43 2.580 1.728 -4.433 317 HG LEU 43 HG LEU 43 0.265 1.812 -3.603 318 HD11 LEU 43 1HD1 LEU 43 0.043 -0.737 -5.188 319 HD12 LEU 43 2HD1 LEU 43 -1.082 0.618 -5.084 320 HD13 LEU 43 3HD1 LEU 43 -0.962 -0.526 -3.753 321 HD21 LEU 43 3HD2 LEU 43 1.477 -0.863 -2.863 322 HD22 LEU 43 1HD2 LEU 43 0.495 0.196 -1.849 323 HD23 LEU 43 2HD2 LEU 43 2.131 0.676 -2.300 324 H LYS 44 H LYS 44 2.412 3.989 -5.696 325 HA LYS 44 HA LYS 44 0.298 5.350 -4.349 326 HB2 LYS 44 1HB LYS 44 2.721 6.365 -5.849 327 HB3 LYS 44 2HB LYS 44 1.635 7.425 -4.951 328 HG2 LYS 44 1HG LYS 44 2.062 6.119 -2.895 329 HG3 LYS 44 2HG LYS 44 3.154 5.067 -3.796 330 HD2 LYS 44 1HD LYS 44 4.632 6.953 -4.283 331 HD3 LYS 44 2HD LYS 44 3.517 8.061 -3.482 332 HE2 LYS 44 1HE LYS 44 3.845 6.876 -1.352 333 HE3 LYS 44 2HE LYS 44 4.938 5.742 -2.140 334 HZ1 LYS 44 3HZ LYS 44 6.253 7.396 -1.101 335 HZ2 LYS 44 1HZ LYS 44 5.330 8.656 -1.759 336 HZ3 LYS 44 2HZ LYS 44 6.312 7.709 -2.770 337 H THR 45 H THR 45 1.217 5.235 -7.771 338 HA THR 45 HA THR 45 -0.553 7.258 -8.721 339 HB THR 45 HB THR 45 0.150 4.697 -10.180 340 HG1 THR 45 HG1 THR 45 1.744 6.801 -10.706 341 HG21 THR 45 3HG2 THR 45 -0.223 7.506 -11.237 342 HG22 THR 45 1HG2 THR 45 -1.529 6.323 -11.164 343 HG23 THR 45 2HG2 THR 45 -0.112 6.010 -12.165 344 H LYS 46 H LYS 46 -1.043 3.752 -8.291 345 HA LYS 46 HA LYS 46 -3.748 3.684 -9.238 346 HB2 LYS 46 1HB LYS 46 -2.279 1.937 -7.240 347 HB3 LYS 46 2HB LYS 46 -3.877 1.564 -7.884 348 HG2 LYS 46 1HG LYS 46 -2.968 1.538 -10.169 349 HG3 LYS 46 2HG LYS 46 -1.371 1.950 -9.546 350 HD2 LYS 46 1HD LYS 46 -1.380 -0.141 -8.199 351 HD3 LYS 46 2HD LYS 46 -2.939 -0.566 -8.906 352 HE2 LYS 46 1HE LYS 46 -0.424 -0.051 -10.520 353 HE3 LYS 46 2HE LYS 46 -0.997 -1.655 -10.062 354 HZ1 LYS 46 3HZ LYS 46 -2.336 0.325 -11.809 355 HZ2 LYS 46 1HZ LYS 46 -3.148 -1.017 -11.163 356 HZ3 LYS 46 2HZ LYS 46 -1.828 -1.247 -12.206 357 H LEU 47 H LEU 47 -2.357 4.127 -6.004 358 HA LEU 47 HA LEU 47 -4.849 4.289 -4.601 359 HB2 LEU 47 1HB LEU 47 -2.118 5.433 -3.975 360 HB3 LEU 47 2HB LEU 47 -3.471 5.461 -2.847 361 HG LEU 47 HG LEU 47 -2.377 2.926 -4.104 362 HD11 LEU 47 1HD1 LEU 47 -0.634 3.878 -2.725 363 HD12 LEU 47 2HD1 LEU 47 -1.362 2.542 -1.834 364 HD13 LEU 47 3HD1 LEU 47 -1.777 4.207 -1.422 365 HD21 LEU 47 3HD2 LEU 47 -4.531 2.381 -3.362 366 HD22 LEU 47 1HD2 LEU 47 -4.485 3.541 -2.034 367 HD23 LEU 47 2HD2 LEU 47 -3.584 2.031 -1.922 368 H GLU 48 H GLU 48 -2.814 6.719 -6.182 369 HA GLU 48 HA GLU 48 -4.073 9.069 -5.281 370 HB2 GLU 48 1HB GLU 48 -2.049 8.959 -6.777 371 HB3 GLU 48 2HB GLU 48 -3.129 8.571 -8.119 372 HG2 GLU 48 1HG GLU 48 -4.353 10.681 -7.743 373 HG3 GLU 48 2HG GLU 48 -3.266 11.067 -6.413 374 H ILE 49 H ILE 49 -4.965 7.033 -8.082 375 HA ILE 49 HA ILE 49 -7.270 8.608 -8.796 376 HB ILE 49 HB ILE 49 -6.816 5.645 -9.273 377 HG12 ILE 49 1HG1 ILE 49 -6.071 7.973 -11.068 378 HG13 ILE 49 2HG1 ILE 49 -4.919 7.162 -10.008 379 HG21 ILE 49 1HG2 ILE 49 -9.101 6.397 -9.751 380 HG22 ILE 49 2HG2 ILE 49 -8.249 6.080 -11.262 381 HG23 ILE 49 3HG2 ILE 49 -8.479 7.739 -10.710 382 HD11 ILE 49 3HD1 ILE 49 -5.328 5.031 -11.135 383 HD12 ILE 49 1HD1 ILE 49 -4.865 6.251 -12.322 384 HD13 ILE 49 2HD1 ILE 49 -6.557 5.781 -12.153 385 H LEU 50 H LEU 50 -6.845 5.702 -6.799 386 HA LEU 50 HA LEU 50 -9.602 5.293 -6.189 387 HB2 LEU 50 1HB LEU 50 -7.871 3.585 -5.778 388 HB3 LEU 50 2HB LEU 50 -7.145 4.617 -4.550 389 HG LEU 50 HG LEU 50 -9.177 4.486 -3.185 390 HD11 LEU 50 1HD1 LEU 50 -10.228 3.051 -5.613 391 HD12 LEU 50 2HD1 LEU 50 -11.001 4.293 -4.627 392 HD13 LEU 50 3HD1 LEU 50 -10.874 2.645 -4.023 393 HD21 LEU 50 3HD2 LEU 50 -7.433 2.737 -2.938 394 HD22 LEU 50 1HD2 LEU 50 -8.277 1.745 -4.129 395 HD23 LEU 50 2HD2 LEU 50 -9.043 2.111 -2.583 396 H THR 51 H THR 51 -7.088 7.171 -4.501 397 HA THR 51 HA THR 51 -9.062 8.063 -2.479 398 HB THR 51 HB THR 51 -7.085 9.221 -1.484 399 HG1 THR 51 HG1 THR 51 -5.131 8.130 -2.806 400 HG21 THR 51 3HG2 THR 51 -6.311 6.388 -2.189 401 HG22 THR 51 1HG2 THR 51 -7.662 6.735 -1.110 402 HG23 THR 51 2HG2 THR 51 -6.033 7.254 -0.678 403 H GLY 52 H GLY 52 -7.746 9.094 -5.482 404 HA2 GLY 52 1HA GLY 52 -8.148 11.036 -6.745 405 HA3 GLY 52 2HA GLY 52 -9.420 11.426 -5.588 406 H GLY 53 H GLY 53 -6.938 11.037 -3.598 407 HA2 GLY 53 1HA GLY 53 -6.510 13.885 -3.270 408 HA3 GLY 53 2HA GLY 53 -5.759 12.611 -2.313 409 H CYS 54 H CYS 54 -3.949 14.310 -2.652 410 HA CYS 54 HA CYS 54 -2.608 14.153 -5.273 411 HB2 CYS 54 1HB CYS 54 -2.502 16.298 -4.226 412 HB3 CYS 54 2HB CYS 54 -2.013 15.602 -2.682 413 HG CYS 54 HG CYS 54 -0.122 15.536 -5.180 414 H ALA 55 H ALA 55 -1.110 12.671 -5.742 415 HA ALA 55 HA ALA 55 -0.327 10.587 -3.936 416 HB1 ALA 55 3HB ALA 55 -0.362 10.595 -6.517 417 HB2 ALA 55 1HB ALA 55 0.990 9.777 -5.737 418 HB3 ALA 55 2HB ALA 55 1.206 11.392 -6.412 419 H GLY 56 H GLY 56 1.223 13.604 -4.943 420 HA2 GLY 56 1HA GLY 56 3.797 13.129 -3.826 421 HA3 GLY 56 2HA GLY 56 3.099 14.726 -4.094 422 H THR 57 H THR 57 0.840 14.459 -2.360 423 HA THR 57 HA THR 57 2.224 14.772 0.240 424 HB THR 57 HB THR 57 -0.652 15.297 -0.576 425 HG1 THR 57 HG1 THR 57 1.561 17.032 -0.208 426 HG21 THR 57 3HG2 THR 57 0.906 15.749 1.962 427 HG22 THR 57 1HG2 THR 57 -0.704 15.061 1.756 428 HG23 THR 57 2HG2 THR 57 -0.452 16.791 1.539 429 H MET 58 H MET 58 0.813 12.279 -1.443 430 HA MET 58 HA MET 58 -0.643 11.035 0.778 431 HB2 MET 58 1HB MET 58 -1.231 10.673 -1.648 432 HB3 MET 58 2HB MET 58 0.271 9.768 -1.819 433 HG2 MET 58 1HG MET 58 -0.579 8.347 0.165 434 HG3 MET 58 2HG MET 58 -2.147 9.087 -0.151 435 HE1 MET 58 3HE MET 58 -3.312 7.873 -3.438 436 HE2 MET 58 1HE MET 58 -2.322 9.335 -3.385 437 HE3 MET 58 2HE MET 58 -3.450 8.981 -2.080 438 H LYS 59 H LYS 59 0.102 9.361 2.073 439 HA LYS 59 HA LYS 59 2.952 8.490 1.708 440 HB2 LYS 59 1HB LYS 59 1.530 9.259 4.266 441 HB3 LYS 59 2HB LYS 59 3.095 8.446 4.216 442 HG2 LYS 59 1HG LYS 59 3.941 10.330 2.774 443 HG3 LYS 59 2HG LYS 59 2.419 11.167 3.066 444 HD2 LYS 59 1HD LYS 59 4.228 10.201 5.293 445 HD3 LYS 59 2HD LYS 59 4.323 11.825 4.615 446 HE2 LYS 59 1HE LYS 59 1.813 12.019 5.140 447 HE3 LYS 59 2HE LYS 59 2.021 10.564 6.115 448 HZ1 LYS 59 3HZ LYS 59 2.298 12.481 7.493 449 HZ2 LYS 59 1HZ LYS 59 3.459 13.137 6.444 450 HZ3 LYS 59 2HZ LYS 59 3.807 11.722 7.317 451 H VAL 60 H VAL 60 3.327 6.320 2.111 452 HA VAL 60 HA VAL 60 0.894 4.633 2.624 453 HB VAL 60 HB VAL 60 3.416 4.090 1.035 454 HG11 VAL 60 1HG1 VAL 60 1.200 2.259 1.973 455 HG12 VAL 60 2HG1 VAL 60 2.944 2.020 2.093 456 HG13 VAL 60 3HG1 VAL 60 2.143 1.897 0.527 457 HG21 VAL 60 3HG2 VAL 60 1.564 5.457 -0.003 458 HG22 VAL 60 1HG2 VAL 60 0.499 4.067 0.210 459 HG23 VAL 60 2HG2 VAL 60 1.906 3.947 -0.847 460 H GLN 61 H GLN 61 0.942 3.288 4.351 461 HA GLN 61 HA GLN 61 3.567 2.741 5.692 462 HB2 GLN 61 1HB GLN 61 0.982 3.680 6.960 463 HB3 GLN 61 2HB GLN 61 2.315 2.974 7.880 464 HG2 GLN 61 1HG GLN 61 3.827 4.728 7.080 465 HG3 GLN 61 2HG GLN 61 2.538 5.413 6.092 466 HE21 GLN 61 2HE2 GLN 61 4.112 6.252 8.734 467 HE22 GLN 61 1HE2 GLN 61 2.861 6.853 9.713 468 H VAL 62 H VAL 62 3.630 0.729 6.800 469 HA VAL 62 HA VAL 62 1.548 -1.210 5.883 470 HB VAL 62 HB VAL 62 4.333 -1.691 6.978 471 HG11 VAL 62 1HG1 VAL 62 3.930 -3.992 6.072 472 HG12 VAL 62 2HG1 VAL 62 2.260 -3.531 5.745 473 HG13 VAL 62 3HG1 VAL 62 2.853 -3.582 7.406 474 HG21 VAL 62 3HG2 VAL 62 3.267 -1.869 4.143 475 HG22 VAL 62 1HG2 VAL 62 4.918 -2.215 4.657 476 HG23 VAL 62 2HG2 VAL 62 4.292 -0.569 4.756 477 H PHE 63 H PHE 63 0.171 -2.027 7.354 478 HA PHE 63 HA PHE 63 0.951 -2.052 10.240 479 HB2 PHE 63 1HB PHE 63 -1.542 -0.890 8.989 480 HB3 PHE 63 2HB PHE 63 -1.537 -1.450 10.663 481 HD1 PHE 63 HD1 PHE 63 0.293 -0.556 12.218 482 HD2 PHE 63 HD2 PHE 63 -0.698 1.260 8.455 483 HE1 PHE 63 HE1 PHE 63 1.371 1.548 12.952 484 HE2 PHE 63 HE2 PHE 63 0.384 3.368 9.192 485 HZ PHE 63 HZ PHE 63 1.421 3.509 11.439 486 H LYS 64 H LYS 64 0.081 -3.741 11.417 487 HA LYS 64 HA LYS 64 -1.591 -5.728 9.937 488 HB2 LYS 64 1HB LYS 64 -0.180 -7.503 11.119 489 HB3 LYS 64 2HB LYS 64 0.585 -6.678 9.768 490 HG2 LYS 64 1HG LYS 64 1.698 -5.136 11.381 491 HG3 LYS 64 2HG LYS 64 1.000 -6.057 12.708 492 HD2 LYS 64 1HD LYS 64 2.848 -7.184 10.585 493 HD3 LYS 64 2HD LYS 64 3.318 -6.781 12.236 494 HE2 LYS 64 1HE LYS 64 1.360 -8.389 12.916 495 HE3 LYS 64 2HE LYS 64 1.547 -9.012 11.274 496 HZ1 LYS 64 3HZ LYS 64 3.089 -10.289 12.252 497 HZ2 LYS 64 1HZ LYS 64 3.334 -9.221 13.547 498 HZ3 LYS 64 2HZ LYS 64 4.080 -8.924 12.050 499 H GLY 65 H GLY 65 -3.288 -4.706 11.213 500 HA2 GLY 65 1HA GLY 65 -4.840 -5.173 12.966 501 HA3 GLY 65 2HA GLY 65 -3.562 -6.000 13.855 502 H ASP 66 H ASP 66 -2.187 -4.781 15.195 503 HA ASP 66 HA ASP 66 -2.777 -1.855 15.462 504 HB2 ASP 66 1HB ASP 66 -4.063 -3.267 17.143 505 HB3 ASP 66 2HB ASP 66 -2.503 -3.767 17.798 506 H THR 67 H THR 67 -0.527 -3.765 14.478 507 HA THR 67 HA THR 67 1.674 -2.518 16.097 508 HB THR 67 HB THR 67 1.621 -5.264 14.817 509 HG1 THR 67 HG1 THR 67 2.042 -4.666 17.526 510 HG21 THR 67 3HG2 THR 67 3.840 -4.421 14.601 511 HG22 THR 67 1HG2 THR 67 3.857 -5.424 16.051 512 HG23 THR 67 2HG2 THR 67 3.786 -3.668 16.194 513 H CYS 68 H CYS 68 3.124 -1.376 14.972 514 HA CYS 68 HA CYS 68 2.749 -1.011 12.095 515 HB2 CYS 68 1HB CYS 68 3.381 0.779 13.853 516 HB3 CYS 68 2HB CYS 68 5.011 0.121 13.748 517 HG CYS 68 HG CYS 68 4.282 0.589 10.962 518 H VAL 69 H VAL 69 3.970 -1.889 10.489 519 HA VAL 69 HA VAL 69 6.134 -3.794 11.257 520 HB VAL 69 HB VAL 69 4.905 -3.356 8.524 521 HG11 VAL 69 1HG1 VAL 69 6.272 -5.757 9.771 522 HG12 VAL 69 2HG1 VAL 69 7.063 -4.601 8.699 523 HG13 VAL 69 3HG1 VAL 69 5.740 -5.600 8.097 524 HG21 VAL 69 3HG2 VAL 69 3.037 -3.920 9.887 525 HG22 VAL 69 1HG2 VAL 69 3.980 -5.064 10.837 526 HG23 VAL 69 2HG2 VAL 69 3.552 -5.446 9.172 527 H SER 70 H SER 70 5.563 -1.451 8.604 528 HA SER 70 HA SER 70 8.054 -0.055 9.091 529 HB2 SER 70 1HB SER 70 9.164 -0.746 6.954 530 HB3 SER 70 2HB SER 70 9.058 -2.050 8.132 531 HG SER 70 HG SER 70 7.963 -3.103 6.701 532 H THR 71 H THR 71 8.449 1.602 7.360 533 HA THR 71 HA THR 71 5.871 2.363 6.020 534 HB THR 71 HB THR 71 8.158 4.082 7.021 535 HG1 THR 71 HG1 THR 71 6.039 4.856 8.135 536 HG21 THR 71 3HG2 THR 71 5.668 4.714 5.432 537 HG22 THR 71 1HG2 THR 71 7.336 5.158 5.069 538 HG23 THR 71 2HG2 THR 71 6.488 5.932 6.407 539 H MET 72 H MET 72 5.876 2.376 3.859 540 HA MET 72 HA MET 72 8.130 1.566 2.303 541 HB2 MET 72 1HB MET 72 5.510 2.878 1.546 542 HB3 MET 72 2HB MET 72 6.672 2.275 0.361 543 HG2 MET 72 1HG MET 72 6.527 0.023 1.374 544 HG3 MET 72 2HG MET 72 5.358 0.629 2.546 545 HE1 MET 72 3HE MET 72 4.654 -1.765 1.208 546 HE2 MET 72 1HE MET 72 3.126 -1.567 0.339 547 HE3 MET 72 2HE MET 72 3.304 -0.927 1.971 548 H ASP 73 H ASP 73 9.775 3.093 3.002 549 HA ASP 73 HA ASP 73 9.487 5.894 2.032 550 HB2 ASP 73 1HB ASP 73 10.395 5.432 4.325 551 HB3 ASP 73 2HB ASP 73 11.751 4.592 3.574 552 H ASN 74 H ASN 74 11.063 2.867 1.302 553 HA ASN 74 HA ASN 74 13.009 4.093 -0.529 554 HB2 ASN 74 1HB ASN 74 12.301 1.228 0.134 555 HB3 ASN 74 2HB ASN 74 13.515 1.665 -1.071 556 HD21 ASN 74 2HD2 ASN 74 13.743 0.384 1.739 557 HD22 ASN 74 1HD2 ASN 74 14.907 1.337 2.524 558 H ASN 75 H ASN 75 12.112 4.959 -2.331 559 HA ASN 75 HA ASN 75 9.764 3.961 -3.665 560 HB2 ASN 75 1HB ASN 75 11.985 5.824 -4.531 561 HB3 ASN 75 2HB ASN 75 10.574 5.475 -5.530 562 HD21 ASN 75 2HD2 ASN 75 11.099 8.120 -4.549 563 HD22 ASN 75 1HD2 ASN 75 9.884 8.527 -3.435 564 H ASP 76 H ASP 76 13.216 3.400 -4.003 565 HA ASP 76 HA ASP 76 13.038 1.984 -6.531 566 HB2 ASP 76 1HB ASP 76 15.168 2.120 -4.379 567 HB3 ASP 76 2HB ASP 76 15.377 1.229 -5.886 568 H ALA 77 H ALA 77 11.943 1.176 -3.495 569 HA ALA 77 HA ALA 77 12.694 -1.670 -3.569 570 HB1 ALA 77 3HB ALA 77 11.366 -1.827 -1.504 571 HB2 ALA 77 1HB ALA 77 10.809 -0.169 -1.732 572 HB3 ALA 77 2HB ALA 77 12.515 -0.494 -1.418 573 H GLN 78 H GLN 78 11.170 -3.389 -3.755 574 HA GLN 78 HA GLN 78 8.995 -2.818 -5.647 575 HB2 GLN 78 1HB GLN 78 10.110 -5.382 -4.488 576 HB3 GLN 78 2HB GLN 78 8.759 -5.335 -5.624 577 HG2 GLN 78 1HG GLN 78 10.159 -4.203 -7.285 578 HG3 GLN 78 2HG GLN 78 11.507 -4.165 -6.148 579 HE21 GLN 78 2HE2 GLN 78 10.235 -5.942 -8.711 580 HE22 GLN 78 1HE2 GLN 78 11.006 -7.424 -8.408 581 H LEU 79 H LEU 79 6.828 -3.733 -5.303 582 HA LEU 79 HA LEU 79 5.687 -2.951 -2.798 583 HB2 LEU 79 1HB LEU 79 4.364 -2.944 -4.852 584 HB3 LEU 79 2HB LEU 79 4.580 -4.685 -5.028 585 HG LEU 79 HG LEU 79 3.309 -5.098 -2.983 586 HD11 LEU 79 1HD1 LEU 79 2.125 -2.972 -2.001 587 HD12 LEU 79 2HD1 LEU 79 3.465 -2.097 -2.743 588 HD13 LEU 79 3HD1 LEU 79 3.782 -3.330 -1.520 589 HD21 LEU 79 3HD2 LEU 79 1.130 -4.398 -3.747 590 HD22 LEU 79 1HD2 LEU 79 2.114 -4.725 -5.174 591 HD23 LEU 79 2HD2 LEU 79 1.824 -3.061 -4.665 592 H GLY 80 H GLY 80 6.509 -6.137 -4.163 593 HA2 GLY 80 1HA GLY 80 5.483 -7.608 -1.884 594 HA3 GLY 80 2HA GLY 80 6.555 -8.257 -3.129 595 H TYR 81 H TYR 81 8.073 -5.561 -2.206 596 HA TYR 81 HA TYR 81 10.167 -6.894 -0.792 597 HB2 TYR 81 1HB TYR 81 10.303 -4.698 -2.076 598 HB3 TYR 81 2HB TYR 81 9.555 -3.935 -0.673 599 HD1 TYR 81 HD1 TYR 81 10.727 -3.837 1.494 600 HD2 TYR 81 HD2 TYR 81 12.569 -5.541 -1.992 601 HE1 TYR 81 HE1 TYR 81 12.939 -3.736 2.611 602 HE2 TYR 81 HE2 TYR 81 14.779 -5.442 -0.876 603 HH TYR 81 HH TYR 81 15.460 -5.420 1.844 604 H TYR 82 H TYR 82 7.527 -4.785 0.347 605 HA TYR 82 HA TYR 82 8.175 -5.539 3.173 606 HB2 TYR 82 1HB TYR 82 6.376 -3.347 2.088 607 HB3 TYR 82 2HB TYR 82 6.775 -3.614 3.784 608 HD1 TYR 82 HD2 TYR 82 9.160 -3.367 4.555 609 HD2 TYR 82 HD1 TYR 82 7.882 -2.216 0.620 610 HE1 TYR 82 HE2 TYR 82 11.220 -2.016 4.281 611 HE2 TYR 82 HE1 TYR 82 9.943 -0.863 0.345 612 HH TYR 82 HH TYR 82 11.832 -0.184 1.279 613 H ALA 83 H ALA 83 5.716 -5.731 0.673 614 HA ALA 83 HA ALA 83 3.856 -7.097 2.583 615 HB1 ALA 83 3HB ALA 83 3.361 -5.979 -0.195 616 HB2 ALA 83 1HB ALA 83 2.879 -5.225 1.325 617 HB3 ALA 83 2HB ALA 83 2.148 -6.750 0.827 618 H ASN 84 H ASN 84 5.598 -8.876 2.336 619 HA ASN 84 HA ASN 84 5.397 -10.417 -0.186 620 HB2 ASN 84 1HB ASN 84 7.576 -10.106 1.074 621 HB3 ASN 84 2HB ASN 84 6.900 -11.114 2.353 622 HD21 ASN 84 2HD2 ASN 84 8.238 -12.974 2.051 623 HD22 ASN 84 1HD2 ASN 84 8.232 -13.895 0.625 624 H SER 85 H SER 85 3.438 -10.061 2.390 625 HA SER 85 HA SER 85 2.480 -12.893 2.221 626 HB2 SER 85 1HB SER 85 2.837 -11.260 4.751 627 HB3 SER 85 2HB SER 85 1.940 -12.775 4.665 628 HG SER 85 HG SER 85 4.660 -12.294 4.589 629 H ASP 86 H ASP 86 0.241 -13.120 2.366 630 HA ASP 86 HA ASP 86 -1.287 -10.681 1.753 631 HB2 ASP 86 1HB ASP 86 -3.141 -12.238 1.306 632 HB3 ASP 86 2HB ASP 86 -1.679 -12.732 0.451 633 H GLY 87 H GLY 87 -3.508 -10.485 2.822 634 HA2 GLY 87 1HA GLY 87 -4.888 -10.520 4.770 635 HA3 GLY 87 2HA GLY 87 -3.636 -11.427 5.618 636 H LEU 88 H LEU 88 -1.985 -9.036 4.151 637 HA LEU 88 HA LEU 88 -1.673 -7.524 6.618 638 HB2 LEU 88 1HB LEU 88 -0.591 -6.947 3.846 639 HB3 LEU 88 2HB LEU 88 -0.034 -6.215 5.351 640 HG LEU 88 HG LEU 88 0.069 -9.176 4.705 641 HD11 LEU 88 1HD1 LEU 88 2.295 -7.123 4.881 642 HD12 LEU 88 2HD1 LEU 88 1.658 -7.800 3.383 643 HD13 LEU 88 3HD1 LEU 88 2.490 -8.842 4.537 644 HD21 LEU 88 3HD2 LEU 88 -0.054 -9.100 7.043 645 HD22 LEU 88 1HD2 LEU 88 0.758 -7.536 7.142 646 HD23 LEU 88 2HD2 LEU 88 1.683 -8.995 6.791 647 H ARG 89 H ARG 89 -1.952 -5.182 6.758 648 HA ARG 89 HA ARG 89 -4.201 -4.170 5.041 649 HB2 ARG 89 1HB ARG 89 -4.908 -4.708 7.368 650 HB3 ARG 89 2HB ARG 89 -3.696 -3.578 7.972 651 HG2 ARG 89 1HG ARG 89 -4.773 -1.737 6.760 652 HG3 ARG 89 2HG ARG 89 -5.958 -2.855 6.084 653 HD2 ARG 89 1HD ARG 89 -5.577 -2.388 9.057 654 HD3 ARG 89 2HD ARG 89 -6.800 -1.577 8.078 655 HE ARG 89 HE ARG 89 -7.088 -4.363 7.647 656 HH11 ARG 89 1HH2 ARG 89 -7.342 -2.012 10.163 657 HH12 ARG 89 2HH2 ARG 89 -8.564 -2.884 11.029 658 HH21 ARG 89 1HH1 ARG 89 -8.680 -5.503 8.765 659 HH22 ARG 89 2HH1 ARG 89 -9.321 -4.856 10.239 660 H LEU 90 H LEU 90 -3.717 -2.357 3.973 661 HA LEU 90 HA LEU 90 -1.274 -0.813 4.750 662 HB2 LEU 90 1HB LEU 90 -2.828 -0.832 2.144 663 HB3 LEU 90 2HB LEU 90 -1.303 0.002 2.440 664 HG LEU 90 HG LEU 90 -1.726 -2.997 2.606 665 HD11 LEU 90 1HD1 LEU 90 -1.791 -2.340 0.302 666 HD12 LEU 90 2HD1 LEU 90 -0.161 -2.946 0.599 667 HD13 LEU 90 3HD1 LEU 90 -0.454 -1.210 0.521 668 HD21 LEU 90 3HD2 LEU 90 0.620 -1.181 3.168 669 HD22 LEU 90 1HD2 LEU 90 0.904 -2.819 2.578 670 HD23 LEU 90 2HD2 LEU 90 0.044 -2.571 4.092 671 H HIS 91 H HIS 91 -1.446 1.304 5.314 672 HA HIS 91 HA HIS 91 -4.187 2.541 5.227 673 HB2 HIS 91 1HB HIS 91 -3.405 1.990 7.523 674 HB3 HIS 91 2HB HIS 91 -1.989 3.011 7.260 675 HD1 HIS 91 HD1 HIS 91 -5.779 3.372 6.928 676 HD2 HIS 91 HD2 HIS 91 -2.448 5.606 8.063 677 HE1 HIS 91 HE1 HIS 91 -6.651 5.634 7.660 678 H VAL 92 H VAL 92 -4.332 4.444 4.179 679 HA VAL 92 HA VAL 92 -1.802 5.727 3.225 680 HB VAL 92 HB VAL 92 -4.646 5.763 2.182 681 HG11 VAL 92 1HG1 VAL 92 -3.897 7.984 1.821 682 HG12 VAL 92 2HG1 VAL 92 -3.528 7.155 0.308 683 HG13 VAL 92 3HG1 VAL 92 -2.250 7.457 1.486 684 HG21 VAL 92 3HG2 VAL 92 -2.071 4.967 0.806 685 HG22 VAL 92 1HG2 VAL 92 -3.723 4.622 0.293 686 HG23 VAL 92 2HG2 VAL 92 -3.054 3.814 1.711 687 H VAL 93 H VAL 93 -1.302 7.716 3.967 688 HA VAL 93 HA VAL 93 -3.355 9.207 5.574 689 HB VAL 93 HB VAL 93 -0.328 9.350 5.707 690 HG11 VAL 93 1HG1 VAL 93 -2.564 10.620 7.308 691 HG12 VAL 93 2HG1 VAL 93 -1.294 11.440 6.400 692 HG13 VAL 93 3HG1 VAL 93 -0.894 10.556 7.872 693 HG21 VAL 93 3HG2 VAL 93 -0.497 8.057 7.731 694 HG22 VAL 93 1HG2 VAL 93 -1.403 7.182 6.497 695 HG23 VAL 93 2HG2 VAL 93 -2.259 8.140 7.706 696 H ASP 94 H ASP 94 -4.189 10.821 4.361 697 HA ASP 94 HA ASP 94 -2.330 12.443 2.648 698 HB2 ASP 94 1HB ASP 94 -3.861 10.932 1.326 699 HB3 ASP 94 2HB ASP 94 -5.226 11.819 2.008 700 H SER 95 H SER 95 -2.138 14.302 3.799 701 HA SER 95 HA SER 95 -4.319 16.125 4.042 702 HB2 SER 95 1HB SER 95 -5.189 14.843 5.861 703 HB3 SER 95 2HB SER 95 -3.585 14.577 6.541 704 HG SER 95 HG SER 95 -3.495 16.735 7.096 Start of MODEL 16 1 H1 MET 1 1H MET 1 -5.840 -20.502 -29.034 2 H2 MET 1 2H MET 1 -6.226 -22.148 -29.213 3 H3 MET 1 3H MET 1 -5.336 -21.623 -27.865 4 HA MET 1 HA MET 1 -7.562 -20.100 -27.706 5 HB2 MET 1 1HB MET 1 -8.239 -22.868 -28.738 6 HB3 MET 1 2HB MET 1 -9.392 -21.847 -27.877 7 HG2 MET 1 1HG MET 1 -9.159 -20.096 -29.567 8 HG3 MET 1 2HG MET 1 -7.926 -21.038 -30.404 9 HE1 MET 1 3HE MET 1 -12.408 -21.740 -30.075 10 HE2 MET 1 1HE MET 1 -11.346 -20.743 -29.073 11 HE3 MET 1 2HE MET 1 -11.446 -22.480 -28.798 12 H GLY 2 H GLY 2 -9.106 -21.290 -25.925 13 HA2 GLY 2 1HA GLY 2 -9.214 -22.499 -23.880 14 HA3 GLY 2 2HA GLY 2 -7.596 -23.129 -24.198 15 H HIS 3 H HIS 3 -7.441 -19.888 -24.756 16 HA HIS 3 HA HIS 3 -6.211 -18.236 -23.601 17 HB2 HIS 3 1HB HIS 3 -8.446 -18.980 -21.701 18 HB3 HIS 3 2HB HIS 3 -7.382 -17.597 -21.435 19 HD1 HIS 3 HD1 HIS 3 -9.992 -18.897 -23.840 20 HD2 HIS 3 HD2 HIS 3 -7.893 -15.374 -23.090 21 HE1 HIS 3 HE1 HIS 3 -11.068 -17.105 -25.269 22 H HIS 4 H HIS 4 -7.081 -19.763 -20.573 23 HA HIS 4 HA HIS 4 -4.298 -20.797 -20.239 24 HB2 HIS 4 1HB HIS 4 -5.760 -18.932 -18.345 25 HB3 HIS 4 2HB HIS 4 -4.276 -19.797 -17.941 26 HD1 HIS 4 HD1 HIS 4 -5.591 -17.035 -20.127 27 HD2 HIS 4 HD2 HIS 4 -1.932 -18.801 -19.199 28 HE1 HIS 4 HE1 HIS 4 -3.803 -15.547 -21.129 29 H HIS 5 H HIS 5 -4.128 -22.442 -18.628 30 HA HIS 5 HA HIS 5 -6.471 -24.132 -18.448 31 HB2 HIS 5 1HB HIS 5 -3.770 -24.329 -17.084 32 HB3 HIS 5 2HB HIS 5 -4.984 -25.608 -17.121 33 HD1 HIS 5 HD1 HIS 5 -2.233 -26.093 -18.417 34 HD2 HIS 5 HD2 HIS 5 -5.533 -24.640 -20.512 35 HE1 HIS 5 HE1 HIS 5 -1.826 -26.626 -20.858 36 H HIS 6 H HIS 6 -7.710 -24.622 -16.630 37 HA HIS 6 HA HIS 6 -7.855 -22.517 -14.594 38 HB2 HIS 6 1HB HIS 6 -9.445 -25.055 -15.061 39 HB3 HIS 6 2HB HIS 6 -9.769 -23.935 -13.738 40 HD1 HIS 6 HD1 HIS 6 -10.497 -21.470 -14.432 41 HD2 HIS 6 HD2 HIS 6 -10.417 -24.230 -17.555 42 HE1 HIS 6 HE1 HIS 6 -11.781 -20.422 -16.346 43 H HIS 7 H HIS 7 -6.166 -25.422 -14.965 44 HA HIS 7 HA HIS 7 -6.183 -26.310 -12.207 45 HB2 HIS 7 1HB HIS 7 -5.618 -27.748 -14.206 46 HB3 HIS 7 2HB HIS 7 -4.090 -26.874 -14.323 47 HD1 HIS 7 HD1 HIS 7 -2.282 -27.390 -12.585 48 HD2 HIS 7 HD2 HIS 7 -5.855 -29.411 -11.863 49 HE1 HIS 7 HE1 HIS 7 -1.787 -29.096 -10.781 50 H HIS 8 H HIS 8 -4.930 -25.594 -10.541 51 HA HIS 8 HA HIS 8 -3.284 -23.222 -10.913 52 HB2 HIS 8 1HB HIS 8 -3.859 -24.965 -8.506 53 HB3 HIS 8 2HB HIS 8 -2.863 -23.511 -8.437 54 HD1 HIS 8 HD1 HIS 8 -6.397 -24.666 -8.760 55 HD2 HIS 8 HD2 HIS 8 -4.309 -21.060 -8.874 56 HE1 HIS 8 HE1 HIS 8 -8.133 -22.827 -8.609 57 H SER 9 H SER 9 -1.117 -23.391 -9.409 58 HA SER 9 HA SER 9 1.047 -24.282 -9.184 59 HB2 SER 9 1HB SER 9 1.310 -26.584 -9.153 60 HB3 SER 9 2HB SER 9 -0.447 -26.508 -9.039 61 HG SER 9 HG SER 9 -0.507 -27.486 -10.885 62 H HIS 10 H HIS 10 -0.468 -25.374 -12.241 63 HA HIS 10 HA HIS 10 1.906 -25.199 -13.811 64 HB2 HIS 10 1HB HIS 10 -1.005 -24.893 -14.600 65 HB3 HIS 10 2HB HIS 10 0.323 -25.055 -15.750 66 HD1 HIS 10 HD1 HIS 10 -1.586 -27.264 -16.004 67 HD2 HIS 10 HD2 HIS 10 1.403 -27.377 -13.100 68 HE1 HIS 10 HE1 HIS 10 -1.293 -29.699 -15.373 69 H GLY 11 H GLY 11 -0.698 -22.813 -13.256 70 HA2 GLY 11 1HA GLY 11 0.740 -20.774 -14.813 71 HA3 GLY 11 2HA GLY 11 -0.801 -20.554 -13.987 72 H LYS 12 H LYS 12 1.820 -18.999 -13.953 73 HA LYS 12 HA LYS 12 2.730 -19.259 -11.170 74 HB2 LYS 12 1HB LYS 12 4.254 -17.434 -11.734 75 HB3 LYS 12 2HB LYS 12 4.290 -18.640 -13.021 76 HG2 LYS 12 1HG LYS 12 2.534 -17.244 -14.224 77 HG3 LYS 12 2HG LYS 12 2.819 -15.992 -13.018 78 HD2 LYS 12 1HD LYS 12 4.311 -15.312 -14.667 79 HD3 LYS 12 2HD LYS 12 5.365 -16.345 -13.703 80 HE2 LYS 12 1HE LYS 12 5.590 -16.867 -16.099 81 HE3 LYS 12 2HE LYS 12 4.893 -18.236 -15.236 82 HZ1 LYS 12 3HZ LYS 12 3.198 -18.138 -16.637 83 HZ2 LYS 12 1HZ LYS 12 3.784 -16.713 -17.347 84 HZ3 LYS 12 2HZ LYS 12 2.774 -16.628 -15.983 85 H SER 13 H SER 13 2.099 -17.947 -9.485 86 HA SER 13 HA SER 13 0.025 -15.853 -10.068 87 HB2 SER 13 1HB SER 13 -0.905 -17.624 -8.709 88 HB3 SER 13 2HB SER 13 0.481 -17.584 -7.621 89 HG SER 13 HG SER 13 -1.650 -15.785 -7.910 90 H ASP 14 H ASP 14 0.688 -13.809 -9.714 91 HA ASP 14 HA ASP 14 2.879 -13.307 -7.719 92 HB2 ASP 14 1HB ASP 14 2.479 -12.127 -10.481 93 HB3 ASP 14 2HB ASP 14 3.531 -11.393 -9.270 94 H PHE 15 H PHE 15 0.060 -13.216 -7.232 95 HA PHE 15 HA PHE 15 -0.354 -10.266 -6.815 96 HB2 PHE 15 1HB PHE 15 -2.526 -12.357 -7.129 97 HB3 PHE 15 2HB PHE 15 -2.717 -10.605 -7.102 98 HD1 PHE 15 HD1 PHE 15 -1.046 -9.382 -8.897 99 HD2 PHE 15 HD2 PHE 15 -2.676 -13.342 -9.238 100 HE1 PHE 15 HE1 PHE 15 -0.731 -9.302 -11.354 101 HE2 PHE 15 HE2 PHE 15 -2.364 -13.264 -11.688 102 HZ PHE 15 HZ PHE 15 -1.387 -11.244 -12.753 103 H ILE 16 H ILE 16 -1.261 -9.705 -4.781 104 HA ILE 16 HA ILE 16 -1.386 -11.908 -2.747 105 HB ILE 16 HB ILE 16 -0.408 -10.316 -1.121 106 HG12 ILE 16 1HG1 ILE 16 0.092 -8.541 -3.532 107 HG13 ILE 16 2HG1 ILE 16 -1.168 -8.235 -2.337 108 HG21 ILE 16 1HG2 ILE 16 0.993 -11.897 -2.518 109 HG22 ILE 16 2HG2 ILE 16 1.861 -10.485 -1.915 110 HG23 ILE 16 3HG2 ILE 16 1.327 -10.540 -3.594 111 HD11 ILE 16 3HD1 ILE 16 0.508 -8.089 -0.560 112 HD12 ILE 16 1HD1 ILE 16 0.902 -6.953 -1.850 113 HD13 ILE 16 2HD1 ILE 16 1.790 -8.470 -1.711 114 H LYS 17 H LYS 17 -2.932 -11.607 -1.087 115 HA LYS 17 HA LYS 17 -5.167 -9.797 -1.843 116 HB2 LYS 17 1HB LYS 17 -5.770 -12.117 -1.458 117 HB3 LYS 17 2HB LYS 17 -4.959 -12.114 0.106 118 HG2 LYS 17 1HG LYS 17 -6.569 -10.520 0.998 119 HG3 LYS 17 2HG LYS 17 -7.325 -10.346 -0.587 120 HD2 LYS 17 1HD LYS 17 -8.027 -12.669 -0.561 121 HD3 LYS 17 2HD LYS 17 -7.167 -12.950 0.957 122 HE2 LYS 17 1HE LYS 17 -8.630 -11.308 2.079 123 HE3 LYS 17 2HE LYS 17 -9.481 -11.043 0.562 124 HZ1 LYS 17 3HZ LYS 17 -10.206 -13.300 0.545 125 HZ2 LYS 17 1HZ LYS 17 -10.599 -12.634 2.055 126 HZ3 LYS 17 2HZ LYS 17 -9.262 -13.674 1.907 127 H VAL 18 H VAL 18 -5.109 -7.820 -0.908 128 HA VAL 18 HA VAL 18 -4.502 -7.636 2.006 129 HB VAL 18 HB VAL 18 -3.157 -5.574 1.566 130 HG11 VAL 18 1HG1 VAL 18 -2.092 -7.799 1.921 131 HG12 VAL 18 2HG1 VAL 18 -1.137 -6.763 0.861 132 HG13 VAL 18 3HG1 VAL 18 -2.114 -8.064 0.179 133 HG21 VAL 18 3HG2 VAL 18 -2.310 -5.244 -0.752 134 HG22 VAL 18 1HG2 VAL 18 -4.057 -5.030 -0.651 135 HG23 VAL 18 2HG2 VAL 18 -3.389 -6.524 -1.309 136 H ASN 19 H ASN 19 -5.259 -5.554 2.914 137 HA ASN 19 HA ASN 19 -7.736 -4.620 1.515 138 HB2 ASN 19 1HB ASN 19 -6.910 -4.651 4.430 139 HB3 ASN 19 2HB ASN 19 -8.342 -3.805 3.841 140 HD21 ASN 19 2HD2 ASN 19 -8.512 -6.043 5.660 141 HD22 ASN 19 1HD2 ASN 19 -9.277 -7.321 4.846 142 H VAL 20 H VAL 20 -8.078 -2.402 1.228 143 HA VAL 20 HA VAL 20 -5.777 -0.585 1.909 144 HB VAL 20 HB VAL 20 -7.498 -0.692 -0.585 145 HG11 VAL 20 1HG1 VAL 20 -7.310 1.633 -0.097 146 HG12 VAL 20 2HG1 VAL 20 -6.023 1.302 -1.257 147 HG13 VAL 20 3HG1 VAL 20 -5.645 1.459 0.458 148 HG21 VAL 20 3HG2 VAL 20 -5.398 -1.056 -1.722 149 HG22 VAL 20 1HG2 VAL 20 -5.476 -2.201 -0.383 150 HG23 VAL 20 2HG2 VAL 20 -4.485 -0.748 -0.245 151 H SER 21 H SER 21 -6.342 1.236 3.007 152 HA SER 21 HA SER 21 -9.176 2.148 2.975 153 HB2 SER 21 1HB SER 21 -9.273 2.241 5.406 154 HB3 SER 21 2HB SER 21 -8.875 0.596 4.921 155 HG SER 21 HG SER 21 -6.811 2.436 5.381 156 H ASN 22 H ASN 22 -9.377 4.354 3.949 157 HA ASN 22 HA ASN 22 -6.803 5.890 3.916 158 HB2 ASN 22 1HB ASN 22 -9.352 6.968 2.707 159 HB3 ASN 22 2HB ASN 22 -7.701 7.556 2.505 160 HD21 ASN 22 2HD2 ASN 22 -6.487 4.937 2.033 161 HD22 ASN 22 1HD2 ASN 22 -7.026 4.408 0.514 162 H SER 23 H SER 23 -6.892 7.879 5.131 163 HA SER 23 HA SER 23 -8.676 7.680 7.462 164 HB2 SER 23 1HB SER 23 -6.554 9.743 6.797 165 HB3 SER 23 2HB SER 23 -7.338 9.526 8.360 166 HG SER 23 HG SER 23 -6.505 7.293 8.196 167 H HIS 24 H HIS 24 -7.742 10.595 5.634 168 HA HIS 24 HA HIS 24 -10.190 11.963 6.191 169 HB2 HIS 24 1HB HIS 24 -8.128 12.384 4.009 170 HB3 HIS 24 2HB HIS 24 -9.445 13.505 4.349 171 HD1 HIS 24 HD1 HIS 24 -6.887 14.829 4.761 172 HD2 HIS 24 HD2 HIS 24 -8.475 12.391 7.746 173 HE1 HIS 24 HE1 HIS 24 -5.754 15.511 6.920 174 H ASN 25 H ASN 25 -9.102 10.164 3.307 175 HA ASN 25 HA ASN 25 -11.637 10.603 1.927 176 HB2 ASN 25 1HB ASN 25 -9.229 8.872 1.348 177 HB3 ASN 25 2HB ASN 25 -10.669 8.850 0.336 178 HD21 ASN 25 2HD2 ASN 25 -8.146 9.749 -0.674 179 HD22 ASN 25 1HD2 ASN 25 -8.262 11.412 -0.996 180 H ASP 26 H ASP 26 -13.134 8.902 1.379 181 HA ASP 26 HA ASP 26 -13.294 6.754 3.465 182 HB2 ASP 26 1HB ASP 26 -15.158 8.468 3.299 183 HB3 ASP 26 2HB ASP 26 -15.522 7.808 1.703 184 H ALA 27 H ALA 27 -11.891 6.868 0.683 185 HA ALA 27 HA ALA 27 -13.371 4.881 -0.875 186 HB1 ALA 27 3HB ALA 27 -12.056 6.356 -2.186 187 HB2 ALA 27 1HB ALA 27 -11.142 4.849 -2.187 188 HB3 ALA 27 2HB ALA 27 -10.653 6.177 -1.133 189 H VAL 28 H VAL 28 -13.444 2.812 -0.139 190 HA VAL 28 HA VAL 28 -10.931 1.616 1.005 191 HB VAL 28 HB VAL 28 -13.815 1.157 1.832 192 HG11 VAL 28 1HG1 VAL 28 -11.244 -0.260 2.559 193 HG12 VAL 28 2HG1 VAL 28 -12.737 -0.967 1.942 194 HG13 VAL 28 3HG1 VAL 28 -12.678 -0.325 3.584 195 HG21 VAL 28 3HG2 VAL 28 -13.145 2.101 3.951 196 HG22 VAL 28 1HG2 VAL 28 -12.640 3.225 2.690 197 HG23 VAL 28 2HG2 VAL 28 -11.457 2.162 3.449 198 H ALA 29 H ALA 29 -10.284 -0.212 -0.015 199 HA ALA 29 HA ALA 29 -12.194 -1.547 -1.916 200 HB1 ALA 29 3HB ALA 29 -9.163 -1.489 -2.054 201 HB2 ALA 29 1HB ALA 29 -10.214 -0.412 -2.973 202 HB3 ALA 29 2HB ALA 29 -10.265 -2.151 -3.261 203 H PHE 30 H PHE 30 -12.640 -3.656 -1.470 204 HA PHE 30 HA PHE 30 -11.157 -4.958 0.765 205 HB2 PHE 30 1HB PHE 30 -13.784 -5.681 -0.567 206 HB3 PHE 30 2HB PHE 30 -13.083 -6.501 0.828 207 HD1 PHE 30 HD1 PHE 30 -12.729 -5.231 2.970 208 HD2 PHE 30 HD2 PHE 30 -14.954 -3.609 -0.328 209 HE1 PHE 30 HE1 PHE 30 -13.729 -3.538 4.478 210 HE2 PHE 30 HE2 PHE 30 -15.955 -1.915 1.183 211 HZ PHE 30 HZ PHE 30 -15.342 -1.879 3.586 212 H GLU 31 H GLU 31 -10.195 -6.969 0.540 213 HA GLU 31 HA GLU 31 -8.814 -8.470 -0.655 214 HB2 GLU 31 1HB GLU 31 -11.258 -9.131 -2.278 215 HB3 GLU 31 2HB GLU 31 -10.110 -10.212 -1.503 216 HG2 GLU 31 1HG GLU 31 -10.994 -9.321 0.731 217 HG3 GLU 31 2HG GLU 31 -12.293 -8.580 -0.199 218 H VAL 32 H VAL 32 -8.007 -6.253 -1.731 219 HA VAL 32 HA VAL 32 -8.632 -6.210 -4.641 220 HB VAL 32 HB VAL 32 -8.510 -4.097 -3.262 221 HG11 VAL 32 1HG1 VAL 32 -6.397 -3.254 -2.543 222 HG12 VAL 32 2HG1 VAL 32 -5.524 -4.535 -3.382 223 HG13 VAL 32 3HG1 VAL 32 -6.484 -4.914 -1.953 224 HG21 VAL 32 3HG2 VAL 32 -7.205 -2.865 -4.987 225 HG22 VAL 32 1HG2 VAL 32 -8.303 -4.044 -5.703 226 HG23 VAL 32 2HG2 VAL 32 -6.579 -4.402 -5.583 227 H LYS 33 H LYS 33 -7.290 -7.106 -6.124 228 HA LYS 33 HA LYS 33 -4.871 -8.484 -5.190 229 HB2 LYS 33 1HB LYS 33 -6.309 -8.319 -7.844 230 HB3 LYS 33 2HB LYS 33 -4.751 -9.131 -7.677 231 HG2 LYS 33 1HG LYS 33 -5.690 -10.613 -5.956 232 HG3 LYS 33 2HG LYS 33 -7.242 -9.785 -6.076 233 HD2 LYS 33 1HD LYS 33 -7.497 -10.490 -8.389 234 HD3 LYS 33 2HD LYS 33 -5.885 -11.207 -8.383 235 HE2 LYS 33 1HE LYS 33 -6.581 -12.795 -6.644 236 HE3 LYS 33 2HE LYS 33 -8.191 -12.076 -6.617 237 HZ1 LYS 33 3HZ LYS 33 -7.930 -14.130 -8.008 238 HZ2 LYS 33 1HZ LYS 33 -6.974 -13.214 -9.066 239 HZ3 LYS 33 2HZ LYS 33 -8.600 -12.791 -8.810 240 H LEU 34 H LEU 34 -2.840 -7.727 -5.381 241 HA LEU 34 HA LEU 34 -2.265 -5.515 -7.309 242 HB2 LEU 34 1HB LEU 34 -1.455 -5.608 -4.383 243 HB3 LEU 34 2HB LEU 34 -0.861 -4.428 -5.550 244 HG LEU 34 HG LEU 34 -3.795 -4.840 -4.910 245 HD11 LEU 34 1HD1 LEU 34 -2.671 -4.020 -2.917 246 HD12 LEU 34 2HD1 LEU 34 -3.577 -2.693 -3.645 247 HD13 LEU 34 3HD1 LEU 34 -1.829 -2.789 -3.856 248 HD21 LEU 34 3HD2 LEU 34 -3.753 -2.393 -5.918 249 HD22 LEU 34 1HD2 LEU 34 -3.745 -3.781 -7.002 250 HD23 LEU 34 2HD2 LEU 34 -2.242 -2.927 -6.651 251 H ALA 35 H ALA 35 -0.431 -5.904 -8.450 252 HA ALA 35 HA ALA 35 0.945 -8.406 -8.144 253 HB1 ALA 35 3HB ALA 35 2.620 -7.095 -9.767 254 HB2 ALA 35 1HB ALA 35 1.265 -5.966 -9.851 255 HB3 ALA 35 2HB ALA 35 1.043 -7.644 -10.337 256 H LYS 36 H LYS 36 2.729 -8.905 -6.985 257 HA LYS 36 HA LYS 36 3.749 -6.996 -5.042 258 HB2 LYS 36 1HB LYS 36 5.119 -8.837 -4.264 259 HB3 LYS 36 2HB LYS 36 3.513 -9.467 -4.631 260 HG2 LYS 36 1HG LYS 36 4.471 -9.995 -6.981 261 HG3 LYS 36 2HG LYS 36 6.053 -9.759 -6.238 262 HD2 LYS 36 1HD LYS 36 3.940 -11.773 -5.422 263 HD3 LYS 36 2HD LYS 36 5.521 -12.117 -6.123 264 HE2 LYS 36 1HE LYS 36 4.907 -11.001 -3.383 265 HE3 LYS 36 2HE LYS 36 5.770 -12.488 -3.781 266 HZ1 LYS 36 3HZ LYS 36 7.294 -10.763 -5.048 267 HZ2 LYS 36 1HZ LYS 36 7.532 -11.137 -3.411 268 HZ3 LYS 36 2HZ LYS 36 6.698 -9.721 -3.845 269 H ASP 37 H ASP 37 4.527 -7.783 -8.272 270 HA ASP 37 HA ASP 37 7.366 -7.091 -8.103 271 HB2 ASP 37 1HB ASP 37 5.486 -7.510 -10.444 272 HB3 ASP 37 2HB ASP 37 7.209 -7.170 -10.617 273 H LEU 38 H LEU 38 4.579 -5.279 -7.938 274 HA LEU 38 HA LEU 38 5.425 -3.039 -9.610 275 HB2 LEU 38 1HB LEU 38 3.255 -3.343 -7.525 276 HB3 LEU 38 2HB LEU 38 3.527 -1.851 -8.421 277 HG LEU 38 HG LEU 38 3.074 -4.524 -9.768 278 HD11 LEU 38 1HD1 LEU 38 1.088 -4.046 -8.467 279 HD12 LEU 38 2HD1 LEU 38 0.736 -3.670 -10.154 280 HD13 LEU 38 3HD1 LEU 38 1.079 -2.369 -9.013 281 HD21 LEU 38 3HD2 LEU 38 3.986 -3.099 -11.394 282 HD22 LEU 38 1HD2 LEU 38 3.255 -1.655 -10.692 283 HD23 LEU 38 2HD2 LEU 38 2.267 -2.797 -11.600 284 H THR 39 H THR 39 6.302 -1.083 -8.913 285 HA THR 39 HA THR 39 7.877 -1.233 -6.441 286 HB THR 39 HB THR 39 9.056 0.641 -7.261 287 HG1 THR 39 HG1 THR 39 7.709 1.501 -9.325 288 HG21 THR 39 3HG2 THR 39 9.117 -1.475 -8.716 289 HG22 THR 39 1HG2 THR 39 9.670 0.020 -9.470 290 HG23 THR 39 2HG2 THR 39 8.059 -0.602 -9.826 291 H VAL 40 H VAL 40 7.933 0.789 -5.035 292 HA VAL 40 HA VAL 40 5.373 1.241 -3.860 293 HB VAL 40 HB VAL 40 8.008 2.714 -3.644 294 HG11 VAL 40 1HG1 VAL 40 6.358 4.353 -3.065 295 HG12 VAL 40 2HG1 VAL 40 6.971 3.708 -1.547 296 HG13 VAL 40 3HG1 VAL 40 5.408 3.171 -2.162 297 HG21 VAL 40 3HG2 VAL 40 7.744 0.336 -2.784 298 HG22 VAL 40 1HG2 VAL 40 6.567 0.972 -1.635 299 HG23 VAL 40 2HG2 VAL 40 8.240 1.522 -1.578 300 H ALA 41 H ALA 41 7.346 3.263 -6.041 301 HA ALA 41 HA ALA 41 5.618 5.512 -6.121 302 HB1 ALA 41 3HB ALA 41 7.333 4.399 -8.366 303 HB2 ALA 41 1HB ALA 41 7.907 5.478 -7.092 304 HB3 ALA 41 2HB ALA 41 6.711 6.046 -8.259 305 H GLN 42 H GLN 42 5.591 2.497 -7.998 306 HA GLN 42 HA GLN 42 3.450 3.238 -9.764 307 HB2 GLN 42 1HB GLN 42 4.369 0.523 -8.768 308 HB3 GLN 42 2HB GLN 42 3.189 0.756 -10.057 309 HG2 GLN 42 1HG GLN 42 5.995 1.898 -10.107 310 HG3 GLN 42 2HG GLN 42 5.533 0.389 -10.891 311 HE21 GLN 42 2HE2 GLN 42 6.170 3.446 -11.745 312 HE22 GLN 42 1HE2 GLN 42 5.032 3.682 -12.981 313 H LEU 43 H LEU 43 3.534 1.721 -6.562 314 HA LEU 43 HA LEU 43 0.761 1.075 -6.390 315 HB2 LEU 43 1HB LEU 43 2.434 0.203 -4.805 316 HB3 LEU 43 2HB LEU 43 2.709 1.830 -4.186 317 HG LEU 43 HG LEU 43 0.385 1.946 -3.397 318 HD11 LEU 43 1HD1 LEU 43 -0.926 0.661 -4.852 319 HD12 LEU 43 2HD1 LEU 43 -0.842 -0.387 -3.440 320 HD13 LEU 43 3HD1 LEU 43 0.198 -0.699 -4.830 321 HD21 LEU 43 3HD2 LEU 43 0.566 0.280 -1.610 322 HD22 LEU 43 1HD2 LEU 43 2.158 0.961 -1.947 323 HD23 LEU 43 2HD2 LEU 43 1.734 -0.638 -2.558 324 H LYS 44 H LYS 44 2.549 4.025 -5.506 325 HA LYS 44 HA LYS 44 0.348 5.429 -4.358 326 HB2 LYS 44 1HB LYS 44 2.845 6.396 -5.769 327 HB3 LYS 44 2HB LYS 44 1.685 7.493 -5.017 328 HG2 LYS 44 1HG LYS 44 1.988 6.359 -2.856 329 HG3 LYS 44 2HG LYS 44 3.122 5.231 -3.599 330 HD2 LYS 44 1HD LYS 44 4.679 7.018 -4.091 331 HD3 LYS 44 2HD LYS 44 3.517 8.234 -3.558 332 HE2 LYS 44 1HE LYS 44 5.185 7.804 -1.799 333 HE3 LYS 44 2HE LYS 44 3.582 7.293 -1.273 334 HZ1 LYS 44 3HZ LYS 44 4.517 5.339 -0.851 335 HZ2 LYS 44 1HZ LYS 44 5.941 5.735 -1.684 336 HZ3 LYS 44 2HZ LYS 44 4.610 5.103 -2.532 337 H THR 45 H THR 45 1.460 5.155 -7.719 338 HA THR 45 HA THR 45 -0.309 7.076 -8.860 339 HB THR 45 HB THR 45 0.729 4.477 -10.040 340 HG1 THR 45 HG1 THR 45 1.844 6.798 -10.873 341 HG21 THR 45 3HG2 THR 45 -1.113 5.294 -11.369 342 HG22 THR 45 1HG2 THR 45 0.384 5.695 -12.211 343 HG23 THR 45 2HG2 THR 45 -0.484 6.940 -11.314 344 H LYS 46 H LYS 46 -0.718 3.571 -8.323 345 HA LYS 46 HA LYS 46 -3.381 3.407 -9.368 346 HB2 LYS 46 1HB LYS 46 -1.932 1.749 -7.273 347 HB3 LYS 46 2HB LYS 46 -3.495 1.312 -7.964 348 HG2 LYS 46 1HG LYS 46 -2.508 1.257 -10.213 349 HG3 LYS 46 2HG LYS 46 -0.947 1.747 -9.553 350 HD2 LYS 46 1HD LYS 46 -0.818 -0.300 -8.228 351 HD3 LYS 46 2HD LYS 46 -2.425 -0.783 -8.769 352 HE2 LYS 46 1HE LYS 46 -0.945 -1.988 -10.176 353 HE3 LYS 46 2HE LYS 46 -1.472 -0.624 -11.162 354 HZ1 LYS 46 3HZ LYS 46 1.102 -1.300 -10.649 355 HZ2 LYS 46 1HZ LYS 46 0.830 -0.038 -9.550 356 HZ3 LYS 46 2HZ LYS 46 0.575 0.213 -11.212 357 H LEU 47 H LEU 47 -2.133 3.983 -6.084 358 HA LEU 47 HA LEU 47 -4.683 4.098 -4.779 359 HB2 LEU 47 1HB LEU 47 -2.023 5.395 -4.120 360 HB3 LEU 47 2HB LEU 47 -3.419 5.450 -3.048 361 HG LEU 47 HG LEU 47 -2.209 2.873 -4.091 362 HD11 LEU 47 1HD1 LEU 47 -1.235 2.682 -1.787 363 HD12 LEU 47 2HD1 LEU 47 -1.731 4.346 -1.484 364 HD13 LEU 47 3HD1 LEU 47 -0.539 3.996 -2.735 365 HD21 LEU 47 3HD2 LEU 47 -3.452 2.113 -1.868 366 HD22 LEU 47 1HD2 LEU 47 -4.358 2.306 -3.364 367 HD23 LEU 47 2HD2 LEU 47 -4.400 3.573 -2.139 368 H GLU 48 H GLU 48 -2.709 6.528 -6.411 369 HA GLU 48 HA GLU 48 -4.101 8.868 -5.710 370 HB2 GLU 48 1HB GLU 48 -2.007 8.774 -7.074 371 HB3 GLU 48 2HB GLU 48 -2.952 8.173 -8.434 372 HG2 GLU 48 1HG GLU 48 -2.689 10.539 -8.751 373 HG3 GLU 48 2HG GLU 48 -4.358 10.280 -8.255 374 H ILE 49 H ILE 49 -4.803 6.577 -8.367 375 HA ILE 49 HA ILE 49 -7.082 8.013 -9.362 376 HB ILE 49 HB ILE 49 -6.629 5.017 -9.447 377 HG12 ILE 49 1HG1 ILE 49 -4.591 6.093 -10.199 378 HG13 ILE 49 2HG1 ILE 49 -5.458 5.512 -11.619 379 HG21 ILE 49 1HG2 ILE 49 -7.872 5.199 -11.580 380 HG22 ILE 49 2HG2 ILE 49 -8.078 6.929 -11.305 381 HG23 ILE 49 3HG2 ILE 49 -8.841 5.766 -10.219 382 HD11 ILE 49 3HD1 ILE 49 -5.143 8.334 -10.621 383 HD12 ILE 49 1HD1 ILE 49 -6.494 7.909 -11.672 384 HD13 ILE 49 2HD1 ILE 49 -4.838 7.691 -12.232 385 H LEU 50 H LEU 50 -6.850 5.278 -7.073 386 HA LEU 50 HA LEU 50 -9.674 5.099 -6.596 387 HB2 LEU 50 1HB LEU 50 -7.222 4.144 -5.125 388 HB3 LEU 50 2HB LEU 50 -8.825 3.918 -4.424 389 HG LEU 50 HG LEU 50 -8.352 3.080 -7.286 390 HD11 LEU 50 1HD1 LEU 50 -7.755 0.801 -6.418 391 HD12 LEU 50 2HD1 LEU 50 -7.566 1.510 -4.814 392 HD13 LEU 50 3HD1 LEU 50 -6.508 2.015 -6.133 393 HD21 LEU 50 3HD2 LEU 50 -10.056 1.379 -6.659 394 HD22 LEU 50 1HD2 LEU 50 -10.643 3.016 -6.375 395 HD23 LEU 50 2HD2 LEU 50 -10.089 2.033 -5.022 396 H THR 51 H THR 51 -7.095 6.847 -4.843 397 HA THR 51 HA THR 51 -9.063 7.893 -2.906 398 HB THR 51 HB THR 51 -7.063 9.132 -2.010 399 HG1 THR 51 HG1 THR 51 -5.900 9.293 -3.930 400 HG21 THR 51 3HG2 THR 51 -6.985 6.142 -2.409 401 HG22 THR 51 1HG2 THR 51 -7.488 7.043 -0.980 402 HG23 THR 51 2HG2 THR 51 -5.782 6.974 -1.423 403 H GLY 52 H GLY 52 -7.267 9.015 -5.725 404 HA2 GLY 52 1HA GLY 52 -7.666 10.906 -7.074 405 HA3 GLY 52 2HA GLY 52 -9.128 11.200 -6.130 406 H GLY 53 H GLY 53 -6.531 10.819 -4.053 407 HA2 GLY 53 1HA GLY 53 -6.558 13.644 -3.346 408 HA3 GLY 53 2HA GLY 53 -5.607 12.393 -2.556 409 H CYS 54 H CYS 54 -3.497 12.956 -2.677 410 HA CYS 54 HA CYS 54 -2.382 13.721 -5.345 411 HB2 CYS 54 1HB CYS 54 -2.550 15.821 -4.214 412 HB3 CYS 54 2HB CYS 54 -1.964 15.129 -2.703 413 HG CYS 54 HG CYS 54 0.406 14.863 -3.816 414 H ALA 55 H ALA 55 -0.765 12.366 -5.852 415 HA ALA 55 HA ALA 55 0.184 10.322 -4.136 416 HB1 ALA 55 3HB ALA 55 0.338 10.455 -6.687 417 HB2 ALA 55 1HB ALA 55 1.744 9.796 -5.852 418 HB3 ALA 55 2HB ALA 55 1.768 11.458 -6.443 419 H GLY 56 H GLY 56 1.547 13.527 -4.858 420 HA2 GLY 56 1HA GLY 56 3.994 13.117 -3.398 421 HA3 GLY 56 2HA GLY 56 3.336 14.682 -3.868 422 H THR 57 H THR 57 0.886 14.637 -2.468 423 HA THR 57 HA THR 57 1.880 15.127 0.258 424 HB THR 57 HB THR 57 -1.000 15.399 -0.603 425 HG1 THR 57 HG1 THR 57 1.212 16.700 -1.586 426 HG21 THR 57 3HG2 THR 57 -0.869 17.356 0.914 427 HG22 THR 57 1HG2 THR 57 0.820 16.968 1.239 428 HG23 THR 57 2HG2 THR 57 -0.452 15.852 1.736 429 H MET 58 H MET 58 0.759 12.434 -1.311 430 HA MET 58 HA MET 58 -0.909 11.388 0.881 431 HB2 MET 58 1HB MET 58 -0.079 10.443 -1.844 432 HB3 MET 58 2HB MET 58 -0.622 9.236 -0.682 433 HG2 MET 58 1HG MET 58 -2.778 10.086 -0.596 434 HG3 MET 58 2HG MET 58 -2.280 11.716 -1.046 435 HE1 MET 58 3HE MET 58 -2.894 8.084 -3.757 436 HE2 MET 58 1HE MET 58 -2.985 8.175 -1.992 437 HE3 MET 58 2HE MET 58 -1.420 8.204 -2.800 438 H LYS 59 H LYS 59 -0.349 9.714 2.246 439 HA LYS 59 HA LYS 59 2.506 8.821 2.250 440 HB2 LYS 59 1HB LYS 59 2.220 10.600 3.943 441 HB3 LYS 59 2HB LYS 59 0.885 9.701 4.658 442 HG2 LYS 59 1HG LYS 59 2.393 7.828 5.174 443 HG3 LYS 59 2HG LYS 59 3.734 8.687 4.413 444 HD2 LYS 59 1HD LYS 59 3.513 10.505 6.058 445 HD3 LYS 59 2HD LYS 59 2.162 9.662 6.816 446 HE2 LYS 59 1HE LYS 59 4.195 9.196 8.075 447 HE3 LYS 59 2HE LYS 59 3.672 7.723 7.256 448 HZ1 LYS 59 3HZ LYS 59 5.256 8.152 5.504 449 HZ2 LYS 59 1HZ LYS 59 6.056 8.121 6.999 450 HZ3 LYS 59 2HZ LYS 59 5.733 9.606 6.240 451 H VAL 60 H VAL 60 2.472 6.677 2.024 452 HA VAL 60 HA VAL 60 0.108 5.112 2.959 453 HB VAL 60 HB VAL 60 2.379 4.460 1.057 454 HG11 VAL 60 1HG1 VAL 60 1.882 2.400 2.145 455 HG12 VAL 60 2HG1 VAL 60 0.952 2.364 0.648 456 HG13 VAL 60 3HG1 VAL 60 0.153 2.744 2.174 457 HG21 VAL 60 3HG2 VAL 60 -0.597 4.918 0.711 458 HG22 VAL 60 1HG2 VAL 60 0.445 4.261 -0.550 459 HG23 VAL 60 2HG2 VAL 60 0.716 5.895 0.053 460 H GLN 61 H GLN 61 0.310 3.710 4.650 461 HA GLN 61 HA GLN 61 3.056 3.034 5.649 462 HB2 GLN 61 1HB GLN 61 0.654 3.961 7.250 463 HB3 GLN 61 2HB GLN 61 2.090 3.230 7.971 464 HG2 GLN 61 1HG GLN 61 3.495 5.007 7.047 465 HG3 GLN 61 2HG GLN 61 2.101 5.716 6.233 466 HE21 GLN 61 2HE2 GLN 61 3.968 6.004 9.003 467 HE22 GLN 61 1HE2 GLN 61 2.840 6.780 10.007 468 H VAL 62 H VAL 62 3.282 0.925 6.336 469 HA VAL 62 HA VAL 62 1.044 -0.906 5.697 470 HB VAL 62 HB VAL 62 3.886 -1.524 6.564 471 HG11 VAL 62 1HG1 VAL 62 2.290 -3.374 6.917 472 HG12 VAL 62 2HG1 VAL 62 3.397 -3.746 5.598 473 HG13 VAL 62 3HG1 VAL 62 1.749 -3.229 5.244 474 HG21 VAL 62 3HG2 VAL 62 4.089 -2.066 4.054 475 HG22 VAL 62 1HG2 VAL 62 4.064 -0.359 4.499 476 HG23 VAL 62 2HG2 VAL 62 2.612 -1.124 3.853 477 H PHE 63 H PHE 63 -0.161 -1.903 7.250 478 HA PHE 63 HA PHE 63 0.804 -1.822 10.087 479 HB2 PHE 63 1HB PHE 63 -1.870 -1.011 8.952 480 HB3 PHE 63 2HB PHE 63 -1.765 -1.628 10.601 481 HD1 PHE 63 HD2 PHE 63 -0.159 -0.525 12.224 482 HD2 PHE 63 HD1 PHE 63 -1.229 1.227 8.446 483 HE1 PHE 63 HE2 PHE 63 0.626 1.689 13.024 484 HE2 PHE 63 HE1 PHE 63 -0.445 3.438 9.250 485 HZ PHE 63 HZ PHE 63 0.484 3.669 11.538 486 H LYS 64 H LYS 64 0.312 -3.583 11.331 487 HA LYS 64 HA LYS 64 -1.249 -5.811 10.145 488 HB2 LYS 64 1HB LYS 64 1.241 -6.065 9.591 489 HB3 LYS 64 2HB LYS 64 1.500 -6.270 11.324 490 HG2 LYS 64 1HG LYS 64 0.022 -8.196 11.374 491 HG3 LYS 64 2HG LYS 64 -0.425 -7.945 9.688 492 HD2 LYS 64 1HD LYS 64 1.205 -9.670 9.628 493 HD3 LYS 64 2HD LYS 64 2.068 -8.211 9.142 494 HE2 LYS 64 1HE LYS 64 3.084 -7.983 11.298 495 HE3 LYS 64 2HE LYS 64 2.012 -9.189 12.009 496 HZ1 LYS 64 3HZ LYS 64 3.215 -10.875 11.182 497 HZ2 LYS 64 1HZ LYS 64 4.462 -9.726 11.116 498 HZ3 LYS 64 2HZ LYS 64 3.557 -10.075 9.722 499 H GLY 65 H GLY 65 -2.788 -5.401 11.799 500 HA2 GLY 65 1HA GLY 65 -3.728 -5.880 13.902 501 HA3 GLY 65 2HA GLY 65 -2.217 -6.681 14.335 502 H ASP 66 H ASP 66 -1.471 -5.746 16.171 503 HA ASP 66 HA ASP 66 -1.836 -2.825 16.603 504 HB2 ASP 66 1HB ASP 66 -1.054 -3.359 18.913 505 HB3 ASP 66 2HB ASP 66 -2.480 -4.286 18.444 506 H THR 67 H THR 67 0.343 -4.493 14.948 507 HA THR 67 HA THR 67 2.678 -2.887 15.954 508 HB THR 67 HB THR 67 2.720 -5.660 14.723 509 HG1 THR 67 HG1 THR 67 2.524 -6.267 16.704 510 HG21 THR 67 3HG2 THR 67 5.152 -5.522 15.390 511 HG22 THR 67 1HG2 THR 67 4.902 -3.804 15.701 512 HG23 THR 67 2HG2 THR 67 4.694 -4.444 14.070 513 H CYS 68 H CYS 68 3.573 -1.576 14.442 514 HA CYS 68 HA CYS 68 2.476 -1.618 11.705 515 HB2 CYS 68 1HB CYS 68 4.063 0.424 11.505 516 HB3 CYS 68 2HB CYS 68 2.678 0.570 12.586 517 HG CYS 68 HG CYS 68 4.836 -0.452 14.290 518 H VAL 69 H VAL 69 3.481 -2.689 10.072 519 HA VAL 69 HA VAL 69 5.945 -4.103 10.439 520 HB VAL 69 HB VAL 69 4.427 -3.351 7.924 521 HG11 VAL 69 1HG1 VAL 69 5.772 -5.322 6.977 522 HG12 VAL 69 2HG1 VAL 69 6.837 -5.118 8.367 523 HG13 VAL 69 3HG1 VAL 69 6.650 -3.809 7.202 524 HG21 VAL 69 3HG2 VAL 69 3.664 -5.695 8.051 525 HG22 VAL 69 1HG2 VAL 69 3.228 -4.817 9.517 526 HG23 VAL 69 2HG2 VAL 69 4.600 -5.923 9.527 527 H SER 70 H SER 70 5.187 -1.084 8.681 528 HA SER 70 HA SER 70 7.428 0.390 9.323 529 HB2 SER 70 1HB SER 70 8.070 -1.715 7.305 530 HB3 SER 70 2HB SER 70 8.744 -0.114 7.014 531 HG SER 70 HG SER 70 10.171 -0.670 8.447 532 H THR 71 H THR 71 7.971 2.072 7.529 533 HA THR 71 HA THR 71 5.450 2.690 6.023 534 HB THR 71 HB THR 71 7.633 4.497 7.103 535 HG1 THR 71 HG1 THR 71 5.383 5.290 7.963 536 HG21 THR 71 3HG2 THR 71 5.988 6.302 6.279 537 HG22 THR 71 1HG2 THR 71 5.299 5.034 5.265 538 HG23 THR 71 2HG2 THR 71 6.986 5.508 5.062 539 H MET 72 H MET 72 5.562 2.930 3.832 540 HA MET 72 HA MET 72 7.991 2.074 2.485 541 HB2 MET 72 1HB MET 72 5.371 3.173 1.425 542 HB3 MET 72 2HB MET 72 6.662 2.517 0.418 543 HG2 MET 72 1HG MET 72 6.497 0.359 1.602 544 HG3 MET 72 2HG MET 72 5.198 1.012 2.602 545 HE1 MET 72 3HE MET 72 4.493 -1.216 1.894 546 HE2 MET 72 1HE MET 72 3.673 -1.630 0.384 547 HE3 MET 72 2HE MET 72 2.856 -0.641 1.586 548 H ASP 73 H ASP 73 9.632 3.382 1.904 549 HA ASP 73 HA ASP 73 9.084 6.249 1.265 550 HB2 ASP 73 1HB ASP 73 9.860 5.984 3.667 551 HB3 ASP 73 2HB ASP 73 11.381 5.359 3.028 552 H ASN 74 H ASN 74 11.107 3.395 0.937 553 HA ASN 74 HA ASN 74 12.957 4.743 -0.919 554 HB2 ASN 74 1HB ASN 74 13.819 3.036 0.617 555 HB3 ASN 74 2HB ASN 74 12.726 1.841 -0.080 556 HD21 ASN 74 2HD2 ASN 74 15.437 4.027 -0.972 557 HD22 ASN 74 1HD2 ASN 74 16.001 3.058 -2.246 558 H ASN 75 H ASN 75 12.179 5.135 -2.926 559 HA ASN 75 HA ASN 75 10.048 3.682 -4.176 560 HB2 ASN 75 1HB ASN 75 10.620 5.974 -4.840 561 HB3 ASN 75 2HB ASN 75 12.196 5.429 -5.412 562 HD21 ASN 75 2HD2 ASN 75 10.709 6.642 -7.341 563 HD22 ASN 75 1HD2 ASN 75 10.021 5.514 -8.407 564 H ASP 76 H ASP 76 13.565 3.378 -4.296 565 HA ASP 76 HA ASP 76 13.689 1.511 -6.467 566 HB2 ASP 76 1HB ASP 76 15.528 2.033 -4.117 567 HB3 ASP 76 2HB ASP 76 15.914 0.883 -5.398 568 H ALA 77 H ALA 77 12.165 1.157 -3.551 569 HA ALA 77 HA ALA 77 12.872 -1.701 -3.164 570 HB1 ALA 77 3HB ALA 77 11.473 -1.561 -1.168 571 HB2 ALA 77 1HB ALA 77 10.909 0.042 -1.642 572 HB3 ALA 77 2HB ALA 77 12.596 -0.203 -1.192 573 H GLN 78 H GLN 78 11.328 -3.375 -3.402 574 HA GLN 78 HA GLN 78 9.212 -2.791 -5.374 575 HB2 GLN 78 1HB GLN 78 10.277 -5.373 -4.208 576 HB3 GLN 78 2HB GLN 78 8.966 -5.296 -5.387 577 HG2 GLN 78 1HG GLN 78 10.432 -4.159 -6.985 578 HG3 GLN 78 2HG GLN 78 11.743 -4.154 -5.805 579 HE21 GLN 78 2HE2 GLN 78 10.605 -5.848 -8.453 580 HE22 GLN 78 1HE2 GLN 78 11.310 -7.358 -8.132 581 H LEU 79 H LEU 79 7.020 -3.688 -5.049 582 HA LEU 79 HA LEU 79 5.869 -2.864 -2.572 583 HB2 LEU 79 1HB LEU 79 4.545 -2.921 -4.620 584 HB3 LEU 79 2HB LEU 79 4.766 -4.663 -4.754 585 HG LEU 79 HG LEU 79 3.489 -5.027 -2.703 586 HD11 LEU 79 1HD1 LEU 79 3.622 -2.018 -2.547 587 HD12 LEU 79 2HD1 LEU 79 3.952 -3.212 -1.293 588 HD13 LEU 79 3HD1 LEU 79 2.291 -2.888 -1.779 589 HD21 LEU 79 3HD2 LEU 79 1.298 -4.236 -3.484 590 HD22 LEU 79 1HD2 LEU 79 2.266 -4.788 -4.850 591 HD23 LEU 79 2HD2 LEU 79 2.083 -3.063 -4.541 592 H GLY 80 H GLY 80 6.734 -6.091 -3.810 593 HA2 GLY 80 1HA GLY 80 5.703 -7.491 -1.498 594 HA3 GLY 80 2HA GLY 80 6.812 -8.164 -2.694 595 H TYR 81 H TYR 81 8.285 -5.403 -1.820 596 HA TYR 81 HA TYR 81 10.343 -6.684 -0.306 597 HB2 TYR 81 1HB TYR 81 10.585 -4.533 -1.600 598 HB3 TYR 81 2HB TYR 81 9.674 -3.725 -0.325 599 HD1 TYR 81 HD2 TYR 81 10.588 -3.669 2.018 600 HD2 TYR 81 HD1 TYR 81 12.880 -5.133 -1.305 601 HE1 TYR 81 HE2 TYR 81 12.665 -3.449 3.355 602 HE2 TYR 81 HE1 TYR 81 14.956 -4.915 0.031 603 HH TYR 81 HH TYR 81 15.846 -4.222 1.940 604 H TYR 82 H TYR 82 7.634 -4.588 0.696 605 HA TYR 82 HA TYR 82 8.172 -5.306 3.555 606 HB2 TYR 82 1HB TYR 82 6.432 -3.130 2.350 607 HB3 TYR 82 2HB TYR 82 6.693 -3.395 4.073 608 HD1 TYR 82 HD2 TYR 82 9.070 -3.263 4.984 609 HD2 TYR 82 HD1 TYR 82 7.991 -1.894 1.059 610 HE1 TYR 82 HE2 TYR 82 11.153 -1.922 4.878 611 HE2 TYR 82 HE1 TYR 82 10.075 -0.554 0.952 612 HH TYR 82 HH TYR 82 12.023 -0.107 1.945 613 H ALA 83 H ALA 83 5.820 -5.549 0.961 614 HA ALA 83 HA ALA 83 3.888 -6.915 2.802 615 HB1 ALA 83 3HB ALA 83 2.237 -6.551 1.025 616 HB2 ALA 83 1HB ALA 83 3.482 -5.850 -0.009 617 HB3 ALA 83 2HB ALA 83 2.996 -5.023 1.471 618 H ASN 84 H ASN 84 5.520 -8.770 2.664 619 HA ASN 84 HA ASN 84 5.310 -10.299 0.104 620 HB2 ASN 84 1HB ASN 84 7.131 -11.673 1.017 621 HB3 ASN 84 2HB ASN 84 7.578 -9.967 1.053 622 HD21 ASN 84 2HD2 ASN 84 9.113 -10.832 2.839 623 HD22 ASN 84 1HD2 ASN 84 8.496 -10.904 4.419 624 H SER 85 H SER 85 3.392 -9.958 2.616 625 HA SER 85 HA SER 85 2.632 -12.848 2.678 626 HB2 SER 85 1HB SER 85 3.876 -12.381 4.759 627 HB3 SER 85 2HB SER 85 2.815 -11.017 5.096 628 HG SER 85 HG SER 85 1.300 -12.356 5.715 629 H ASP 86 H ASP 86 0.387 -13.190 2.875 630 HA ASP 86 HA ASP 86 -1.279 -10.922 2.052 631 HB2 ASP 86 1HB ASP 86 -3.066 -12.622 1.896 632 HB3 ASP 86 2HB ASP 86 -1.608 -13.157 1.059 633 H GLY 87 H GLY 87 -3.419 -10.569 3.200 634 HA2 GLY 87 1HA GLY 87 -4.740 -10.429 5.188 635 HA3 GLY 87 2HA GLY 87 -3.448 -11.230 6.083 636 H LEU 88 H LEU 88 -1.922 -8.956 4.300 637 HA LEU 88 HA LEU 88 -1.542 -7.201 6.594 638 HB2 LEU 88 1HB LEU 88 -0.586 -6.939 3.726 639 HB3 LEU 88 2HB LEU 88 -0.020 -5.969 5.086 640 HG LEU 88 HG LEU 88 0.210 -8.989 4.899 641 HD11 LEU 88 1HD1 LEU 88 2.598 -8.582 4.510 642 HD12 LEU 88 2HD1 LEU 88 2.327 -6.839 4.574 643 HD13 LEU 88 3HD1 LEU 88 1.637 -7.791 3.260 644 HD21 LEU 88 3HD2 LEU 88 1.949 -8.394 6.803 645 HD22 LEU 88 1HD2 LEU 88 0.239 -8.528 7.200 646 HD23 LEU 88 2HD2 LEU 88 0.970 -6.938 6.979 647 H ARG 89 H ARG 89 -2.003 -4.903 6.592 648 HA ARG 89 HA ARG 89 -4.278 -4.120 4.785 649 HB2 ARG 89 1HB ARG 89 -4.985 -4.550 7.141 650 HB3 ARG 89 2HB ARG 89 -3.843 -3.318 7.678 651 HG2 ARG 89 1HG ARG 89 -5.013 -1.622 6.332 652 HG3 ARG 89 2HG ARG 89 -6.141 -2.850 5.754 653 HD2 ARG 89 1HD ARG 89 -7.165 -1.626 7.593 654 HD3 ARG 89 2HD ARG 89 -6.825 -3.276 8.112 655 HE ARG 89 HE ARG 89 -4.602 -1.592 8.775 656 HH11 ARG 89 1HH2 ARG 89 -7.880 -2.285 9.578 657 HH12 ARG 89 2HH2 ARG 89 -7.715 -1.806 11.234 658 HH21 ARG 89 1HH1 ARG 89 -4.366 -0.966 10.932 659 HH22 ARG 89 2HH1 ARG 89 -5.725 -1.058 12.002 660 H LEU 90 H LEU 90 -4.022 -2.211 3.742 661 HA LEU 90 HA LEU 90 -1.594 -0.581 4.379 662 HB2 LEU 90 1HB LEU 90 -3.296 -0.620 1.865 663 HB3 LEU 90 2HB LEU 90 -1.783 0.257 2.089 664 HG LEU 90 HG LEU 90 -2.082 -2.759 2.245 665 HD11 LEU 90 1HD1 LEU 90 -1.074 -0.910 0.069 666 HD12 LEU 90 2HD1 LEU 90 -2.369 -2.102 -0.041 667 HD13 LEU 90 3HD1 LEU 90 -0.694 -2.632 0.111 668 HD21 LEU 90 3HD2 LEU 90 -0.210 -2.255 3.577 669 HD22 LEU 90 1HD2 LEU 90 0.228 -0.848 2.606 670 HD23 LEU 90 2HD2 LEU 90 0.525 -2.474 1.992 671 H HIS 91 H HIS 91 -1.901 1.381 5.267 672 HA HIS 91 HA HIS 91 -4.660 2.569 5.209 673 HB2 HIS 91 1HB HIS 91 -3.803 1.886 7.457 674 HB3 HIS 91 2HB HIS 91 -2.454 3.003 7.242 675 HD1 HIS 91 HD1 HIS 91 -6.254 3.255 6.850 676 HD2 HIS 91 HD2 HIS 91 -3.050 5.415 8.417 677 HE1 HIS 91 HE1 HIS 91 -7.231 5.375 7.834 678 H VAL 92 H VAL 92 -4.772 4.291 3.875 679 HA VAL 92 HA VAL 92 -2.322 5.749 3.114 680 HB VAL 92 HB VAL 92 -5.187 6.293 2.286 681 HG11 VAL 92 1HG1 VAL 92 -3.726 8.123 1.738 682 HG12 VAL 92 2HG1 VAL 92 -3.984 7.208 0.253 683 HG13 VAL 92 3HG1 VAL 92 -2.477 7.025 1.151 684 HG21 VAL 92 3HG2 VAL 92 -4.769 4.017 1.683 685 HG22 VAL 92 1HG2 VAL 92 -3.116 4.382 1.185 686 HG23 VAL 92 2HG2 VAL 92 -4.475 4.960 0.222 687 H VAL 93 H VAL 93 -1.677 7.536 4.184 688 HA VAL 93 HA VAL 93 -3.654 8.980 5.921 689 HB VAL 93 HB VAL 93 -0.638 8.730 6.113 690 HG11 VAL 93 1HG1 VAL 93 -1.124 10.928 6.863 691 HG12 VAL 93 2HG1 VAL 93 -1.085 9.957 8.334 692 HG13 VAL 93 3HG1 VAL 93 -2.633 10.422 7.626 693 HG21 VAL 93 3HG2 VAL 93 -1.306 7.700 8.347 694 HG22 VAL 93 1HG2 VAL 93 -1.701 6.742 6.921 695 HG23 VAL 93 2HG2 VAL 93 -2.961 7.669 7.737 696 H ASP 94 H ASP 94 -4.378 10.725 4.827 697 HA ASP 94 HA ASP 94 -2.516 12.221 3.041 698 HB2 ASP 94 1HB ASP 94 -4.731 11.553 2.137 699 HB3 ASP 94 2HB ASP 94 -5.517 12.490 3.408 700 H SER 95 H SER 95 -1.422 13.810 4.079 701 HA SER 95 HA SER 95 -2.790 15.970 5.386 702 HB2 SER 95 1HB SER 95 -1.765 15.594 7.672 703 HB3 SER 95 2HB SER 95 -3.058 14.473 7.257 704 HG SER 95 HG SER 95 -0.626 13.874 7.979 Start of MODEL 17 1 H1 MET 1 1H MET 1 -8.564 -22.931 15.175 2 H2 MET 1 2H MET 1 -9.350 -24.416 14.914 3 H3 MET 1 3H MET 1 -8.402 -23.724 13.684 4 HA MET 1 HA MET 1 -6.568 -23.871 15.576 5 HB2 MET 1 1HB MET 1 -8.279 -24.921 17.109 6 HB3 MET 1 2HB MET 1 -8.345 -26.292 16.003 7 HG2 MET 1 1HG MET 1 -5.953 -26.711 16.336 8 HG3 MET 1 2HG MET 1 -5.836 -25.301 17.388 9 HE1 MET 1 3HE MET 1 -7.434 -26.115 20.597 10 HE2 MET 1 1HE MET 1 -7.225 -24.890 19.337 11 HE3 MET 1 2HE MET 1 -5.821 -25.708 20.018 12 H GLY 2 H GLY 2 -6.065 -23.801 13.141 13 HA2 GLY 2 1HA GLY 2 -4.742 -24.920 11.518 14 HA3 GLY 2 2HA GLY 2 -5.058 -26.445 12.348 15 H HIS 3 H HIS 3 -7.949 -24.841 11.984 16 HA HIS 3 HA HIS 3 -8.755 -26.641 9.783 17 HB2 HIS 3 1HB HIS 3 -11.028 -25.944 10.326 18 HB3 HIS 3 2HB HIS 3 -10.184 -26.355 11.818 19 HD1 HIS 3 HD1 HIS 3 -9.800 -24.491 13.513 20 HD2 HIS 3 HD2 HIS 3 -11.361 -23.089 9.912 21 HE1 HIS 3 HE1 HIS 3 -10.424 -22.066 13.898 22 H HIS 4 H HIS 4 -7.642 -23.460 10.152 23 HA HIS 4 HA HIS 4 -9.181 -22.128 8.125 24 HB2 HIS 4 1HB HIS 4 -6.398 -21.597 9.202 25 HB3 HIS 4 2HB HIS 4 -7.264 -20.504 8.122 26 HD1 HIS 4 HD1 HIS 4 -7.137 -21.680 11.656 27 HD2 HIS 4 HD2 HIS 4 -9.603 -19.284 9.299 28 HE1 HIS 4 HE1 HIS 4 -8.658 -20.432 13.251 29 H HIS 5 H HIS 5 -8.898 -22.037 5.924 30 HA HIS 5 HA HIS 5 -7.060 -24.013 4.723 31 HB2 HIS 5 1HB HIS 5 -8.263 -23.564 2.649 32 HB3 HIS 5 2HB HIS 5 -9.425 -23.814 3.950 33 HD1 HIS 5 HD1 HIS 5 -10.548 -21.614 4.966 34 HD2 HIS 5 HD2 HIS 5 -8.369 -21.031 1.459 35 HE1 HIS 5 HE1 HIS 5 -11.246 -19.355 4.055 36 H HIS 6 H HIS 6 -5.337 -23.489 3.383 37 HA HIS 6 HA HIS 6 -4.586 -20.582 3.211 38 HB2 HIS 6 1HB HIS 6 -3.148 -21.998 4.732 39 HB3 HIS 6 2HB HIS 6 -2.692 -22.945 3.315 40 HD1 HIS 6 HD1 HIS 6 -1.162 -21.823 1.560 41 HD2 HIS 6 HD2 HIS 6 -2.080 -19.347 4.785 42 HE1 HIS 6 HE1 HIS 6 0.387 -19.827 1.393 43 H HIS 7 H HIS 7 -4.436 -19.838 1.172 44 HA HIS 7 HA HIS 7 -4.684 -21.680 -1.089 45 HB2 HIS 7 1HB HIS 7 -4.380 -18.670 -0.931 46 HB3 HIS 7 2HB HIS 7 -4.646 -19.562 -2.430 47 HD1 HIS 7 HD1 HIS 7 -6.928 -20.947 -2.578 48 HD2 HIS 7 HD2 HIS 7 -6.692 -18.250 0.592 49 HE1 HIS 7 HE1 HIS 7 -9.289 -20.654 -1.711 50 H HIS 8 H HIS 8 -3.066 -22.286 -2.478 51 HA HIS 8 HA HIS 8 -0.295 -21.669 -1.674 52 HB2 HIS 8 1HB HIS 8 -0.922 -23.988 -2.250 53 HB3 HIS 8 2HB HIS 8 -1.377 -23.463 -3.870 54 HD1 HIS 8 HD1 HIS 8 1.697 -23.423 -1.609 55 HD2 HIS 8 HD2 HIS 8 0.725 -23.515 -5.661 56 HE1 HIS 8 HE1 HIS 8 3.883 -23.680 -2.863 57 H SER 9 H SER 9 -0.852 -19.323 -2.357 58 HA SER 9 HA SER 9 -0.808 -18.836 -5.264 59 HB2 SER 9 1HB SER 9 -0.955 -16.480 -4.640 60 HB3 SER 9 2HB SER 9 -2.128 -17.399 -3.700 61 HG SER 9 HG SER 9 -0.311 -17.523 -2.104 62 H HIS 10 H HIS 10 1.470 -19.544 -2.923 63 HA HIS 10 HA HIS 10 3.586 -17.723 -3.693 64 HB2 HIS 10 1HB HIS 10 3.541 -18.904 -1.505 65 HB3 HIS 10 2HB HIS 10 3.778 -20.435 -2.350 66 HD1 HIS 10 HD1 HIS 10 5.510 -17.060 -1.977 67 HD2 HIS 10 HD2 HIS 10 6.440 -21.033 -2.831 68 HE1 HIS 10 HE1 HIS 10 8.035 -17.190 -2.117 69 H GLY 11 H GLY 11 5.431 -18.210 -4.983 70 HA2 GLY 11 1HA GLY 11 6.701 -19.451 -6.563 71 HA3 GLY 11 2HA GLY 11 5.475 -20.717 -6.528 72 H LYS 12 H LYS 12 3.808 -20.649 -8.024 73 HA LYS 12 HA LYS 12 4.261 -19.045 -10.393 74 HB2 LYS 12 1HB LYS 12 2.212 -21.082 -9.540 75 HB3 LYS 12 2HB LYS 12 1.941 -20.137 -11.005 76 HG2 LYS 12 1HG LYS 12 3.076 -22.231 -11.573 77 HG3 LYS 12 2HG LYS 12 4.161 -20.871 -11.858 78 HD2 LYS 12 1HD LYS 12 5.353 -21.288 -9.811 79 HD3 LYS 12 2HD LYS 12 4.156 -22.472 -9.286 80 HE2 LYS 12 1HE LYS 12 5.880 -22.761 -11.763 81 HE3 LYS 12 2HE LYS 12 6.234 -23.518 -10.210 82 HZ1 LYS 12 3HZ LYS 12 4.180 -24.164 -12.164 83 HZ2 LYS 12 1HZ LYS 12 3.718 -24.270 -10.536 84 HZ3 LYS 12 2HZ LYS 12 5.034 -25.182 -11.105 85 H SER 13 H SER 13 2.956 -17.405 -11.256 86 HA SER 13 HA SER 13 1.711 -15.426 -11.130 87 HB2 SER 13 1HB SER 13 -0.175 -16.888 -9.289 88 HB3 SER 13 2HB SER 13 -0.546 -15.707 -10.544 89 HG SER 13 HG SER 13 -0.435 -17.232 -12.015 90 H ASP 14 H ASP 14 2.883 -13.939 -9.982 91 HA ASP 14 HA ASP 14 3.092 -14.128 -7.044 92 HB2 ASP 14 1HB ASP 14 4.176 -12.194 -9.104 93 HB3 ASP 14 2HB ASP 14 4.402 -11.963 -7.371 94 H PHE 15 H PHE 15 0.872 -13.790 -6.443 95 HA PHE 15 HA PHE 15 0.053 -10.923 -6.542 96 HB2 PHE 15 1HB PHE 15 -1.682 -13.288 -7.303 97 HB3 PHE 15 2HB PHE 15 -2.317 -11.679 -6.954 98 HD1 PHE 15 HD2 PHE 15 -1.827 -9.778 -8.429 99 HD2 PHE 15 HD1 PHE 15 -0.392 -13.726 -9.317 100 HE1 PHE 15 HE2 PHE 15 -1.302 -9.066 -10.746 101 HE2 PHE 15 HE1 PHE 15 0.132 -13.016 -11.635 102 HZ PHE 15 HZ PHE 15 -0.323 -10.685 -12.349 103 H ILE 16 H ILE 16 -1.111 -10.276 -4.704 104 HA ILE 16 HA ILE 16 -1.676 -12.339 -2.620 105 HB ILE 16 HB ILE 16 -0.667 -10.860 -0.902 106 HG12 ILE 16 1HG1 ILE 16 0.429 -9.310 -3.272 107 HG13 ILE 16 2HG1 ILE 16 -0.882 -8.739 -2.241 108 HG21 ILE 16 1HG2 ILE 16 1.653 -11.392 -1.420 109 HG22 ILE 16 2HG2 ILE 16 1.260 -11.569 -3.131 110 HG23 ILE 16 3HG2 ILE 16 0.622 -12.718 -1.955 111 HD11 ILE 16 3HD1 ILE 16 1.284 -7.800 -1.524 112 HD12 ILE 16 1HD1 ILE 16 1.913 -9.431 -1.294 113 HD13 ILE 16 2HD1 ILE 16 0.597 -8.842 -0.278 114 H LYS 17 H LYS 17 -3.145 -11.521 -0.947 115 HA LYS 17 HA LYS 17 -4.973 -9.394 -2.016 116 HB2 LYS 17 1HB LYS 17 -5.488 -11.773 -0.211 117 HB3 LYS 17 2HB LYS 17 -6.675 -10.503 -0.514 118 HG2 LYS 17 1HG LYS 17 -6.542 -10.968 -2.939 119 HG3 LYS 17 2HG LYS 17 -5.382 -12.258 -2.623 120 HD2 LYS 17 1HD LYS 17 -7.046 -13.460 -1.285 121 HD3 LYS 17 2HD LYS 17 -8.206 -12.151 -1.522 122 HE2 LYS 17 1HE LYS 17 -8.668 -13.963 -3.106 123 HE3 LYS 17 2HE LYS 17 -8.105 -12.534 -3.974 124 HZ1 LYS 17 3HZ LYS 17 -6.210 -13.538 -4.580 125 HZ2 LYS 17 1HZ LYS 17 -7.072 -14.971 -4.296 126 HZ3 LYS 17 2HZ LYS 17 -6.029 -14.359 -3.103 127 H VAL 18 H VAL 18 -4.917 -7.525 -0.913 128 HA VAL 18 HA VAL 18 -4.379 -7.576 2.027 129 HB VAL 18 HB VAL 18 -2.936 -5.561 1.744 130 HG11 VAL 18 1HG1 VAL 18 -2.002 -7.890 1.879 131 HG12 VAL 18 2HG1 VAL 18 -0.975 -6.774 0.978 132 HG13 VAL 18 3HG1 VAL 18 -1.984 -7.935 0.116 133 HG21 VAL 18 3HG2 VAL 18 -2.064 -5.121 -0.570 134 HG22 VAL 18 1HG2 VAL 18 -3.781 -4.753 -0.394 135 HG23 VAL 18 2HG2 VAL 18 -3.276 -6.240 -1.195 136 H ASN 19 H ASN 19 -5.104 -5.558 3.077 137 HA ASN 19 HA ASN 19 -7.528 -4.464 1.711 138 HB2 ASN 19 1HB ASN 19 -6.689 -4.638 4.614 139 HB3 ASN 19 2HB ASN 19 -8.087 -3.707 4.075 140 HD21 ASN 19 2HD2 ASN 19 -8.350 -6.005 5.798 141 HD22 ASN 19 1HD2 ASN 19 -9.171 -7.214 4.933 142 H VAL 20 H VAL 20 -7.803 -2.235 1.500 143 HA VAL 20 HA VAL 20 -5.435 -0.515 2.195 144 HB VAL 20 HB VAL 20 -7.253 -0.450 -0.231 145 HG11 VAL 20 1HG1 VAL 20 -5.270 1.569 0.835 146 HG12 VAL 20 2HG1 VAL 20 -6.945 1.838 0.352 147 HG13 VAL 20 3HG1 VAL 20 -5.716 1.511 -0.871 148 HG21 VAL 20 3HG2 VAL 20 -5.275 -0.929 -1.475 149 HG22 VAL 20 1HG2 VAL 20 -5.243 -2.037 -0.103 150 HG23 VAL 20 2HG2 VAL 20 -4.235 -0.590 -0.092 151 H SER 21 H SER 21 -5.900 1.217 3.422 152 HA SER 21 HA SER 21 -8.721 2.203 3.595 153 HB2 SER 21 1HB SER 21 -8.352 0.758 5.544 154 HB3 SER 21 2HB SER 21 -6.850 1.602 5.914 155 HG SER 21 HG SER 21 -9.504 2.604 5.971 156 H ASN 22 H ASN 22 -8.851 4.465 4.058 157 HA ASN 22 HA ASN 22 -6.247 5.944 4.160 158 HB2 ASN 22 1HB ASN 22 -7.206 7.608 2.569 159 HB3 ASN 22 2HB ASN 22 -6.979 6.021 1.837 160 HD21 ASN 22 2HD2 ASN 22 -8.732 7.008 0.314 161 HD22 ASN 22 1HD2 ASN 22 -10.352 6.756 0.757 162 H SER 23 H SER 23 -6.370 7.982 5.180 163 HA SER 23 HA SER 23 -8.379 8.133 7.283 164 HB2 SER 23 1HB SER 23 -7.130 10.274 7.845 165 HB3 SER 23 2HB SER 23 -6.149 8.811 7.844 166 HG SER 23 HG SER 23 -5.264 9.398 5.940 167 H HIS 24 H HIS 24 -9.492 10.290 7.698 168 HA HIS 24 HA HIS 24 -11.099 11.856 7.059 169 HB2 HIS 24 1HB HIS 24 -9.250 12.135 4.669 170 HB3 HIS 24 2HB HIS 24 -10.558 13.242 5.066 171 HD1 HIS 24 HD1 HIS 24 -7.075 12.361 5.970 172 HD2 HIS 24 HD2 HIS 24 -10.125 14.742 7.522 173 HE1 HIS 24 HE1 HIS 24 -5.996 13.878 7.688 174 H ASN 25 H ASN 25 -10.201 10.530 3.868 175 HA ASN 25 HA ASN 25 -12.880 10.430 2.913 176 HB2 ASN 25 1HB ASN 25 -10.369 8.971 2.079 177 HB3 ASN 25 2HB ASN 25 -11.895 8.809 1.209 178 HD21 ASN 25 2HD2 ASN 25 -9.555 10.000 0.012 179 HD22 ASN 25 1HD2 ASN 25 -9.892 11.639 -0.273 180 H ASP 26 H ASP 26 -14.396 8.786 2.847 181 HA ASP 26 HA ASP 26 -14.020 6.582 4.804 182 HB2 ASP 26 1HB ASP 26 -16.474 6.231 4.443 183 HB3 ASP 26 2HB ASP 26 -16.091 7.862 4.996 184 H ALA 27 H ALA 27 -13.306 7.019 1.659 185 HA ALA 27 HA ALA 27 -14.491 4.681 0.425 186 HB1 ALA 27 3HB ALA 27 -13.648 6.607 -0.890 187 HB2 ALA 27 1HB ALA 27 -12.876 5.099 -1.386 188 HB3 ALA 27 2HB ALA 27 -12.008 6.238 -0.357 189 H VAL 28 H VAL 28 -13.972 2.638 1.009 190 HA VAL 28 HA VAL 28 -11.114 2.003 1.682 191 HB VAL 28 HB VAL 28 -13.650 1.002 3.010 192 HG11 VAL 28 1HG1 VAL 28 -10.816 -0.055 3.089 193 HG12 VAL 28 2HG1 VAL 28 -12.301 -0.947 2.758 194 HG13 VAL 28 3HG1 VAL 28 -11.968 -0.364 4.389 195 HG21 VAL 28 3HG2 VAL 28 -12.656 3.165 3.792 196 HG22 VAL 28 1HG2 VAL 28 -11.152 2.310 4.132 197 HG23 VAL 28 2HG2 VAL 28 -12.618 1.906 5.027 198 H ALA 29 H ALA 29 -10.286 0.315 0.528 199 HA ALA 29 HA ALA 29 -12.160 -1.193 -1.272 200 HB1 ALA 29 3HB ALA 29 -10.544 -0.118 -2.617 201 HB2 ALA 29 1HB ALA 29 -9.910 -1.755 -2.443 202 HB3 ALA 29 2HB ALA 29 -9.243 -0.442 -1.472 203 H PHE 30 H PHE 30 -12.265 -3.416 -1.093 204 HA PHE 30 HA PHE 30 -10.576 -4.688 1.043 205 HB2 PHE 30 1HB PHE 30 -13.389 -5.273 0.095 206 HB3 PHE 30 2HB PHE 30 -12.486 -6.339 1.175 207 HD1 PHE 30 HD2 PHE 30 -11.638 -5.435 3.382 208 HD2 PHE 30 HD1 PHE 30 -14.414 -3.282 0.909 209 HE1 PHE 30 HE2 PHE 30 -12.250 -4.005 5.314 210 HE2 PHE 30 HE1 PHE 30 -15.024 -1.851 2.841 211 HZ PHE 30 HZ PHE 30 -13.943 -2.212 5.043 212 H GLU 31 H GLU 31 -9.660 -6.695 0.654 213 HA GLU 31 HA GLU 31 -8.477 -8.207 -0.699 214 HB2 GLU 31 1HB GLU 31 -11.312 -8.432 -1.741 215 HB3 GLU 31 2HB GLU 31 -10.027 -9.576 -2.134 216 HG2 GLU 31 1HG GLU 31 -9.710 -10.079 0.245 217 HG3 GLU 31 2HG GLU 31 -10.940 -8.892 0.676 218 H VAL 32 H VAL 32 -7.444 -6.153 -1.698 219 HA VAL 32 HA VAL 32 -8.242 -5.757 -4.540 220 HB VAL 32 HB VAL 32 -7.693 -3.787 -3.035 221 HG11 VAL 32 1HG1 VAL 32 -5.717 -5.084 -1.976 222 HG12 VAL 32 2HG1 VAL 32 -5.474 -3.375 -2.335 223 HG13 VAL 32 3HG1 VAL 32 -4.809 -4.604 -3.410 224 HG21 VAL 32 3HG2 VAL 32 -6.067 -4.291 -5.542 225 HG22 VAL 32 1HG2 VAL 32 -6.200 -2.710 -4.771 226 HG23 VAL 32 2HG2 VAL 32 -7.637 -3.494 -5.427 227 H LYS 33 H LYS 33 -7.230 -6.940 -6.085 228 HA LYS 33 HA LYS 33 -4.921 -8.604 -5.364 229 HB2 LYS 33 1HB LYS 33 -6.961 -9.190 -6.915 230 HB3 LYS 33 2HB LYS 33 -6.033 -8.353 -8.156 231 HG2 LYS 33 1HG LYS 33 -4.160 -9.872 -7.854 232 HG3 LYS 33 2HG LYS 33 -4.948 -10.633 -6.473 233 HD2 LYS 33 1HD LYS 33 -5.329 -12.081 -8.341 234 HD3 LYS 33 2HD LYS 33 -6.852 -11.253 -8.029 235 HE2 LYS 33 1HE LYS 33 -6.565 -9.796 -9.887 236 HE3 LYS 33 2HE LYS 33 -4.857 -10.206 -10.047 237 HZ1 LYS 33 3HZ LYS 33 -5.390 -11.878 -11.369 238 HZ2 LYS 33 1HZ LYS 33 -7.019 -11.412 -11.299 239 HZ3 LYS 33 2HZ LYS 33 -6.414 -12.547 -10.190 240 H LEU 34 H LEU 34 -2.892 -7.831 -5.506 241 HA LEU 34 HA LEU 34 -2.185 -5.998 -7.763 242 HB2 LEU 34 1HB LEU 34 -1.404 -5.658 -4.850 243 HB3 LEU 34 2HB LEU 34 -0.762 -4.701 -6.181 244 HG LEU 34 HG LEU 34 -3.713 -4.895 -5.507 245 HD11 LEU 34 1HD1 LEU 34 -2.536 -3.811 -3.671 246 HD12 LEU 34 2HD1 LEU 34 -3.408 -2.590 -4.598 247 HD13 LEU 34 3HD1 LEU 34 -1.667 -2.774 -4.802 248 HD21 LEU 34 3HD2 LEU 34 -2.078 -3.343 -7.517 249 HD22 LEU 34 1HD2 LEU 34 -3.580 -2.656 -6.900 250 HD23 LEU 34 2HD2 LEU 34 -3.602 -4.196 -7.748 251 H ALA 35 H ALA 35 -0.321 -6.572 -8.761 252 HA ALA 35 HA ALA 35 0.957 -9.065 -8.066 253 HB1 ALA 35 3HB ALA 35 1.382 -6.930 -10.127 254 HB2 ALA 35 1HB ALA 35 1.072 -8.647 -10.353 255 HB3 ALA 35 2HB ALA 35 2.673 -8.102 -9.861 256 H LYS 36 H LYS 36 2.912 -9.428 -7.043 257 HA LYS 36 HA LYS 36 3.851 -7.420 -5.188 258 HB2 LYS 36 1HB LYS 36 5.030 -10.075 -6.038 259 HB3 LYS 36 2HB LYS 36 5.624 -9.110 -4.687 260 HG2 LYS 36 1HG LYS 36 3.351 -9.208 -3.666 261 HG3 LYS 36 2HG LYS 36 2.843 -10.280 -4.971 262 HD2 LYS 36 1HD LYS 36 5.205 -10.881 -3.185 263 HD3 LYS 36 2HD LYS 36 3.574 -11.429 -2.815 264 HE2 LYS 36 1HE LYS 36 3.560 -12.482 -5.157 265 HE3 LYS 36 2HE LYS 36 5.298 -12.185 -5.180 266 HZ1 LYS 36 3HZ LYS 36 4.264 -14.400 -4.226 267 HZ2 LYS 36 1HZ LYS 36 4.208 -13.472 -2.809 268 HZ3 LYS 36 2HZ LYS 36 5.689 -13.722 -3.601 269 H ASP 37 H ASP 37 4.554 -8.078 -8.459 270 HA ASP 37 HA ASP 37 7.304 -7.084 -8.417 271 HB2 ASP 37 1HB ASP 37 5.367 -7.676 -10.670 272 HB3 ASP 37 2HB ASP 37 7.029 -7.143 -10.925 273 H LEU 38 H LEU 38 4.402 -5.548 -8.018 274 HA LEU 38 HA LEU 38 4.848 -3.240 -9.746 275 HB2 LEU 38 1HB LEU 38 3.011 -3.627 -7.366 276 HB3 LEU 38 2HB LEU 38 2.980 -2.233 -8.444 277 HG LEU 38 HG LEU 38 2.578 -5.102 -9.333 278 HD11 LEU 38 1HD1 LEU 38 0.189 -4.251 -9.687 279 HD12 LEU 38 2HD1 LEU 38 0.637 -2.881 -8.670 280 HD13 LEU 38 3HD1 LEU 38 0.680 -4.518 -8.014 281 HD21 LEU 38 3HD2 LEU 38 3.298 -3.978 -11.257 282 HD22 LEU 38 1HD2 LEU 38 2.619 -2.435 -10.738 283 HD23 LEU 38 2HD2 LEU 38 1.562 -3.708 -11.347 284 H THR 39 H THR 39 5.681 -1.248 -9.173 285 HA THR 39 HA THR 39 7.487 -1.230 -6.851 286 HB THR 39 HB THR 39 8.092 1.058 -7.814 287 HG1 THR 39 HG1 THR 39 5.945 0.361 -9.324 288 HG21 THR 39 3HG2 THR 39 8.304 -1.354 -9.637 289 HG22 THR 39 1HG2 THR 39 9.377 -1.003 -8.281 290 HG23 THR 39 2HG2 THR 39 9.344 0.071 -9.679 291 H VAL 40 H VAL 40 7.546 0.741 -5.461 292 HA VAL 40 HA VAL 40 5.015 1.193 -4.196 293 HB VAL 40 HB VAL 40 7.688 2.603 -3.986 294 HG11 VAL 40 1HG1 VAL 40 5.103 3.036 -2.481 295 HG12 VAL 40 2HG1 VAL 40 6.128 4.240 -3.263 296 HG13 VAL 40 3HG1 VAL 40 6.668 3.453 -1.780 297 HG21 VAL 40 3HG2 VAL 40 7.978 1.292 -2.004 298 HG22 VAL 40 1HG2 VAL 40 7.389 0.177 -3.237 299 HG23 VAL 40 2HG2 VAL 40 6.286 0.793 -2.008 300 H ALA 41 H ALA 41 6.992 3.187 -6.389 301 HA ALA 41 HA ALA 41 5.360 5.510 -6.372 302 HB1 ALA 41 3HB ALA 41 7.003 4.356 -8.649 303 HB2 ALA 41 1HB ALA 41 7.599 5.451 -7.403 304 HB3 ALA 41 2HB ALA 41 6.396 6.009 -8.568 305 H GLN 42 H GLN 42 5.231 2.632 -8.476 306 HA GLN 42 HA GLN 42 3.013 3.525 -10.052 307 HB2 GLN 42 1HB GLN 42 4.038 0.752 -9.385 308 HB3 GLN 42 2HB GLN 42 2.724 1.046 -10.524 309 HG2 GLN 42 1HG GLN 42 4.188 2.432 -11.908 310 HG3 GLN 42 2HG GLN 42 5.502 2.243 -10.746 311 HE21 GLN 42 2HE2 GLN 42 4.302 0.985 -13.627 312 HE22 GLN 42 1HE2 GLN 42 5.039 -0.543 -13.571 313 H LEU 43 H LEU 43 3.240 1.763 -6.993 314 HA LEU 43 HA LEU 43 0.479 1.084 -6.756 315 HB2 LEU 43 1HB LEU 43 2.240 0.128 -5.299 316 HB3 LEU 43 2HB LEU 43 2.491 1.710 -4.567 317 HG LEU 43 HG LEU 43 0.158 1.705 -3.750 318 HD11 LEU 43 1HD1 LEU 43 -1.117 0.411 -5.228 319 HD12 LEU 43 2HD1 LEU 43 -0.942 -0.692 -3.868 320 HD13 LEU 43 3HD1 LEU 43 0.080 -0.882 -5.293 321 HD21 LEU 43 3HD2 LEU 43 1.902 0.821 -2.294 322 HD22 LEU 43 1HD2 LEU 43 1.786 -0.759 -3.066 323 HD23 LEU 43 2HD2 LEU 43 0.443 -0.151 -2.099 324 H LYS 44 H LYS 44 2.319 3.968 -5.803 325 HA LYS 44 HA LYS 44 0.211 5.330 -4.456 326 HB2 LYS 44 1HB LYS 44 2.612 6.357 -5.988 327 HB3 LYS 44 2HB LYS 44 1.509 7.421 -5.113 328 HG2 LYS 44 1HG LYS 44 1.956 6.171 -3.030 329 HG3 LYS 44 2HG LYS 44 3.071 5.119 -3.904 330 HD2 LYS 44 1HD LYS 44 4.512 7.015 -4.433 331 HD3 LYS 44 2HD LYS 44 3.370 8.128 -3.679 332 HE2 LYS 44 1HE LYS 44 3.705 7.008 -1.507 333 HE3 LYS 44 2HE LYS 44 4.847 5.894 -2.256 334 HZ1 LYS 44 3HZ LYS 44 5.549 8.192 -1.100 335 HZ2 LYS 44 1HZ LYS 44 5.375 8.707 -2.706 336 HZ3 LYS 44 2HZ LYS 44 6.448 7.444 -2.332 337 H THR 45 H THR 45 1.073 5.136 -7.883 338 HA THR 45 HA THR 45 -0.692 7.139 -8.866 339 HB THR 45 HB THR 45 -0.024 4.523 -10.245 340 HG1 THR 45 HG1 THR 45 1.573 6.521 -9.385 341 HG21 THR 45 3HG2 THR 45 -0.526 7.311 -11.318 342 HG22 THR 45 1HG2 THR 45 -1.696 5.994 -11.343 343 HG23 THR 45 2HG2 THR 45 -0.208 5.868 -12.279 344 H LYS 46 H LYS 46 -1.221 3.639 -8.387 345 HA LYS 46 HA LYS 46 -3.951 3.623 -9.246 346 HB2 LYS 46 1HB LYS 46 -2.452 1.834 -7.310 347 HB3 LYS 46 2HB LYS 46 -4.090 1.508 -7.875 348 HG2 LYS 46 1HG LYS 46 -3.292 1.469 -10.203 349 HG3 LYS 46 2HG LYS 46 -1.653 1.818 -9.654 350 HD2 LYS 46 1HD LYS 46 -1.631 -0.272 -8.354 351 HD3 LYS 46 2HD LYS 46 -3.276 -0.623 -8.883 352 HE2 LYS 46 1HE LYS 46 -2.516 -0.675 -11.229 353 HE3 LYS 46 2HE LYS 46 -0.870 -0.320 -10.705 354 HZ1 LYS 46 3HZ LYS 46 -2.165 -2.569 -9.401 355 HZ2 LYS 46 1HZ LYS 46 -0.565 -2.400 -9.942 356 HZ3 LYS 46 2HZ LYS 46 -1.799 -2.784 -11.046 357 H LEU 47 H LEU 47 -2.458 4.040 -6.054 358 HA LEU 47 HA LEU 47 -4.900 4.248 -4.575 359 HB2 LEU 47 1HB LEU 47 -2.136 5.376 -4.047 360 HB3 LEU 47 2HB LEU 47 -3.450 5.414 -2.875 361 HG LEU 47 HG LEU 47 -2.408 2.871 -4.156 362 HD11 LEU 47 1HD1 LEU 47 -0.606 3.739 -2.853 363 HD12 LEU 47 2HD1 LEU 47 -1.389 2.523 -1.844 364 HD13 LEU 47 3HD1 LEU 47 -1.692 4.236 -1.555 365 HD21 LEU 47 3HD2 LEU 47 -4.537 2.334 -3.347 366 HD22 LEU 47 1HD2 LEU 47 -4.462 3.516 -2.043 367 HD23 LEU 47 2HD2 LEU 47 -3.560 2.007 -1.922 368 H GLU 48 H GLU 48 -2.880 6.642 -6.234 369 HA GLU 48 HA GLU 48 -4.062 9.022 -5.352 370 HB2 GLU 48 1HB GLU 48 -2.132 8.866 -6.942 371 HB3 GLU 48 2HB GLU 48 -3.260 8.395 -8.212 372 HG2 GLU 48 1HG GLU 48 -4.480 10.527 -7.910 373 HG3 GLU 48 2HG GLU 48 -3.327 10.993 -6.659 374 H ILE 49 H ILE 49 -5.112 6.960 -8.076 375 HA ILE 49 HA ILE 49 -7.449 8.516 -8.668 376 HB ILE 49 HB ILE 49 -6.799 5.600 -9.191 377 HG12 ILE 49 1HG1 ILE 49 -6.841 7.967 -11.081 378 HG13 ILE 49 2HG1 ILE 49 -5.384 7.440 -10.238 379 HG21 ILE 49 1HG2 ILE 49 -9.175 5.740 -9.315 380 HG22 ILE 49 2HG2 ILE 49 -8.623 5.918 -10.980 381 HG23 ILE 49 3HG2 ILE 49 -9.118 7.338 -10.059 382 HD11 ILE 49 3HD1 ILE 49 -5.498 6.444 -12.491 383 HD12 ILE 49 1HD1 ILE 49 -7.062 5.728 -12.096 384 HD13 ILE 49 2HD1 ILE 49 -5.609 5.198 -11.246 385 H LEU 50 H LEU 50 -6.959 5.637 -6.623 386 HA LEU 50 HA LEU 50 -9.690 5.233 -5.932 387 HB2 LEU 50 1HB LEU 50 -7.477 3.814 -5.491 388 HB3 LEU 50 2HB LEU 50 -7.501 4.653 -3.950 389 HG LEU 50 HG LEU 50 -8.684 2.580 -3.651 390 HD11 LEU 50 1HD1 LEU 50 -10.890 4.603 -4.018 391 HD12 LEU 50 2HD1 LEU 50 -9.694 4.761 -2.728 392 HD13 LEU 50 3HD1 LEU 50 -10.746 3.349 -2.789 393 HD21 LEU 50 3HD2 LEU 50 -9.231 2.569 -6.283 394 HD22 LEU 50 1HD2 LEU 50 -10.775 3.205 -5.712 395 HD23 LEU 50 2HD2 LEU 50 -10.191 1.648 -5.134 396 H THR 51 H THR 51 -7.155 7.129 -4.266 397 HA THR 51 HA THR 51 -9.182 8.133 -2.340 398 HB THR 51 HB THR 51 -7.308 9.066 -1.136 399 HG1 THR 51 HG1 THR 51 -5.791 9.817 -2.366 400 HG21 THR 51 3HG2 THR 51 -6.069 7.078 -0.642 401 HG22 THR 51 1HG2 THR 51 -6.348 6.425 -2.256 402 HG23 THR 51 2HG2 THR 51 -7.684 6.548 -1.112 403 H GLY 52 H GLY 52 -7.761 9.036 -5.312 404 HA2 GLY 52 1HA GLY 52 -8.036 10.972 -6.610 405 HA3 GLY 52 2HA GLY 52 -9.300 11.450 -5.477 406 H GLY 53 H GLY 53 -6.809 10.924 -3.492 407 HA2 GLY 53 1HA GLY 53 -6.270 13.742 -3.115 408 HA3 GLY 53 2HA GLY 53 -5.497 12.420 -2.239 409 H CYS 54 H CYS 54 -3.737 14.222 -2.724 410 HA CYS 54 HA CYS 54 -2.528 13.986 -5.400 411 HB2 CYS 54 1HB CYS 54 -2.392 16.163 -4.425 412 HB3 CYS 54 2HB CYS 54 -1.810 15.518 -2.891 413 HG CYS 54 HG CYS 54 -0.008 16.378 -5.046 414 H ALA 55 H ALA 55 -1.031 12.501 -5.903 415 HA ALA 55 HA ALA 55 -0.139 10.495 -4.068 416 HB1 ALA 55 3HB ALA 55 -0.278 10.268 -6.580 417 HB2 ALA 55 1HB ALA 55 1.239 9.701 -5.882 418 HB3 ALA 55 2HB ALA 55 1.170 11.268 -6.686 419 H GLY 56 H GLY 56 1.319 13.514 -5.199 420 HA2 GLY 56 1HA GLY 56 3.944 13.080 -4.175 421 HA3 GLY 56 2HA GLY 56 3.222 14.664 -4.455 422 H THR 57 H THR 57 0.994 14.270 -2.627 423 HA THR 57 HA THR 57 2.473 14.680 -0.071 424 HB THR 57 HB THR 57 0.456 15.771 0.711 425 HG1 THR 57 HG1 THR 57 -0.610 14.437 -1.490 426 HG21 THR 57 3HG2 THR 57 0.374 17.618 -0.787 427 HG22 THR 57 1HG2 THR 57 0.764 16.603 -2.176 428 HG23 THR 57 2HG2 THR 57 1.996 16.947 -0.963 429 H MET 58 H MET 58 1.073 12.167 -1.661 430 HA MET 58 HA MET 58 -0.442 10.993 0.554 431 HB2 MET 58 1HB MET 58 -0.947 10.569 -1.879 432 HB3 MET 58 2HB MET 58 0.550 9.642 -1.970 433 HG2 MET 58 1HG MET 58 -0.362 8.268 -0.004 434 HG3 MET 58 2HG MET 58 -1.909 9.053 -0.318 435 HE1 MET 58 3HE MET 58 -3.159 7.797 -3.574 436 HE2 MET 58 1HE MET 58 -2.369 9.350 -3.275 437 HE3 MET 58 2HE MET 58 -3.433 8.649 -2.058 438 H LYS 59 H LYS 59 0.265 9.403 1.943 439 HA LYS 59 HA LYS 59 3.131 8.519 1.724 440 HB2 LYS 59 1HB LYS 59 1.561 9.268 4.203 441 HB3 LYS 59 2HB LYS 59 3.157 8.516 4.224 442 HG2 LYS 59 1HG LYS 59 4.004 10.426 2.832 443 HG3 LYS 59 2HG LYS 59 2.434 11.204 3.026 444 HD2 LYS 59 1HD LYS 59 4.162 10.335 5.357 445 HD3 LYS 59 2HD LYS 59 4.206 11.959 4.674 446 HE2 LYS 59 1HE LYS 59 1.662 12.014 5.064 447 HE3 LYS 59 2HE LYS 59 1.905 10.587 6.071 448 HZ1 LYS 59 3HZ LYS 59 2.169 12.225 7.604 449 HZ2 LYS 59 1HZ LYS 59 2.808 13.336 6.495 450 HZ3 LYS 59 2HZ LYS 59 3.779 12.072 7.084 451 H VAL 60 H VAL 60 3.498 6.355 2.200 452 HA VAL 60 HA VAL 60 1.058 4.652 2.628 453 HB VAL 60 HB VAL 60 3.614 4.145 1.078 454 HG11 VAL 60 1HG1 VAL 60 1.457 2.245 2.014 455 HG12 VAL 60 2HG1 VAL 60 3.206 2.072 2.158 456 HG13 VAL 60 3HG1 VAL 60 2.433 1.902 0.583 457 HG21 VAL 60 3HG2 VAL 60 2.089 3.879 -0.807 458 HG22 VAL 60 1HG2 VAL 60 1.769 5.428 -0.025 459 HG23 VAL 60 2HG2 VAL 60 0.694 4.059 0.257 460 H GLN 61 H GLN 61 1.070 3.388 4.415 461 HA GLN 61 HA GLN 61 3.675 2.855 5.805 462 HB2 GLN 61 1HB GLN 61 1.064 3.784 7.041 463 HB3 GLN 61 2HB GLN 61 2.425 3.152 7.971 464 HG2 GLN 61 1HG GLN 61 3.875 4.928 7.095 465 HG3 GLN 61 2HG GLN 61 2.548 5.546 6.113 466 HE21 GLN 61 2HE2 GLN 61 4.121 6.589 8.640 467 HE22 GLN 61 1HE2 GLN 61 2.873 7.132 9.655 468 H VAL 62 H VAL 62 3.919 0.730 6.262 469 HA VAL 62 HA VAL 62 1.798 -1.132 5.518 470 HB VAL 62 HB VAL 62 4.465 -1.689 6.845 471 HG11 VAL 62 1HG1 VAL 62 2.863 -3.547 6.987 472 HG12 VAL 62 2HG1 VAL 62 4.154 -3.936 5.850 473 HG13 VAL 62 3HG1 VAL 62 2.570 -3.442 5.252 474 HG21 VAL 62 3HG2 VAL 62 5.082 -2.277 4.415 475 HG22 VAL 62 1HG2 VAL 62 4.971 -0.564 4.813 476 HG23 VAL 62 2HG2 VAL 62 3.653 -1.357 3.951 477 H PHE 63 H PHE 63 0.401 -2.139 6.876 478 HA PHE 63 HA PHE 63 0.839 -1.894 9.832 479 HB2 PHE 63 1HB PHE 63 -1.537 -1.196 8.152 480 HB3 PHE 63 2HB PHE 63 -1.855 -1.919 9.727 481 HD1 PHE 63 HD1 PHE 63 -0.425 0.984 7.954 482 HD2 PHE 63 HD2 PHE 63 -1.254 -0.769 11.786 483 HE1 PHE 63 HE1 PHE 63 0.026 3.163 9.050 484 HE2 PHE 63 HE2 PHE 63 -0.806 1.410 12.882 485 HZ PHE 63 HZ PHE 63 -0.165 3.376 11.513 486 H LYS 64 H LYS 64 0.535 -3.718 10.979 487 HA LYS 64 HA LYS 64 -0.669 -6.093 9.602 488 HB2 LYS 64 1HB LYS 64 1.847 -6.182 9.604 489 HB3 LYS 64 2HB LYS 64 1.799 -6.146 11.367 490 HG2 LYS 64 1HG LYS 64 0.520 -8.211 11.424 491 HG3 LYS 64 2HG LYS 64 0.391 -8.220 9.665 492 HD2 LYS 64 1HD LYS 64 2.853 -8.397 9.494 493 HD3 LYS 64 2HD LYS 64 2.965 -8.429 11.254 494 HE2 LYS 64 1HE LYS 64 1.377 -10.427 9.623 495 HE3 LYS 64 2HE LYS 64 3.017 -10.711 10.209 496 HZ1 LYS 64 3HZ LYS 64 1.722 -11.617 11.866 497 HZ2 LYS 64 1HZ LYS 64 0.522 -10.426 11.745 498 HZ3 LYS 64 2HZ LYS 64 2.011 -10.057 12.473 499 H GLY 65 H GLY 65 -2.589 -5.739 10.812 500 HA2 GLY 65 1HA GLY 65 -3.887 -6.566 12.650 501 HA3 GLY 65 2HA GLY 65 -2.416 -6.685 13.616 502 H ASP 66 H ASP 66 -2.014 -5.072 15.041 503 HA ASP 66 HA ASP 66 -3.581 -2.516 14.795 504 HB2 ASP 66 1HB ASP 66 -2.821 -4.130 17.242 505 HB3 ASP 66 2HB ASP 66 -3.454 -2.485 17.320 506 H THR 67 H THR 67 -0.512 -3.857 14.728 507 HA THR 67 HA THR 67 0.755 -1.290 15.646 508 HB THR 67 HB THR 67 1.892 -4.096 15.753 509 HG1 THR 67 HG1 THR 67 1.150 -2.303 17.819 510 HG21 THR 67 3HG2 THR 67 3.672 -2.541 15.349 511 HG22 THR 67 1HG2 THR 67 3.693 -2.889 17.078 512 HG23 THR 67 2HG2 THR 67 2.997 -1.378 16.491 513 H CYS 68 H CYS 68 2.210 -0.344 14.302 514 HA CYS 68 HA CYS 68 2.242 -1.146 11.511 515 HB2 CYS 68 1HB CYS 68 3.985 0.785 11.422 516 HB3 CYS 68 2HB CYS 68 2.322 1.187 11.851 517 HG CYS 68 HG CYS 68 4.533 0.795 14.035 518 H VAL 69 H VAL 69 4.019 -1.954 10.334 519 HA VAL 69 HA VAL 69 6.159 -3.231 11.998 520 HB VAL 69 HB VAL 69 6.447 -4.766 10.084 521 HG11 VAL 69 1HG1 VAL 69 4.278 -5.931 10.314 522 HG12 VAL 69 2HG1 VAL 69 3.573 -4.474 11.013 523 HG13 VAL 69 3HG1 VAL 69 4.850 -5.335 11.872 524 HG21 VAL 69 3HG2 VAL 69 4.556 -4.657 8.328 525 HG22 VAL 69 1HG2 VAL 69 5.841 -3.457 8.191 526 HG23 VAL 69 2HG2 VAL 69 4.288 -3.010 8.897 527 H SER 70 H SER 70 5.661 -1.463 8.921 528 HA SER 70 HA SER 70 8.204 -0.079 9.288 529 HB2 SER 70 1HB SER 70 9.310 -0.944 7.294 530 HB3 SER 70 2HB SER 70 8.938 -2.282 8.377 531 HG SER 70 HG SER 70 7.012 -1.554 6.499 532 H THR 71 H THR 71 8.578 1.490 7.507 533 HA THR 71 HA THR 71 6.025 2.247 6.115 534 HB THR 71 HB THR 71 8.243 4.029 7.169 535 HG1 THR 71 HG1 THR 71 6.971 4.330 8.822 536 HG21 THR 71 3HG2 THR 71 5.767 4.558 5.528 537 HG22 THR 71 1HG2 THR 71 7.414 5.129 5.256 538 HG23 THR 71 2HG2 THR 71 6.451 5.806 6.568 539 H MET 72 H MET 72 6.146 2.362 3.937 540 HA MET 72 HA MET 72 8.457 1.497 2.508 541 HB2 MET 72 1HB MET 72 5.961 2.954 1.609 542 HB3 MET 72 2HB MET 72 7.182 2.343 0.491 543 HG2 MET 72 1HG MET 72 6.880 0.070 1.402 544 HG3 MET 72 2HG MET 72 5.657 0.677 2.516 545 HE1 MET 72 3HE MET 72 4.950 -1.514 1.345 546 HE2 MET 72 1HE MET 72 3.819 -1.525 -0.017 547 HE3 MET 72 2HE MET 72 3.358 -0.778 1.510 548 H ASP 73 H ASP 73 9.934 3.103 3.694 549 HA ASP 73 HA ASP 73 9.931 5.888 3.009 550 HB2 ASP 73 1HB ASP 73 12.126 4.008 3.912 551 HB3 ASP 73 2HB ASP 73 12.393 5.732 3.655 552 H ASN 74 H ASN 74 11.452 3.050 1.526 553 HA ASN 74 HA ASN 74 12.744 4.688 -0.548 554 HB2 ASN 74 1HB ASN 74 13.687 2.528 0.493 555 HB3 ASN 74 2HB ASN 74 12.523 1.675 -0.520 556 HD21 ASN 74 2HD2 ASN 74 15.372 1.414 -0.898 557 HD22 ASN 74 1HD2 ASN 74 15.763 2.092 -2.404 558 H ASN 75 H ASN 75 11.485 5.452 -2.154 559 HA ASN 75 HA ASN 75 8.969 4.211 -2.895 560 HB2 ASN 75 1HB ASN 75 8.839 5.976 -4.575 561 HB3 ASN 75 2HB ASN 75 9.389 6.664 -3.048 562 HD21 ASN 75 2HD2 ASN 75 10.233 8.369 -4.738 563 HD22 ASN 75 1HD2 ASN 75 11.796 8.106 -5.346 564 H ASP 76 H ASP 76 12.224 3.677 -3.754 565 HA ASP 76 HA ASP 76 11.609 2.596 -6.437 566 HB2 ASP 76 1HB ASP 76 14.168 2.738 -4.814 567 HB3 ASP 76 2HB ASP 76 14.066 2.044 -6.432 568 H ALA 77 H ALA 77 11.270 1.506 -3.324 569 HA ALA 77 HA ALA 77 12.282 -1.206 -3.640 570 HB1 ALA 77 3HB ALA 77 12.169 -0.460 -1.402 571 HB2 ALA 77 1HB ALA 77 10.806 -1.572 -1.544 572 HB3 ALA 77 2HB ALA 77 10.534 0.170 -1.603 573 H GLN 78 H GLN 78 10.935 -3.121 -3.745 574 HA GLN 78 HA GLN 78 8.654 -2.774 -5.569 575 HB2 GLN 78 1HB GLN 78 10.054 -5.219 -4.467 576 HB3 GLN 78 2HB GLN 78 8.680 -5.296 -5.571 577 HG2 GLN 78 1HG GLN 78 9.918 -4.008 -7.245 578 HG3 GLN 78 2HG GLN 78 11.284 -3.852 -6.139 579 HE21 GLN 78 2HE2 GLN 78 10.218 -5.656 -8.736 580 HE22 GLN 78 1HE2 GLN 78 11.097 -7.082 -8.458 581 H LEU 79 H LEU 79 6.607 -3.935 -5.160 582 HA LEU 79 HA LEU 79 5.453 -3.228 -2.648 583 HB2 LEU 79 1HB LEU 79 4.095 -3.443 -4.666 584 HB3 LEU 79 2HB LEU 79 4.499 -5.152 -4.792 585 HG LEU 79 HG LEU 79 3.316 -5.631 -2.710 586 HD11 LEU 79 1HD1 LEU 79 3.605 -3.753 -1.323 587 HD12 LEU 79 2HD1 LEU 79 1.907 -3.628 -1.778 588 HD13 LEU 79 3HD1 LEU 79 3.113 -2.623 -2.583 589 HD21 LEU 79 3HD2 LEU 79 2.098 -5.388 -4.953 590 HD22 LEU 79 1HD2 LEU 79 1.548 -3.818 -4.367 591 HD23 LEU 79 2HD2 LEU 79 1.091 -5.288 -3.509 592 H GLY 80 H GLY 80 6.606 -6.363 -3.907 593 HA2 GLY 80 1HA GLY 80 5.817 -7.795 -1.503 594 HA3 GLY 80 2HA GLY 80 6.854 -8.425 -2.781 595 H TYR 81 H TYR 81 8.271 -5.585 -2.064 596 HA TYR 81 HA TYR 81 10.483 -6.779 -0.698 597 HB2 TYR 81 1HB TYR 81 10.630 -4.674 -2.038 598 HB3 TYR 81 2HB TYR 81 9.723 -3.843 -0.773 599 HD1 TYR 81 HD1 TYR 81 10.713 -3.452 1.445 600 HD2 TYR 81 HD2 TYR 81 12.924 -5.391 -1.682 601 HE1 TYR 81 HE1 TYR 81 12.813 -3.106 2.717 602 HE2 TYR 81 HE2 TYR 81 15.025 -5.049 -0.410 603 HH TYR 81 HH TYR 81 15.716 -4.685 1.932 604 H TYR 82 H TYR 82 7.772 -4.784 0.473 605 HA TYR 82 HA TYR 82 8.612 -5.326 3.290 606 HB2 TYR 82 1HB TYR 82 6.560 -3.414 2.137 607 HB3 TYR 82 2HB TYR 82 6.922 -3.590 3.852 608 HD1 TYR 82 HD2 TYR 82 9.342 -3.223 4.619 609 HD2 TYR 82 HD1 TYR 82 7.875 -2.001 0.770 610 HE1 TYR 82 HE2 TYR 82 11.254 -1.662 4.388 611 HE2 TYR 82 HE1 TYR 82 9.789 -0.440 0.540 612 HH TYR 82 HH TYR 82 11.598 0.620 2.967 613 H ALA 83 H ALA 83 5.754 -5.516 1.152 614 HA ALA 83 HA ALA 83 4.349 -7.169 3.179 615 HB1 ALA 83 3HB ALA 83 2.954 -5.533 2.126 616 HB2 ALA 83 1HB ALA 83 2.496 -7.087 1.429 617 HB3 ALA 83 2HB ALA 83 3.526 -5.982 0.520 618 H ASN 84 H ASN 84 5.723 -9.039 3.035 619 HA ASN 84 HA ASN 84 5.685 -10.505 0.429 620 HB2 ASN 84 1HB ASN 84 7.218 -11.262 2.928 621 HB3 ASN 84 2HB ASN 84 7.505 -11.797 1.272 622 HD21 ASN 84 2HD2 ASN 84 9.653 -10.929 1.064 623 HD22 ASN 84 1HD2 ASN 84 9.971 -9.262 1.096 624 H SER 85 H SER 85 3.674 -10.204 2.920 625 HA SER 85 HA SER 85 2.832 -13.074 2.820 626 HB2 SER 85 1HB SER 85 4.041 -12.504 4.987 627 HB3 SER 85 2HB SER 85 2.722 -11.392 5.334 628 HG SER 85 HG SER 85 1.900 -13.165 6.164 629 H ASP 86 H ASP 86 0.586 -13.367 2.872 630 HA ASP 86 HA ASP 86 -0.991 -11.056 2.018 631 HB2 ASP 86 1HB ASP 86 -1.776 -13.942 2.516 632 HB3 ASP 86 2HB ASP 86 -2.814 -12.724 1.773 633 H GLY 87 H GLY 87 -3.187 -10.679 3.018 634 HA2 GLY 87 1HA GLY 87 -4.641 -10.551 4.915 635 HA3 GLY 87 2HA GLY 87 -3.400 -11.328 5.900 636 H LEU 88 H LEU 88 -1.648 -9.169 4.310 637 HA LEU 88 HA LEU 88 -1.570 -7.305 6.553 638 HB2 LEU 88 1HB LEU 88 -0.159 -7.168 3.873 639 HB3 LEU 88 2HB LEU 88 0.262 -6.255 5.321 640 HG LEU 88 HG LEU 88 0.324 -9.277 5.070 641 HD11 LEU 88 1HD1 LEU 88 2.085 -7.931 3.813 642 HD12 LEU 88 2HD1 LEU 88 2.707 -9.079 4.999 643 HD13 LEU 88 3HD1 LEU 88 2.641 -7.360 5.386 644 HD21 LEU 88 3HD2 LEU 88 1.680 -8.898 7.290 645 HD22 LEU 88 1HD2 LEU 88 -0.081 -8.874 7.352 646 HD23 LEU 88 2HD2 LEU 88 0.822 -7.359 7.347 647 H ARG 89 H ARG 89 -1.841 -4.972 6.299 648 HA ARG 89 HA ARG 89 -3.685 -4.182 4.065 649 HB2 ARG 89 1HB ARG 89 -5.068 -2.953 5.618 650 HB3 ARG 89 2HB ARG 89 -4.916 -4.596 6.235 651 HG2 ARG 89 1HG ARG 89 -2.998 -3.770 7.671 652 HG3 ARG 89 2HG ARG 89 -3.438 -2.132 7.187 653 HD2 ARG 89 1HD ARG 89 -5.315 -4.096 8.520 654 HD3 ARG 89 2HD ARG 89 -4.486 -2.779 9.344 655 HE ARG 89 HE ARG 89 -6.758 -2.504 7.486 656 HH11 ARG 89 1HH2 ARG 89 -4.140 -1.046 9.208 657 HH12 ARG 89 2HH2 ARG 89 -4.811 0.548 9.132 658 HH21 ARG 89 1HH1 ARG 89 -7.635 -0.429 7.377 659 HH22 ARG 89 2HH1 ARG 89 -6.784 0.898 8.096 660 H LEU 90 H LEU 90 -3.349 -2.102 3.294 661 HA LEU 90 HA LEU 90 -0.917 -0.696 4.337 662 HB2 LEU 90 1HB LEU 90 -2.260 -0.481 1.625 663 HB3 LEU 90 2HB LEU 90 -0.745 0.287 2.101 664 HG LEU 90 HG LEU 90 -1.241 -2.705 2.011 665 HD11 LEU 90 1HD1 LEU 90 -1.125 -1.592 -0.222 666 HD12 LEU 90 2HD1 LEU 90 0.218 -2.699 0.062 667 HD13 LEU 90 3HD1 LEU 90 0.464 -0.959 0.211 668 HD21 LEU 90 3HD2 LEU 90 1.394 -2.579 2.176 669 HD22 LEU 90 1HD2 LEU 90 0.423 -2.444 3.640 670 HD23 LEU 90 2HD2 LEU 90 1.084 -0.993 2.884 671 H HIS 91 H HIS 91 -1.232 1.191 5.344 672 HA HIS 91 HA HIS 91 -3.918 2.469 5.212 673 HB2 HIS 91 1HB HIS 91 -2.907 1.937 7.436 674 HB3 HIS 91 2HB HIS 91 -1.585 3.042 7.062 675 HD1 HIS 91 HD1 HIS 91 -5.397 3.132 7.221 676 HD2 HIS 91 HD2 HIS 91 -2.123 5.643 7.809 677 HE1 HIS 91 HE1 HIS 91 -6.326 5.336 8.052 678 H VAL 92 H VAL 92 -4.195 4.311 4.069 679 HA VAL 92 HA VAL 92 -1.774 5.720 3.011 680 HB VAL 92 HB VAL 92 -4.662 5.648 2.091 681 HG11 VAL 92 1HG1 VAL 92 -3.960 7.879 1.664 682 HG12 VAL 92 2HG1 VAL 92 -3.681 7.024 0.147 683 HG13 VAL 92 3HG1 VAL 92 -2.330 7.364 1.230 684 HG21 VAL 92 3HG2 VAL 92 -3.187 3.696 1.545 685 HG22 VAL 92 1HG2 VAL 92 -2.089 4.805 0.724 686 HG23 VAL 92 2HG2 VAL 92 -3.727 4.574 0.114 687 H VAL 93 H VAL 93 -1.348 7.751 3.716 688 HA VAL 93 HA VAL 93 -3.424 9.149 5.381 689 HB VAL 93 HB VAL 93 -0.399 9.346 5.511 690 HG11 VAL 93 1HG1 VAL 93 -1.005 10.581 7.672 691 HG12 VAL 93 2HG1 VAL 93 -2.648 10.674 7.037 692 HG13 VAL 93 3HG1 VAL 93 -1.322 11.446 6.168 693 HG21 VAL 93 3HG2 VAL 93 -1.048 7.232 6.425 694 HG22 VAL 93 1HG2 VAL 93 -2.463 7.929 7.213 695 HG23 VAL 93 2HG2 VAL 93 -0.847 8.307 7.809 696 H ASP 94 H ASP 94 -4.095 11.081 4.635 697 HA ASP 94 HA ASP 94 -2.458 12.489 2.547 698 HB2 ASP 94 1HB ASP 94 -4.437 11.400 1.542 699 HB3 ASP 94 2HB ASP 94 -5.479 12.251 2.682 700 H SER 95 H SER 95 -1.670 14.224 3.619 701 HA SER 95 HA SER 95 -3.393 16.339 4.482 702 HB2 SER 95 1HB SER 95 -2.647 16.254 6.938 703 HB3 SER 95 2HB SER 95 -3.884 15.100 6.453 704 HG SER 95 HG SER 95 -1.303 14.694 7.283 Start of MODEL 18 1 H1 MET 1 1H MET 1 -0.682 -16.833 -26.474 2 H2 MET 1 2H MET 1 -0.119 -18.264 -25.753 3 H3 MET 1 3H MET 1 0.322 -16.756 -25.108 4 HA MET 1 HA MET 1 -1.323 -17.367 -23.655 5 HB2 MET 1 1HB MET 1 -2.646 -15.913 -25.961 6 HB3 MET 1 2HB MET 1 -3.405 -16.136 -24.384 7 HG2 MET 1 1HG MET 1 -1.498 -14.986 -23.308 8 HG3 MET 1 2HG MET 1 -0.756 -14.745 -24.889 9 HE1 MET 1 3HE MET 1 -0.567 -12.236 -24.847 10 HE2 MET 1 1HE MET 1 -1.036 -12.366 -23.146 11 HE3 MET 1 2HE MET 1 -1.788 -11.156 -24.181 12 H GLY 2 H GLY 2 -2.589 -19.065 -23.099 13 HA2 GLY 2 1HA GLY 2 -4.717 -20.322 -23.969 14 HA3 GLY 2 2HA GLY 2 -3.640 -20.822 -25.277 15 H HIS 3 H HIS 3 -1.893 -20.426 -22.441 16 HA HIS 3 HA HIS 3 -1.485 -23.306 -22.214 17 HB2 HIS 3 1HB HIS 3 -0.390 -20.973 -20.619 18 HB3 HIS 3 2HB HIS 3 0.115 -22.650 -20.408 19 HD1 HIS 3 HD1 HIS 3 1.238 -23.811 -22.544 20 HD2 HIS 3 HD2 HIS 3 0.811 -19.671 -22.782 21 HE1 HIS 3 HE1 HIS 3 2.735 -23.044 -24.438 22 H HIS 4 H HIS 4 -2.502 -24.647 -20.820 23 HA HIS 4 HA HIS 4 -4.428 -23.509 -18.875 24 HB2 HIS 4 1HB HIS 4 -5.299 -25.773 -18.726 25 HB3 HIS 4 2HB HIS 4 -5.065 -25.385 -20.431 26 HD1 HIS 4 HD1 HIS 4 -3.513 -27.375 -17.617 27 HD2 HIS 4 HD2 HIS 4 -3.120 -26.942 -21.744 28 HE1 HIS 4 HE1 HIS 4 -1.966 -29.227 -18.387 29 H HIS 5 H HIS 5 -1.245 -24.052 -18.817 30 HA HIS 5 HA HIS 5 0.339 -24.718 -17.205 31 HB2 HIS 5 1HB HIS 5 -1.790 -23.439 -15.469 32 HB3 HIS 5 2HB HIS 5 -0.113 -23.712 -14.994 33 HD1 HIS 5 HD1 HIS 5 -2.272 -21.492 -17.054 34 HD2 HIS 5 HD2 HIS 5 1.800 -22.067 -16.378 35 HE1 HIS 5 HE1 HIS 5 -1.094 -19.474 -18.028 36 H HIS 6 H HIS 6 -0.882 -25.159 -14.331 37 HA HIS 6 HA HIS 6 -2.126 -27.805 -14.669 38 HB2 HIS 6 1HB HIS 6 -0.410 -28.958 -13.314 39 HB3 HIS 6 2HB HIS 6 0.264 -28.341 -14.821 40 HD1 HIS 6 HD1 HIS 6 1.620 -26.018 -14.613 41 HD2 HIS 6 HD2 HIS 6 0.824 -27.980 -11.022 42 HE1 HIS 6 HE1 HIS 6 3.199 -25.034 -12.893 43 H HIS 7 H HIS 7 -2.682 -28.735 -12.465 44 HA HIS 7 HA HIS 7 -4.174 -26.901 -10.956 45 HB2 HIS 7 1HB HIS 7 -4.598 -29.282 -10.816 46 HB3 HIS 7 2HB HIS 7 -3.000 -29.568 -10.125 47 HD1 HIS 7 HD1 HIS 7 -6.231 -27.733 -9.301 48 HD2 HIS 7 HD2 HIS 7 -2.910 -29.337 -7.359 49 HE1 HIS 7 HE1 HIS 7 -6.689 -27.535 -6.818 50 H HIS 8 H HIS 8 -3.835 -25.879 -8.950 51 HA HIS 8 HA HIS 8 -1.206 -24.814 -8.501 52 HB2 HIS 8 1HB HIS 8 -3.685 -24.804 -6.749 53 HB3 HIS 8 2HB HIS 8 -2.253 -23.811 -6.473 54 HD1 HIS 8 HD1 HIS 8 -5.459 -23.638 -8.052 55 HD2 HIS 8 HD2 HIS 8 -1.665 -22.212 -9.027 56 HE1 HIS 8 HE1 HIS 8 -5.802 -21.798 -9.758 57 H SER 9 H SER 9 0.389 -25.467 -7.083 58 HA SER 9 HA SER 9 -0.232 -27.486 -5.001 59 HB2 SER 9 1HB SER 9 1.786 -27.906 -7.227 60 HB3 SER 9 2HB SER 9 1.724 -28.880 -5.761 61 HG SER 9 HG SER 9 0.491 -29.919 -7.277 62 H HIS 10 H HIS 10 0.371 -26.046 -3.376 63 HA HIS 10 HA HIS 10 1.784 -24.717 -2.059 64 HB2 HIS 10 1HB HIS 10 2.983 -26.895 -1.941 65 HB3 HIS 10 2HB HIS 10 3.918 -26.438 -3.362 66 HD1 HIS 10 HD1 HIS 10 3.240 -25.218 0.180 67 HD2 HIS 10 HD2 HIS 10 6.154 -24.884 -2.783 68 HE1 HIS 10 HE1 HIS 10 5.176 -23.958 1.218 69 H GLY 11 H GLY 11 1.503 -24.280 -5.227 70 HA2 GLY 11 1HA GLY 11 3.867 -22.613 -5.741 71 HA3 GLY 11 2HA GLY 11 2.496 -22.833 -6.829 72 H LYS 12 H LYS 12 4.009 -20.507 -5.153 73 HA LYS 12 HA LYS 12 1.663 -19.151 -4.009 74 HB2 LYS 12 1HB LYS 12 3.902 -18.987 -2.954 75 HB3 LYS 12 2HB LYS 12 4.504 -18.176 -4.399 76 HG2 LYS 12 1HG LYS 12 2.953 -16.333 -4.076 77 HG3 LYS 12 2HG LYS 12 2.189 -17.169 -2.726 78 HD2 LYS 12 1HD LYS 12 3.680 -15.612 -1.719 79 HD3 LYS 12 2HD LYS 12 4.492 -17.171 -1.605 80 HE2 LYS 12 1HE LYS 12 5.947 -16.651 -3.437 81 HE3 LYS 12 2HE LYS 12 4.991 -15.237 -3.884 82 HZ1 LYS 12 3HZ LYS 12 5.606 -14.750 -1.305 83 HZ2 LYS 12 1HZ LYS 12 6.449 -14.126 -2.636 84 HZ3 LYS 12 2HZ LYS 12 7.014 -15.526 -1.856 85 H SER 13 H SER 13 0.478 -17.593 -5.033 86 HA SER 13 HA SER 13 0.921 -17.141 -7.879 87 HB2 SER 13 1HB SER 13 -1.133 -16.223 -5.877 88 HB3 SER 13 2HB SER 13 -1.095 -15.552 -7.506 89 HG SER 13 HG SER 13 -1.494 -17.539 -8.334 90 H ASP 14 H ASP 14 1.247 -15.051 -8.852 91 HA ASP 14 HA ASP 14 3.170 -13.397 -7.442 92 HB2 ASP 14 1HB ASP 14 3.202 -13.857 -9.916 93 HB3 ASP 14 2HB ASP 14 1.763 -12.851 -10.068 94 H PHE 15 H PHE 15 -0.149 -13.530 -7.316 95 HA PHE 15 HA PHE 15 -0.428 -10.591 -6.745 96 HB2 PHE 15 1HB PHE 15 -2.556 -12.652 -7.419 97 HB3 PHE 15 2HB PHE 15 -2.841 -10.938 -7.117 98 HD1 PHE 15 HD2 PHE 15 -1.512 -9.248 -8.586 99 HD2 PHE 15 HD1 PHE 15 -2.070 -13.385 -9.599 100 HE1 PHE 15 HE2 PHE 15 -1.005 -8.737 -10.958 101 HE2 PHE 15 HE1 PHE 15 -1.561 -12.874 -11.967 102 HZ PHE 15 HZ PHE 15 -1.024 -10.550 -12.650 103 H ILE 16 H ILE 16 -1.284 -9.982 -4.745 104 HA ILE 16 HA ILE 16 -1.827 -12.177 -2.768 105 HB ILE 16 HB ILE 16 -0.792 -10.715 -1.051 106 HG12 ILE 16 1HG1 ILE 16 0.157 -9.039 -3.398 107 HG13 ILE 16 2HG1 ILE 16 -1.179 -8.564 -2.349 108 HG21 ILE 16 1HG2 ILE 16 0.847 -11.519 -3.463 109 HG22 ILE 16 2HG2 ILE 16 0.614 -12.415 -1.962 110 HG23 ILE 16 3HG2 ILE 16 1.585 -10.944 -1.967 111 HD11 ILE 16 3HD1 ILE 16 0.312 -8.640 -0.394 112 HD12 ILE 16 1HD1 ILE 16 0.939 -7.531 -1.613 113 HD13 ILE 16 2HD1 ILE 16 1.653 -9.134 -1.429 114 H LYS 17 H LYS 17 -3.356 -11.619 -1.102 115 HA LYS 17 HA LYS 17 -5.288 -9.503 -1.971 116 HB2 LYS 17 1HB LYS 17 -5.614 -11.968 -0.239 117 HB3 LYS 17 2HB LYS 17 -6.885 -10.775 -0.504 118 HG2 LYS 17 1HG LYS 17 -6.671 -11.162 -2.965 119 HG3 LYS 17 2HG LYS 17 -5.511 -12.448 -2.627 120 HD2 LYS 17 1HD LYS 17 -8.363 -12.361 -1.599 121 HD3 LYS 17 2HD LYS 17 -7.806 -13.337 -2.958 122 HE2 LYS 17 1HE LYS 17 -7.651 -14.895 -1.238 123 HE3 LYS 17 2HE LYS 17 -6.029 -14.206 -1.166 124 HZ1 LYS 17 3HZ LYS 17 -7.688 -12.571 0.348 125 HZ2 LYS 17 1HZ LYS 17 -6.459 -13.598 0.904 126 HZ3 LYS 17 2HZ LYS 17 -8.055 -14.169 0.791 127 H VAL 18 H VAL 18 -5.149 -7.653 -0.817 128 HA VAL 18 HA VAL 18 -4.696 -7.825 2.134 129 HB VAL 18 HB VAL 18 -3.234 -5.810 1.981 130 HG11 VAL 18 1HG1 VAL 18 -2.237 -8.118 0.286 131 HG12 VAL 18 2HG1 VAL 18 -2.328 -8.155 2.046 132 HG13 VAL 18 3HG1 VAL 18 -1.257 -7.008 1.243 133 HG21 VAL 18 3HG2 VAL 18 -3.548 -6.348 -0.987 134 HG22 VAL 18 1HG2 VAL 18 -2.261 -5.347 -0.318 135 HG23 VAL 18 2HG2 VAL 18 -3.946 -4.865 -0.120 136 H ASN 19 H ASN 19 -5.403 -5.799 3.225 137 HA ASN 19 HA ASN 19 -7.828 -4.699 1.872 138 HB2 ASN 19 1HB ASN 19 -6.947 -4.757 4.775 139 HB3 ASN 19 2HB ASN 19 -8.422 -3.978 4.202 140 HD21 ASN 19 2HD2 ASN 19 -7.482 -6.751 5.668 141 HD22 ASN 19 1HD2 ASN 19 -8.614 -7.838 5.022 142 H VAL 20 H VAL 20 -8.091 -2.443 1.648 143 HA VAL 20 HA VAL 20 -5.734 -0.738 2.420 144 HB VAL 20 HB VAL 20 -7.355 -0.708 -0.125 145 HG11 VAL 20 1HG1 VAL 20 -7.108 1.589 0.414 146 HG12 VAL 20 2HG1 VAL 20 -5.776 1.241 -0.689 147 HG13 VAL 20 3HG1 VAL 20 -5.482 1.339 1.047 148 HG21 VAL 20 3HG2 VAL 20 -4.369 -0.863 0.255 149 HG22 VAL 20 1HG2 VAL 20 -5.288 -1.189 -1.214 150 HG23 VAL 20 2HG2 VAL 20 -5.389 -2.298 0.154 151 H SER 21 H SER 21 -6.248 1.118 3.466 152 HA SER 21 HA SER 21 -9.105 2.018 3.514 153 HB2 SER 21 1HB SER 21 -8.858 0.839 5.579 154 HB3 SER 21 2HB SER 21 -7.247 1.500 5.847 155 HG SER 21 HG SER 21 -9.674 2.533 6.463 156 H ASN 22 H ASN 22 -9.122 4.293 4.661 157 HA ASN 22 HA ASN 22 -6.636 5.827 4.154 158 HB2 ASN 22 1HB ASN 22 -8.169 7.555 2.920 159 HB3 ASN 22 2HB ASN 22 -7.565 6.159 2.030 160 HD21 ASN 22 2HD2 ASN 22 -9.476 6.296 0.595 161 HD22 ASN 22 1HD2 ASN 22 -10.988 5.740 1.127 162 H SER 23 H SER 23 -6.804 8.048 5.027 163 HA SER 23 HA SER 23 -8.329 8.030 7.551 164 HB2 SER 23 1HB SER 23 -6.341 10.025 6.435 165 HB3 SER 23 2HB SER 23 -6.974 10.017 8.080 166 HG SER 23 HG SER 23 -6.039 7.945 8.335 167 H HIS 24 H HIS 24 -7.682 10.794 5.403 168 HA HIS 24 HA HIS 24 -10.085 12.152 6.064 169 HB2 HIS 24 1HB HIS 24 -8.251 12.360 3.665 170 HB3 HIS 24 2HB HIS 24 -9.603 13.460 3.940 171 HD1 HIS 24 HD1 HIS 24 -6.428 12.277 5.678 172 HD2 HIS 24 HD2 HIS 24 -9.021 15.542 5.685 173 HE1 HIS 24 HE1 HIS 24 -5.381 14.021 7.188 174 H ASN 25 H ASN 25 -9.318 10.146 3.200 175 HA ASN 25 HA ASN 25 -11.991 10.431 2.108 176 HB2 ASN 25 1HB ASN 25 -10.011 9.985 0.695 177 HB3 ASN 25 2HB ASN 25 -9.828 8.409 1.463 178 HD21 ASN 25 2HD2 ASN 25 -10.165 8.122 -1.169 179 HD22 ASN 25 1HD2 ASN 25 -11.757 7.709 -1.590 180 H ASP 26 H ASP 26 -13.689 8.943 2.164 181 HA ASP 26 HA ASP 26 -13.570 6.933 4.361 182 HB2 ASP 26 1HB ASP 26 -15.427 8.644 4.235 183 HB3 ASP 26 2HB ASP 26 -15.963 7.862 2.749 184 H ALA 27 H ALA 27 -12.930 6.986 1.136 185 HA ALA 27 HA ALA 27 -14.439 4.720 0.181 186 HB1 ALA 27 3HB ALA 27 -11.729 5.600 -0.843 187 HB2 ALA 27 1HB ALA 27 -13.211 6.483 -1.218 188 HB3 ALA 27 2HB ALA 27 -13.026 4.810 -1.739 189 H VAL 28 H VAL 28 -14.056 2.560 0.511 190 HA VAL 28 HA VAL 28 -11.362 1.746 1.557 191 HB VAL 28 HB VAL 28 -14.081 0.910 2.605 192 HG11 VAL 28 1HG1 VAL 28 -12.613 -0.503 4.180 193 HG12 VAL 28 2HG1 VAL 28 -11.330 -0.286 2.989 194 HG13 VAL 28 3HG1 VAL 28 -12.822 -1.112 2.538 195 HG21 VAL 28 3HG2 VAL 28 -11.672 2.032 4.054 196 HG22 VAL 28 1HG2 VAL 28 -13.322 1.888 4.658 197 HG23 VAL 28 2HG2 VAL 28 -12.945 3.059 3.393 198 H ALA 29 H ALA 29 -10.519 -0.011 0.580 199 HA ALA 29 HA ALA 29 -12.226 -1.464 -1.423 200 HB1 ALA 29 3HB ALA 29 -10.406 -0.377 -2.539 201 HB2 ALA 29 1HB ALA 29 -9.930 -2.056 -2.395 202 HB3 ALA 29 2HB ALA 29 -9.275 -0.858 -1.297 203 H PHE 30 H PHE 30 -12.337 -3.702 -1.285 204 HA PHE 30 HA PHE 30 -10.876 -5.006 0.999 205 HB2 PHE 30 1HB PHE 30 -13.649 -5.493 -0.117 206 HB3 PHE 30 2HB PHE 30 -12.834 -6.631 0.956 207 HD1 PHE 30 HD1 PHE 30 -11.882 -5.690 3.177 208 HD2 PHE 30 HD2 PHE 30 -14.839 -3.676 0.802 209 HE1 PHE 30 HE1 PHE 30 -12.544 -4.339 5.148 210 HE2 PHE 30 HE2 PHE 30 -15.503 -2.326 2.773 211 HZ PHE 30 HZ PHE 30 -14.355 -2.657 4.946 212 H GLU 31 H GLU 31 -9.983 -7.037 0.659 213 HA GLU 31 HA GLU 31 -8.687 -8.500 -0.659 214 HB2 GLU 31 1HB GLU 31 -11.497 -8.818 -1.739 215 HB3 GLU 31 2HB GLU 31 -10.171 -9.917 -2.130 216 HG2 GLU 31 1HG GLU 31 -9.845 -10.420 0.241 217 HG3 GLU 31 2HG GLU 31 -11.106 -9.267 0.680 218 H VAL 32 H VAL 32 -7.696 -6.407 -1.629 219 HA VAL 32 HA VAL 32 -8.401 -6.095 -4.517 220 HB VAL 32 HB VAL 32 -8.187 -4.075 -3.010 221 HG11 VAL 32 1HG1 VAL 32 -6.126 -5.122 -1.826 222 HG12 VAL 32 2HG1 VAL 32 -6.095 -3.393 -2.167 223 HG13 VAL 32 3HG1 VAL 32 -5.207 -4.510 -3.203 224 HG21 VAL 32 3HG2 VAL 32 -6.213 -4.239 -5.307 225 HG22 VAL 32 1HG2 VAL 32 -6.973 -2.774 -4.684 226 HG23 VAL 32 2HG2 VAL 32 -7.951 -3.999 -5.490 227 H LYS 33 H LYS 33 -7.179 -7.138 -5.991 228 HA LYS 33 HA LYS 33 -4.781 -8.581 -5.179 229 HB2 LYS 33 1HB LYS 33 -6.239 -8.222 -7.801 230 HB3 LYS 33 2HB LYS 33 -4.722 -9.117 -7.695 231 HG2 LYS 33 1HG LYS 33 -5.725 -10.601 -5.994 232 HG3 LYS 33 2HG LYS 33 -7.245 -9.718 -6.124 233 HD2 LYS 33 1HD LYS 33 -7.499 -10.366 -8.442 234 HD3 LYS 33 2HD LYS 33 -5.894 -11.098 -8.458 235 HE2 LYS 33 1HE LYS 33 -7.397 -12.916 -8.175 236 HE3 LYS 33 2HE LYS 33 -6.739 -12.615 -6.568 237 HZ1 LYS 33 3HZ LYS 33 -9.223 -11.287 -7.443 238 HZ2 LYS 33 1HZ LYS 33 -8.682 -11.604 -5.867 239 HZ3 LYS 33 2HZ LYS 33 -9.264 -12.874 -6.835 240 H LEU 34 H LEU 34 -2.699 -7.907 -5.382 241 HA LEU 34 HA LEU 34 -2.066 -5.662 -7.241 242 HB2 LEU 34 1HB LEU 34 -1.336 -5.800 -4.301 243 HB3 LEU 34 2HB LEU 34 -0.622 -4.660 -5.440 244 HG LEU 34 HG LEU 34 -3.599 -4.883 -4.892 245 HD11 LEU 34 1HD1 LEU 34 -3.307 -2.787 -3.608 246 HD12 LEU 34 2HD1 LEU 34 -1.563 -2.898 -3.840 247 HD13 LEU 34 3HD1 LEU 34 -2.405 -4.122 -2.889 248 HD21 LEU 34 3HD2 LEU 34 -3.439 -3.852 -6.988 249 HD22 LEU 34 1HD2 LEU 34 -1.883 -3.106 -6.622 250 HD23 LEU 34 2HD2 LEU 34 -3.363 -2.451 -5.923 251 H ALA 35 H ALA 35 -0.368 -6.231 -8.468 252 HA ALA 35 HA ALA 35 1.023 -8.699 -8.087 253 HB1 ALA 35 3HB ALA 35 1.195 -6.375 -9.935 254 HB2 ALA 35 1HB ALA 35 1.148 -8.095 -10.306 255 HB3 ALA 35 2HB ALA 35 2.662 -7.346 -9.796 256 H LYS 36 H LYS 36 2.970 -9.147 -7.122 257 HA LYS 36 HA LYS 36 3.995 -7.250 -5.172 258 HB2 LYS 36 1HB LYS 36 4.976 -9.970 -6.089 259 HB3 LYS 36 2HB LYS 36 5.648 -9.074 -4.727 260 HG2 LYS 36 1HG LYS 36 3.470 -9.098 -3.599 261 HG3 LYS 36 2HG LYS 36 2.745 -9.910 -4.984 262 HD2 LYS 36 1HD LYS 36 3.183 -11.686 -3.502 263 HD3 LYS 36 2HD LYS 36 4.558 -11.734 -4.601 264 HE2 LYS 36 1HE LYS 36 5.957 -10.571 -3.000 265 HE3 LYS 36 2HE LYS 36 4.578 -10.279 -1.940 266 HZ1 LYS 36 3HZ LYS 36 4.629 -12.365 -1.156 267 HZ2 LYS 36 1HZ LYS 36 6.243 -12.340 -1.676 268 HZ3 LYS 36 2HZ LYS 36 5.048 -13.049 -2.653 269 H ASP 37 H ASP 37 4.628 -7.898 -8.466 270 HA ASP 37 HA ASP 37 7.428 -7.052 -8.432 271 HB2 ASP 37 1HB ASP 37 6.500 -8.638 -10.130 272 HB3 ASP 37 2HB ASP 37 5.501 -7.333 -10.763 273 H LEU 38 H LEU 38 4.604 -5.417 -7.945 274 HA LEU 38 HA LEU 38 5.055 -3.098 -9.640 275 HB2 LEU 38 1HB LEU 38 3.292 -3.550 -7.223 276 HB3 LEU 38 2HB LEU 38 3.301 -2.055 -8.156 277 HG LEU 38 HG LEU 38 2.790 -4.780 -9.375 278 HD11 LEU 38 1HD1 LEU 38 1.053 -4.260 -7.715 279 HD12 LEU 38 2HD1 LEU 38 0.400 -4.148 -9.350 280 HD13 LEU 38 3HD1 LEU 38 0.806 -2.680 -8.459 281 HD21 LEU 38 3HD2 LEU 38 1.623 -3.155 -11.091 282 HD22 LEU 38 1HD2 LEU 38 3.372 -3.348 -11.147 283 HD23 LEU 38 2HD2 LEU 38 2.666 -1.932 -10.370 284 H THR 39 H THR 39 5.949 -1.126 -9.087 285 HA THR 39 HA THR 39 7.825 -1.164 -6.816 286 HB THR 39 HB THR 39 8.659 0.937 -7.808 287 HG1 THR 39 HG1 THR 39 7.259 2.009 -8.925 288 HG21 THR 39 3HG2 THR 39 9.623 -1.072 -8.684 289 HG22 THR 39 1HG2 THR 39 9.264 -0.044 -10.072 290 HG23 THR 39 2HG2 THR 39 8.201 -1.395 -9.677 291 H VAL 40 H VAL 40 7.957 0.812 -5.417 292 HA VAL 40 HA VAL 40 5.452 1.352 -4.140 293 HB VAL 40 HB VAL 40 8.183 2.639 -3.962 294 HG11 VAL 40 1HG1 VAL 40 7.237 3.613 -1.787 295 HG12 VAL 40 2HG1 VAL 40 5.641 3.261 -2.453 296 HG13 VAL 40 3HG1 VAL 40 6.718 4.382 -3.285 297 HG21 VAL 40 3HG2 VAL 40 6.633 0.847 -2.068 298 HG22 VAL 40 1HG2 VAL 40 8.277 1.439 -1.825 299 HG23 VAL 40 2HG2 VAL 40 7.930 0.311 -3.136 300 H ALA 41 H ALA 41 7.473 3.322 -6.338 301 HA ALA 41 HA ALA 41 5.873 5.668 -6.273 302 HB1 ALA 41 3HB ALA 41 8.038 5.792 -7.280 303 HB2 ALA 41 1HB ALA 41 6.882 6.067 -8.583 304 HB3 ALA 41 2HB ALA 41 7.661 4.494 -8.412 305 H GLN 42 H GLN 42 5.706 2.825 -8.417 306 HA GLN 42 HA GLN 42 3.513 3.805 -9.989 307 HB2 GLN 42 1HB GLN 42 4.515 1.005 -9.412 308 HB3 GLN 42 2HB GLN 42 3.214 1.350 -10.554 309 HG2 GLN 42 1HG GLN 42 4.720 2.803 -11.850 310 HG3 GLN 42 2HG GLN 42 6.020 2.496 -10.699 311 HE21 GLN 42 2HE2 GLN 42 7.465 1.165 -11.834 312 HE22 GLN 42 1HE2 GLN 42 7.023 -0.265 -12.637 313 H LEU 43 H LEU 43 3.727 1.959 -6.984 314 HA LEU 43 HA LEU 43 0.972 1.257 -6.774 315 HB2 LEU 43 1HB LEU 43 2.722 0.257 -5.356 316 HB3 LEU 43 2HB LEU 43 3.008 1.818 -4.591 317 HG LEU 43 HG LEU 43 0.728 1.827 -3.689 318 HD11 LEU 43 1HD1 LEU 43 0.475 -0.659 -5.374 319 HD12 LEU 43 2HD1 LEU 43 -0.646 0.691 -5.207 320 HD13 LEU 43 3HD1 LEU 43 -0.499 -0.494 -3.912 321 HD21 LEU 43 3HD2 LEU 43 1.942 -0.884 -3.132 322 HD22 LEU 43 1HD2 LEU 43 1.059 0.159 -2.018 323 HD23 LEU 43 2HD2 LEU 43 2.680 0.609 -2.551 324 H LYS 44 H LYS 44 2.783 4.121 -5.700 325 HA LYS 44 HA LYS 44 0.642 5.403 -4.324 326 HB2 LYS 44 1HB LYS 44 3.076 6.497 -5.753 327 HB3 LYS 44 2HB LYS 44 1.970 7.512 -4.827 328 HG2 LYS 44 1HG LYS 44 2.391 6.147 -2.815 329 HG3 LYS 44 2HG LYS 44 3.491 5.121 -3.738 330 HD2 LYS 44 1HD LYS 44 4.961 7.023 -4.171 331 HD3 LYS 44 2HD LYS 44 3.843 8.106 -3.344 332 HE2 LYS 44 1HE LYS 44 4.171 6.850 -1.246 333 HE3 LYS 44 2HE LYS 44 5.292 5.766 -2.071 334 HZ1 LYS 44 3HZ LYS 44 6.689 7.692 -2.578 335 HZ2 LYS 44 1HZ LYS 44 6.496 7.480 -0.906 336 HZ3 LYS 44 2HZ LYS 44 5.626 8.696 -1.712 337 H THR 45 H THR 45 1.632 5.491 -7.740 338 HA THR 45 HA THR 45 -0.170 7.525 -8.583 339 HB THR 45 HB THR 45 0.877 5.116 -10.102 340 HG1 THR 45 HG1 THR 45 2.480 6.505 -9.287 341 HG21 THR 45 3HG2 THR 45 -0.984 5.991 -11.319 342 HG22 THR 45 1HG2 THR 45 0.458 6.660 -12.083 343 HG23 THR 45 2HG2 THR 45 -0.503 7.655 -10.989 344 H LYS 46 H LYS 46 -0.583 3.970 -8.477 345 HA LYS 46 HA LYS 46 -3.231 3.948 -9.532 346 HB2 LYS 46 1HB LYS 46 -1.750 1.948 -9.271 347 HB3 LYS 46 2HB LYS 46 -2.003 2.035 -7.528 348 HG2 LYS 46 1HG LYS 46 -4.425 1.771 -7.857 349 HG3 LYS 46 2HG LYS 46 -4.184 1.685 -9.604 350 HD2 LYS 46 1HD LYS 46 -2.932 -0.216 -7.602 351 HD3 LYS 46 2HD LYS 46 -4.390 -0.569 -8.528 352 HE2 LYS 46 1HE LYS 46 -2.829 -1.528 -9.943 353 HE3 LYS 46 2HE LYS 46 -2.763 0.118 -10.576 354 HZ1 LYS 46 3HZ LYS 46 -0.782 -1.370 -9.135 355 HZ2 LYS 46 1HZ LYS 46 -1.057 0.160 -8.456 356 HZ3 LYS 46 2HZ LYS 46 -0.608 0.025 -10.089 357 H LEU 47 H LEU 47 -2.036 4.016 -6.175 358 HA LEU 47 HA LEU 47 -4.621 4.076 -4.946 359 HB2 LEU 47 1HB LEU 47 -1.917 5.073 -4.000 360 HB3 LEU 47 2HB LEU 47 -3.346 5.002 -2.972 361 HG LEU 47 HG LEU 47 -2.214 2.598 -4.438 362 HD11 LEU 47 1HD1 LEU 47 -0.614 3.555 -2.774 363 HD12 LEU 47 2HD1 LEU 47 -1.185 1.946 -2.332 364 HD13 LEU 47 3HD1 LEU 47 -1.849 3.369 -1.528 365 HD21 LEU 47 3HD2 LEU 47 -3.563 1.495 -2.445 366 HD22 LEU 47 1HD2 LEU 47 -4.421 2.035 -3.887 367 HD23 LEU 47 2HD2 LEU 47 -4.428 3.033 -2.433 368 H GLU 48 H GLU 48 -2.440 6.621 -6.097 369 HA GLU 48 HA GLU 48 -3.672 8.896 -5.038 370 HB2 GLU 48 1HB GLU 48 -1.607 8.823 -6.494 371 HB3 GLU 48 2HB GLU 48 -2.671 8.645 -7.888 372 HG2 GLU 48 1HG GLU 48 -3.803 10.771 -7.255 373 HG3 GLU 48 2HG GLU 48 -2.649 10.955 -5.932 374 H ILE 49 H ILE 49 -4.487 7.258 -8.121 375 HA ILE 49 HA ILE 49 -6.731 8.941 -8.698 376 HB ILE 49 HB ILE 49 -6.057 6.124 -9.598 377 HG12 ILE 49 1HG1 ILE 49 -5.864 8.770 -11.070 378 HG13 ILE 49 2HG1 ILE 49 -4.511 8.048 -10.198 379 HG21 ILE 49 1HG2 ILE 49 -8.409 6.353 -9.934 380 HG22 ILE 49 2HG2 ILE 49 -7.680 6.754 -11.489 381 HG23 ILE 49 3HG2 ILE 49 -8.249 8.039 -10.424 382 HD11 ILE 49 3HD1 ILE 49 -4.722 6.007 -11.588 383 HD12 ILE 49 1HD1 ILE 49 -4.400 7.436 -12.571 384 HD13 ILE 49 2HD1 ILE 49 -6.032 6.771 -12.488 385 H LEU 50 H LEU 50 -6.500 5.776 -7.057 386 HA LEU 50 HA LEU 50 -9.293 5.381 -6.735 387 HB2 LEU 50 1HB LEU 50 -7.672 3.583 -6.362 388 HB3 LEU 50 2HB LEU 50 -7.002 4.446 -4.980 389 HG LEU 50 HG LEU 50 -9.131 4.243 -3.781 390 HD11 LEU 50 1HD1 LEU 50 -10.062 3.099 -6.412 391 HD12 LEU 50 2HD1 LEU 50 -10.841 4.305 -5.390 392 HD13 LEU 50 3HD1 LEU 50 -10.848 2.611 -4.909 393 HD21 LEU 50 3HD2 LEU 50 -9.212 1.698 -3.675 394 HD22 LEU 50 1HD2 LEU 50 -7.622 2.420 -3.429 395 HD23 LEU 50 2HD2 LEU 50 -8.031 1.693 -4.985 396 H THR 51 H THR 51 -6.938 7.043 -4.630 397 HA THR 51 HA THR 51 -9.122 7.760 -2.754 398 HB THR 51 HB THR 51 -7.185 8.918 -1.546 399 HG1 THR 51 HG1 THR 51 -5.121 8.070 -2.285 400 HG21 THR 51 3HG2 THR 51 -6.997 5.943 -2.108 401 HG22 THR 51 1HG2 THR 51 -7.992 6.704 -0.866 402 HG23 THR 51 2HG2 THR 51 -6.233 6.766 -0.748 403 H GLY 52 H GLY 52 -7.617 8.990 -5.551 404 HA2 GLY 52 1HA GLY 52 -7.939 11.013 -6.690 405 HA3 GLY 52 2HA GLY 52 -9.217 11.377 -5.528 406 H GLY 53 H GLY 53 -6.784 10.752 -3.532 407 HA2 GLY 53 1HA GLY 53 -6.288 13.533 -2.950 408 HA3 GLY 53 2HA GLY 53 -5.508 12.168 -2.161 409 H CYS 54 H CYS 54 -3.858 14.178 -2.549 410 HA CYS 54 HA CYS 54 -2.529 14.019 -5.177 411 HB2 CYS 54 1HB CYS 54 -2.751 16.181 -3.939 412 HB3 CYS 54 2HB CYS 54 -1.721 15.525 -2.667 413 HG CYS 54 HG CYS 54 0.125 16.412 -4.075 414 H ALA 55 H ALA 55 -0.906 12.617 -5.586 415 HA ALA 55 HA ALA 55 -0.026 10.662 -3.728 416 HB1 ALA 55 3HB ALA 55 1.361 11.633 -6.241 417 HB2 ALA 55 1HB ALA 55 0.094 10.408 -6.188 418 HB3 ALA 55 2HB ALA 55 1.653 10.095 -5.425 419 H GLY 56 H GLY 56 1.279 13.838 -4.555 420 HA2 GLY 56 1HA GLY 56 3.829 13.502 -3.298 421 HA3 GLY 56 2HA GLY 56 3.055 15.052 -3.617 422 H THR 57 H THR 57 0.664 14.489 -2.047 423 HA THR 57 HA THR 57 1.842 14.905 0.662 424 HB THR 57 HB THR 57 -0.279 15.904 1.232 425 HG1 THR 57 HG1 THR 57 -2.050 15.593 0.051 426 HG21 THR 57 3HG2 THR 57 -0.494 17.641 -0.550 427 HG22 THR 57 1HG2 THR 57 0.565 16.678 -1.578 428 HG23 THR 57 2HG2 THR 57 1.180 17.360 -0.073 429 H MET 58 H MET 58 0.338 12.473 -1.188 430 HA MET 58 HA MET 58 -0.999 11.186 1.104 431 HB2 MET 58 1HB MET 58 -1.887 11.085 -1.270 432 HB3 MET 58 2HB MET 58 -0.507 10.062 -1.655 433 HG2 MET 58 1HG MET 58 -1.210 8.366 -0.136 434 HG3 MET 58 2HG MET 58 -2.424 9.426 0.566 435 HE1 MET 58 3HE MET 58 -1.032 7.968 -2.544 436 HE2 MET 58 1HE MET 58 -1.846 9.234 -3.475 437 HE3 MET 58 2HE MET 58 -2.388 7.562 -3.593 438 H LYS 59 H LYS 59 -0.026 9.725 2.404 439 HA LYS 59 HA LYS 59 2.645 8.619 1.585 440 HB2 LYS 59 1HB LYS 59 1.492 9.201 4.322 441 HB3 LYS 59 2HB LYS 59 3.043 8.408 4.040 442 HG2 LYS 59 1HG LYS 59 3.772 10.390 2.716 443 HG3 LYS 59 2HG LYS 59 2.260 11.192 3.134 444 HD2 LYS 59 1HD LYS 59 4.186 10.132 5.214 445 HD3 LYS 59 2HD LYS 59 4.258 11.781 4.600 446 HE2 LYS 59 1HE LYS 59 1.781 11.968 5.267 447 HE3 LYS 59 2HE LYS 59 2.029 10.474 6.170 448 HZ1 LYS 59 3HZ LYS 59 3.695 11.491 7.478 449 HZ2 LYS 59 1HZ LYS 59 2.376 12.557 7.466 450 HZ3 LYS 59 2HZ LYS 59 3.734 12.876 6.495 451 H VAL 60 H VAL 60 3.040 6.409 2.038 452 HA VAL 60 HA VAL 60 0.580 4.755 2.538 453 HB VAL 60 HB VAL 60 3.048 4.237 0.851 454 HG11 VAL 60 1HG1 VAL 60 1.788 2.041 0.346 455 HG12 VAL 60 2HG1 VAL 60 0.884 2.364 1.825 456 HG13 VAL 60 3HG1 VAL 60 2.632 2.144 1.891 457 HG21 VAL 60 3HG2 VAL 60 1.120 5.609 -0.065 458 HG22 VAL 60 1HG2 VAL 60 0.107 4.177 0.123 459 HG23 VAL 60 2HG2 VAL 60 1.485 4.145 -0.977 460 H GLN 61 H GLN 61 0.669 3.385 4.264 461 HA GLN 61 HA GLN 61 3.341 2.772 5.477 462 HB2 GLN 61 1HB GLN 61 0.847 3.749 6.893 463 HB3 GLN 61 2HB GLN 61 2.223 3.026 7.726 464 HG2 GLN 61 1HG GLN 61 3.701 4.769 6.815 465 HG3 GLN 61 2HG GLN 61 2.340 5.485 5.955 466 HE21 GLN 61 2HE2 GLN 61 3.310 7.327 7.538 467 HE22 GLN 61 1HE2 GLN 61 2.500 7.463 9.023 468 H VAL 62 H VAL 62 3.449 0.714 6.438 469 HA VAL 62 HA VAL 62 1.258 -1.136 5.629 470 HB VAL 62 HB VAL 62 4.055 -1.714 6.651 471 HG11 VAL 62 1HG1 VAL 62 1.894 -3.472 5.451 472 HG12 VAL 62 2HG1 VAL 62 2.540 -3.563 7.089 473 HG13 VAL 62 3HG1 VAL 62 3.560 -3.988 5.716 474 HG21 VAL 62 3HG2 VAL 62 3.946 -0.545 4.434 475 HG22 VAL 62 1HG2 VAL 62 2.939 -1.863 3.834 476 HG23 VAL 62 2HG2 VAL 62 4.603 -2.178 4.328 477 H PHE 63 H PHE 63 -0.032 -2.092 7.136 478 HA PHE 63 HA PHE 63 0.757 -1.890 10.020 479 HB2 PHE 63 1HB PHE 63 -1.847 -1.197 8.674 480 HB3 PHE 63 2HB PHE 63 -1.843 -1.742 10.351 481 HD1 PHE 63 HD2 PHE 63 -0.521 -0.506 12.064 482 HD2 PHE 63 HD1 PHE 63 -1.062 1.003 8.079 483 HE1 PHE 63 HE2 PHE 63 0.181 1.746 12.824 484 HE2 PHE 63 HE1 PHE 63 -0.357 3.258 8.841 485 HZ PHE 63 HZ PHE 63 0.263 3.628 11.213 486 H LYS 64 H LYS 64 0.465 -3.685 11.214 487 HA LYS 64 HA LYS 64 -1.091 -5.959 10.088 488 HB2 LYS 64 1HB LYS 64 1.307 -6.249 9.425 489 HB3 LYS 64 2HB LYS 64 1.753 -6.198 11.130 490 HG2 LYS 64 1HG LYS 64 0.362 -8.168 11.576 491 HG3 LYS 64 2HG LYS 64 -0.147 -8.207 9.887 492 HD2 LYS 64 1HD LYS 64 2.201 -8.537 9.190 493 HD3 LYS 64 2HD LYS 64 2.700 -8.518 10.880 494 HE2 LYS 64 1HE LYS 64 2.470 -10.831 10.088 495 HE3 LYS 64 2HE LYS 64 1.257 -10.482 11.319 496 HZ1 LYS 64 3HZ LYS 64 -0.418 -10.333 9.738 497 HZ2 LYS 64 1HZ LYS 64 0.508 -11.644 9.190 498 HZ3 LYS 64 2HZ LYS 64 0.668 -10.124 8.447 499 H GLY 65 H GLY 65 -2.616 -5.918 11.720 500 HA2 GLY 65 1HA GLY 65 -3.396 -6.594 13.858 501 HA3 GLY 65 2HA GLY 65 -1.721 -6.729 14.398 502 H ASP 66 H ASP 66 -0.821 -5.022 15.506 503 HA ASP 66 HA ASP 66 -2.361 -2.448 15.640 504 HB2 ASP 66 1HB ASP 66 -2.754 -3.929 17.643 505 HB3 ASP 66 2HB ASP 66 -1.026 -3.838 17.982 506 H THR 67 H THR 67 0.537 -3.957 14.940 507 HA THR 67 HA THR 67 2.146 -1.509 15.613 508 HB THR 67 HB THR 67 3.033 -4.385 15.269 509 HG1 THR 67 HG1 THR 67 2.218 -2.870 17.352 510 HG21 THR 67 3HG2 THR 67 5.234 -3.354 16.113 511 HG22 THR 67 1HG2 THR 67 4.543 -1.798 15.651 512 HG23 THR 67 2HG2 THR 67 4.803 -3.045 14.431 513 H CYS 68 H CYS 68 3.254 -0.501 13.992 514 HA CYS 68 HA CYS 68 2.521 -1.118 11.247 515 HB2 CYS 68 1HB CYS 68 2.762 1.195 11.795 516 HB3 CYS 68 2HB CYS 68 4.350 0.925 12.513 517 HG CYS 68 HG CYS 68 4.880 0.116 9.834 518 H VAL 69 H VAL 69 3.563 -2.613 10.017 519 HA VAL 69 HA VAL 69 5.971 -3.923 10.852 520 HB VAL 69 HB VAL 69 4.618 -3.774 8.146 521 HG11 VAL 69 1HG1 VAL 69 6.875 -4.439 7.735 522 HG12 VAL 69 2HG1 VAL 69 5.925 -5.926 7.761 523 HG13 VAL 69 3HG1 VAL 69 6.900 -5.478 9.161 524 HG21 VAL 69 3HG2 VAL 69 4.505 -5.722 10.460 525 HG22 VAL 69 1HG2 VAL 69 3.911 -6.118 8.846 526 HG23 VAL 69 2HG2 VAL 69 3.174 -4.802 9.758 527 H SER 70 H SER 70 5.380 -1.472 8.303 528 HA SER 70 HA SER 70 7.893 -0.153 8.763 529 HB2 SER 70 1HB SER 70 9.080 -0.788 6.723 530 HB3 SER 70 2HB SER 70 8.757 -2.230 7.678 531 HG SER 70 HG SER 70 7.046 -1.299 5.620 532 H THR 71 H THR 71 8.266 1.559 7.075 533 HA THR 71 HA THR 71 5.682 2.347 5.755 534 HB THR 71 HB THR 71 7.940 4.069 6.819 535 HG1 THR 71 HG1 THR 71 5.784 3.007 7.933 536 HG21 THR 71 3HG2 THR 71 6.200 5.901 6.289 537 HG22 THR 71 1HG2 THR 71 5.442 4.698 5.245 538 HG23 THR 71 2HG2 THR 71 7.097 5.222 4.932 539 H MET 72 H MET 72 5.742 2.403 3.577 540 HA MET 72 HA MET 72 8.064 1.675 2.084 541 HB2 MET 72 1HB MET 72 5.466 2.988 1.243 542 HB3 MET 72 2HB MET 72 6.673 2.373 0.111 543 HG2 MET 72 1HG MET 72 6.472 0.125 1.101 544 HG3 MET 72 2HG MET 72 5.280 0.732 2.250 545 HE1 MET 72 3HE MET 72 3.354 -0.788 1.720 546 HE2 MET 72 1HE MET 72 4.530 -1.699 0.761 547 HE3 MET 72 2HE MET 72 2.938 -1.338 0.099 548 H ASP 73 H ASP 73 9.678 3.202 2.850 549 HA ASP 73 HA ASP 73 9.356 6.038 2.017 550 HB2 ASP 73 1HB ASP 73 10.254 5.600 4.259 551 HB3 ASP 73 2HB ASP 73 11.549 4.623 3.567 552 H ASN 74 H ASN 74 10.970 3.088 1.096 553 HA ASN 74 HA ASN 74 12.900 4.460 -0.650 554 HB2 ASN 74 1HB ASN 74 12.243 1.544 -0.169 555 HB3 ASN 74 2HB ASN 74 13.466 2.087 -1.320 556 HD21 ASN 74 2HD2 ASN 74 13.985 0.545 1.157 557 HD22 ASN 74 1HD2 ASN 74 14.987 1.518 2.121 558 H ASN 75 H ASN 75 12.163 5.300 -2.533 559 HA ASN 75 HA ASN 75 9.749 4.345 -3.833 560 HB2 ASN 75 1HB ASN 75 10.198 6.050 -5.488 561 HB3 ASN 75 2HB ASN 75 10.578 6.722 -3.902 562 HD21 ASN 75 2HD2 ASN 75 11.771 7.701 -6.358 563 HD22 ASN 75 1HD2 ASN 75 13.432 7.371 -6.287 564 H ASP 76 H ASP 76 13.083 3.490 -3.970 565 HA ASP 76 HA ASP 76 12.863 2.246 -6.647 566 HB2 ASP 76 1HB ASP 76 15.116 2.393 -4.619 567 HB3 ASP 76 2HB ASP 76 15.246 1.589 -6.183 568 H ALA 77 H ALA 77 11.948 1.443 -3.558 569 HA ALA 77 HA ALA 77 12.803 -1.365 -3.595 570 HB1 ALA 77 3HB ALA 77 11.066 0.287 -1.762 571 HB2 ALA 77 1HB ALA 77 12.643 -0.428 -1.428 572 HB3 ALA 77 2HB ALA 77 11.219 -1.459 -1.568 573 H GLN 78 H GLN 78 11.359 -3.162 -3.773 574 HA GLN 78 HA GLN 78 9.090 -2.654 -5.591 575 HB2 GLN 78 1HB GLN 78 10.441 -5.186 -4.645 576 HB3 GLN 78 2HB GLN 78 9.037 -5.171 -5.714 577 HG2 GLN 78 1HG GLN 78 10.271 -3.811 -7.344 578 HG3 GLN 78 2HG GLN 78 11.674 -3.788 -6.276 579 HE21 GLN 78 2HE2 GLN 78 10.405 -5.391 -8.927 580 HE22 GLN 78 1HE2 GLN 78 11.247 -6.857 -8.783 581 H LEU 79 H LEU 79 6.994 -3.697 -5.175 582 HA LEU 79 HA LEU 79 5.960 -3.100 -2.590 583 HB2 LEU 79 1HB LEU 79 4.558 -3.113 -4.600 584 HB3 LEU 79 2HB LEU 79 4.834 -4.839 -4.808 585 HG LEU 79 HG LEU 79 3.674 -5.316 -2.707 586 HD11 LEU 79 1HD1 LEU 79 2.410 -3.252 -1.690 587 HD12 LEU 79 2HD1 LEU 79 3.677 -2.309 -2.475 588 HD13 LEU 79 3HD1 LEU 79 4.097 -3.517 -1.261 589 HD21 LEU 79 3HD2 LEU 79 2.199 -3.456 -4.592 590 HD22 LEU 79 1HD2 LEU 79 1.399 -4.429 -3.358 591 HD23 LEU 79 2HD2 LEU 79 2.274 -5.216 -4.671 592 H GLY 80 H GLY 80 6.898 -6.197 -4.086 593 HA2 GLY 80 1HA GLY 80 5.987 -7.854 -1.945 594 HA3 GLY 80 2HA GLY 80 7.196 -8.319 -3.135 595 H TYR 81 H TYR 81 8.834 -5.862 -2.221 596 HA TYR 81 HA TYR 81 10.567 -7.259 -0.450 597 HB2 TYR 81 1HB TYR 81 11.352 -5.371 -1.770 598 HB3 TYR 81 2HB TYR 81 10.256 -4.282 -0.923 599 HD1 TYR 81 HD1 TYR 81 13.272 -6.412 -0.564 600 HD2 TYR 81 HD2 TYR 81 10.755 -3.460 1.281 601 HE1 TYR 81 HE1 TYR 81 14.979 -6.058 1.201 602 HE2 TYR 81 HE2 TYR 81 12.462 -3.105 3.043 603 HH TYR 81 HH TYR 81 14.588 -3.528 3.653 604 H TYR 82 H TYR 82 8.187 -4.679 0.283 605 HA TYR 82 HA TYR 82 8.643 -5.013 3.160 606 HB2 TYR 82 1HB TYR 82 6.673 -3.352 1.571 607 HB3 TYR 82 2HB TYR 82 6.776 -3.334 3.333 608 HD1 TYR 82 HD2 TYR 82 9.143 -2.911 4.357 609 HD2 TYR 82 HD1 TYR 82 8.060 -1.913 0.320 610 HE1 TYR 82 HE2 TYR 82 11.032 -1.309 4.245 611 HE2 TYR 82 HE1 TYR 82 9.951 -0.312 0.211 612 HH TYR 82 HH TYR 82 11.329 1.022 1.840 613 H ALA 83 H ALA 83 6.001 -5.722 0.865 614 HA ALA 83 HA ALA 83 4.576 -7.212 3.022 615 HB1 ALA 83 3HB ALA 83 2.761 -7.331 1.224 616 HB2 ALA 83 1HB ALA 83 3.756 -6.216 0.287 617 HB3 ALA 83 2HB ALA 83 3.125 -5.727 1.859 618 H ASN 84 H ASN 84 4.315 -9.406 2.933 619 HA ASN 84 HA ASN 84 4.917 -10.912 0.487 620 HB2 ASN 84 1HB ASN 84 7.159 -10.549 1.535 621 HB3 ASN 84 2HB ASN 84 6.574 -11.351 2.990 622 HD21 ASN 84 2HD2 ASN 84 7.949 -13.221 2.821 623 HD22 ASN 84 1HD2 ASN 84 7.800 -14.352 1.564 624 H SER 85 H SER 85 2.749 -10.412 2.580 625 HA SER 85 HA SER 85 1.961 -13.247 2.850 626 HB2 SER 85 1HB SER 85 3.152 -12.890 4.942 627 HB3 SER 85 2HB SER 85 2.266 -11.395 5.232 628 HG SER 85 HG SER 85 1.434 -14.058 5.408 629 H ASP 86 H ASP 86 -0.304 -13.499 3.066 630 HA ASP 86 HA ASP 86 -1.860 -11.167 2.183 631 HB2 ASP 86 1HB ASP 86 -3.715 -12.783 2.002 632 HB3 ASP 86 2HB ASP 86 -2.267 -13.383 1.192 633 H GLY 87 H GLY 87 -3.918 -10.592 3.290 634 HA2 GLY 87 1HA GLY 87 -5.295 -10.392 5.245 635 HA3 GLY 87 2HA GLY 87 -4.074 -11.263 6.175 636 H LEU 88 H LEU 88 -2.315 -9.137 4.443 637 HA LEU 88 HA LEU 88 -1.903 -7.386 6.727 638 HB2 LEU 88 1HB LEU 88 -0.860 -7.175 3.886 639 HB3 LEU 88 2HB LEU 88 -0.253 -6.274 5.275 640 HG LEU 88 HG LEU 88 -0.243 -9.297 5.014 641 HD11 LEU 88 1HD1 LEU 88 1.337 -7.938 3.515 642 HD12 LEU 88 2HD1 LEU 88 2.091 -9.137 4.567 643 HD13 LEU 88 3HD1 LEU 88 2.135 -7.431 5.004 644 HD21 LEU 88 3HD2 LEU 88 0.566 -7.374 7.195 645 HD22 LEU 88 1HD2 LEU 88 1.438 -8.898 7.011 646 HD23 LEU 88 2HD2 LEU 88 -0.293 -8.910 7.326 647 H ARG 89 H ARG 89 -2.245 -5.087 6.752 648 HA ARG 89 HA ARG 89 -4.347 -4.120 4.827 649 HB2 ARG 89 1HB ARG 89 -5.275 -4.577 7.093 650 HB3 ARG 89 2HB ARG 89 -4.097 -3.459 7.781 651 HG2 ARG 89 1HG ARG 89 -5.027 -1.617 6.464 652 HG3 ARG 89 2HG ARG 89 -6.163 -2.721 5.686 653 HD2 ARG 89 1HD ARG 89 -6.052 -2.248 8.678 654 HD3 ARG 89 2HD ARG 89 -7.165 -1.415 7.591 655 HE ARG 89 HE ARG 89 -7.500 -4.166 7.102 656 HH11 ARG 89 1HH2 ARG 89 -7.782 -1.911 9.696 657 HH12 ARG 89 2HH2 ARG 89 -9.061 -2.774 10.484 658 HH21 ARG 89 1HH1 ARG 89 -9.169 -5.304 8.114 659 HH22 ARG 89 2HH1 ARG 89 -9.847 -4.695 9.587 660 H LEU 90 H LEU 90 -3.807 -2.274 3.796 661 HA LEU 90 HA LEU 90 -1.380 -0.780 4.715 662 HB2 LEU 90 1HB LEU 90 -2.807 -0.740 2.035 663 HB3 LEU 90 2HB LEU 90 -1.274 0.047 2.413 664 HG LEU 90 HG LEU 90 -1.790 -2.940 2.539 665 HD11 LEU 90 1HD1 LEU 90 -0.314 -3.037 0.564 666 HD12 LEU 90 2HD1 LEU 90 -0.212 -1.277 0.554 667 HD13 LEU 90 3HD1 LEU 90 -1.753 -2.072 0.234 668 HD21 LEU 90 3HD2 LEU 90 0.587 -1.199 3.196 669 HD22 LEU 90 1HD2 LEU 90 0.838 -2.847 2.618 670 HD23 LEU 90 2HD2 LEU 90 -0.073 -2.563 4.098 671 H HIS 91 H HIS 91 -1.701 1.170 5.632 672 HA HIS 91 HA HIS 91 -4.392 2.443 5.385 673 HB2 HIS 91 1HB HIS 91 -3.527 2.013 7.666 674 HB3 HIS 91 2HB HIS 91 -2.118 3.013 7.310 675 HD1 HIS 91 HD1 HIS 91 -5.915 3.408 7.081 676 HD2 HIS 91 HD2 HIS 91 -2.527 5.620 8.087 677 HE1 HIS 91 HE1 HIS 91 -6.739 5.692 7.801 678 H VAL 92 H VAL 92 -4.613 4.266 4.195 679 HA VAL 92 HA VAL 92 -2.143 5.574 3.125 680 HB VAL 92 HB VAL 92 -5.032 5.550 2.201 681 HG11 VAL 92 1HG1 VAL 92 -4.049 6.816 0.214 682 HG12 VAL 92 2HG1 VAL 92 -2.649 7.137 1.236 683 HG13 VAL 92 3HG1 VAL 92 -4.238 7.743 1.702 684 HG21 VAL 92 3HG2 VAL 92 -2.472 4.547 0.920 685 HG22 VAL 92 1HG2 VAL 92 -4.096 4.399 0.250 686 HG23 VAL 92 2HG2 VAL 92 -3.667 3.528 1.723 687 H VAL 93 H VAL 93 -1.636 7.573 3.866 688 HA VAL 93 HA VAL 93 -3.662 9.051 5.508 689 HB VAL 93 HB VAL 93 -0.640 9.325 5.389 690 HG11 VAL 93 1HG1 VAL 93 -2.780 10.614 7.099 691 HG12 VAL 93 2HG1 VAL 93 -1.616 11.419 6.045 692 HG13 VAL 93 3HG1 VAL 93 -1.068 10.630 7.525 693 HG21 VAL 93 3HG2 VAL 93 -1.356 7.185 6.372 694 HG22 VAL 93 1HG2 VAL 93 -2.466 8.037 7.444 695 HG23 VAL 93 2HG2 VAL 93 -0.726 8.252 7.626 696 H ASP 94 H ASP 94 -4.699 10.516 4.221 697 HA ASP 94 HA ASP 94 -3.195 11.850 2.024 698 HB2 ASP 94 1HB ASP 94 -5.457 10.790 1.640 699 HB3 ASP 94 2HB ASP 94 -6.146 12.036 2.683 700 H SER 95 H SER 95 -2.141 13.657 2.691 701 HA SER 95 HA SER 95 -3.430 16.014 3.502 702 HB2 SER 95 1HB SER 95 -3.995 15.294 5.649 703 HB3 SER 95 2HB SER 95 -2.592 14.236 5.769 704 HG SER 95 HG SER 95 -1.317 16.202 5.815 Start of MODEL 19 1 H1 MET 1 1H MET 1 17.161 6.179 -22.058 2 H2 MET 1 2H MET 1 17.563 7.165 -23.383 3 H3 MET 1 3H MET 1 15.934 6.848 -23.019 4 HA MET 1 HA MET 1 16.894 9.103 -22.337 5 HB2 MET 1 1HB MET 1 15.421 7.252 -20.437 6 HB3 MET 1 2HB MET 1 15.574 8.992 -20.184 7 HG2 MET 1 1HG MET 1 14.475 9.407 -22.356 8 HG3 MET 1 2HG MET 1 14.321 7.669 -22.611 9 HE1 MET 1 3HE MET 1 11.915 7.624 -22.983 10 HE2 MET 1 1HE MET 1 11.764 9.382 -22.862 11 HE3 MET 1 2HE MET 1 10.662 8.337 -21.970 12 H GLY 2 H GLY 2 18.668 6.451 -21.579 13 HA2 GLY 2 1HA GLY 2 20.795 7.724 -20.337 14 HA3 GLY 2 2HA GLY 2 19.759 7.209 -19.004 15 H HIS 3 H HIS 3 19.065 4.825 -19.130 16 HA HIS 3 HA HIS 3 21.062 3.104 -20.505 17 HB2 HIS 3 1HB HIS 3 20.517 3.047 -17.523 18 HB3 HIS 3 2HB HIS 3 21.459 1.841 -18.401 19 HD1 HIS 3 HD1 HIS 3 23.705 2.695 -19.542 20 HD2 HIS 3 HD2 HIS 3 21.902 5.416 -16.948 21 HE1 HIS 3 HE1 HIS 3 25.442 4.470 -19.045 22 H HIS 4 H HIS 4 20.417 0.796 -20.426 23 HA HIS 4 HA HIS 4 17.596 0.499 -20.988 24 HB2 HIS 4 1HB HIS 4 19.861 -1.493 -20.728 25 HB3 HIS 4 2HB HIS 4 18.225 -1.940 -21.214 26 HD1 HIS 4 HD1 HIS 4 21.225 0.033 -22.370 27 HD2 HIS 4 HD2 HIS 4 17.517 -1.175 -23.844 28 HE1 HIS 4 HE1 HIS 4 21.227 0.572 -24.845 29 H HIS 5 H HIS 5 16.001 -0.405 -19.740 30 HA HIS 5 HA HIS 5 16.717 -1.394 -17.004 31 HB2 HIS 5 1HB HIS 5 14.636 -0.279 -16.184 32 HB3 HIS 5 2HB HIS 5 15.839 0.871 -16.766 33 HD1 HIS 5 HD1 HIS 5 14.439 -0.716 -19.662 34 HD2 HIS 5 HD2 HIS 5 13.190 2.354 -17.131 35 HE1 HIS 5 HE1 HIS 5 12.659 0.576 -20.922 36 H HIS 6 H HIS 6 15.926 -2.580 -19.736 37 HA HIS 6 HA HIS 6 13.306 -3.726 -19.449 38 HB2 HIS 6 1HB HIS 6 15.747 -4.569 -21.033 39 HB3 HIS 6 2HB HIS 6 14.199 -5.407 -21.135 40 HD1 HIS 6 HD1 HIS 6 12.140 -3.968 -22.024 41 HD2 HIS 6 HD2 HIS 6 15.875 -2.172 -22.477 42 HE1 HIS 6 HE1 HIS 6 11.824 -2.063 -23.663 43 H HIS 7 H HIS 7 16.555 -4.823 -18.555 44 HA HIS 7 HA HIS 7 17.256 -6.694 -17.327 45 HB2 HIS 7 1HB HIS 7 14.787 -5.906 -15.750 46 HB3 HIS 7 2HB HIS 7 16.114 -6.905 -15.154 47 HD1 HIS 7 HD1 HIS 7 18.599 -5.610 -15.530 48 HD2 HIS 7 HD2 HIS 7 15.185 -3.250 -15.134 49 HE1 HIS 7 HE1 HIS 7 19.400 -3.295 -14.880 50 H HIS 8 H HIS 8 16.756 -8.170 -19.081 51 HA HIS 8 HA HIS 8 15.714 -10.036 -20.035 52 HB2 HIS 8 1HB HIS 8 15.155 -10.488 -17.089 53 HB3 HIS 8 2HB HIS 8 14.945 -11.711 -18.341 54 HD1 HIS 8 HD1 HIS 8 17.560 -9.904 -16.379 55 HD2 HIS 8 HD2 HIS 8 17.402 -12.646 -19.516 56 HE1 HIS 8 HE1 HIS 8 19.908 -10.810 -16.657 57 H SER 9 H SER 9 13.455 -11.437 -19.606 58 HA SER 9 HA SER 9 11.197 -9.584 -19.166 59 HB2 SER 9 1HB SER 9 11.812 -9.265 -21.555 60 HB3 SER 9 2HB SER 9 11.627 -10.996 -21.821 61 HG SER 9 HG SER 9 9.686 -9.044 -21.220 62 H HIS 10 H HIS 10 11.825 -11.689 -17.563 63 HA HIS 10 HA HIS 10 9.600 -13.577 -18.126 64 HB2 HIS 10 1HB HIS 10 11.769 -14.604 -18.938 65 HB3 HIS 10 2HB HIS 10 12.344 -14.547 -17.271 66 HD1 HIS 10 HD1 HIS 10 9.197 -15.786 -19.060 67 HD2 HIS 10 HD2 HIS 10 11.733 -16.882 -15.938 68 HE1 HIS 10 HE1 HIS 10 8.325 -17.990 -18.168 69 H GLY 11 H GLY 11 8.510 -14.146 -16.273 70 HA2 GLY 11 1HA GLY 11 9.622 -14.203 -13.647 71 HA3 GLY 11 2HA GLY 11 8.840 -12.641 -13.896 72 H LYS 12 H LYS 12 8.159 -15.193 -12.283 73 HA LYS 12 HA LYS 12 5.649 -16.119 -13.440 74 HB2 LYS 12 1HB LYS 12 6.742 -16.457 -10.632 75 HB3 LYS 12 2HB LYS 12 5.434 -17.390 -11.357 76 HG2 LYS 12 1HG LYS 12 8.266 -17.299 -12.436 77 HG3 LYS 12 2HG LYS 12 7.643 -18.580 -11.400 78 HD2 LYS 12 1HD LYS 12 5.776 -18.845 -13.171 79 HD3 LYS 12 2HD LYS 12 6.816 -17.883 -14.222 80 HE2 LYS 12 1HE LYS 12 8.632 -19.488 -13.976 81 HE3 LYS 12 2HE LYS 12 7.672 -20.436 -12.840 82 HZ1 LYS 12 3HZ LYS 12 6.143 -20.013 -15.141 83 HZ2 LYS 12 1HZ LYS 12 6.750 -21.479 -14.541 84 HZ3 LYS 12 2HZ LYS 12 7.673 -20.564 -15.635 85 H SER 13 H SER 13 3.558 -15.627 -12.732 86 HA SER 13 HA SER 13 3.116 -12.934 -11.835 87 HB2 SER 13 1HB SER 13 1.312 -15.320 -12.225 88 HB3 SER 13 2HB SER 13 0.698 -13.783 -11.625 89 HG SER 13 HG SER 13 2.278 -13.325 -13.719 90 H ASP 14 H ASP 14 2.333 -12.182 -9.852 91 HA ASP 14 HA ASP 14 2.055 -14.080 -7.602 92 HB2 ASP 14 1HB ASP 14 4.475 -13.482 -7.681 93 HB3 ASP 14 2HB ASP 14 4.032 -11.780 -7.543 94 H PHE 15 H PHE 15 -0.030 -13.450 -7.167 95 HA PHE 15 HA PHE 15 -0.479 -10.552 -6.509 96 HB2 PHE 15 1HB PHE 15 -2.338 -12.512 -7.892 97 HB3 PHE 15 2HB PHE 15 -2.861 -10.957 -7.241 98 HD1 PHE 15 HD1 PHE 15 -0.773 -12.621 -9.789 99 HD2 PHE 15 HD2 PHE 15 -2.206 -8.865 -8.277 100 HE1 PHE 15 HE1 PHE 15 0.030 -11.488 -11.843 101 HE2 PHE 15 HE2 PHE 15 -1.404 -7.732 -10.331 102 HZ PHE 15 HZ PHE 15 -0.286 -9.043 -12.114 103 H ILE 16 H ILE 16 -1.552 -10.190 -4.577 104 HA ILE 16 HA ILE 16 -2.543 -12.573 -3.058 105 HB ILE 16 HB ILE 16 -1.529 -11.627 -1.016 106 HG12 ILE 16 1HG1 ILE 16 -0.168 -9.683 -2.901 107 HG13 ILE 16 2HG1 ILE 16 -1.489 -9.243 -1.822 108 HG21 ILE 16 1HG2 ILE 16 0.512 -11.932 -3.232 109 HG22 ILE 16 2HG2 ILE 16 -0.317 -13.286 -2.460 110 HG23 ILE 16 3HG2 ILE 16 0.757 -12.253 -1.516 111 HD11 ILE 16 3HD1 ILE 16 0.458 -8.663 -0.608 112 HD12 ILE 16 1HD1 ILE 16 1.297 -10.138 -1.085 113 HD13 ILE 16 2HD1 ILE 16 -0.027 -10.212 0.072 114 H LYS 17 H LYS 17 -3.986 -11.924 -1.238 115 HA LYS 17 HA LYS 17 -5.687 -9.622 -2.078 116 HB2 LYS 17 1HB LYS 17 -6.215 -12.027 -0.322 117 HB3 LYS 17 2HB LYS 17 -7.375 -10.721 -0.569 118 HG2 LYS 17 1HG LYS 17 -7.212 -11.131 -3.041 119 HG3 LYS 17 2HG LYS 17 -6.209 -12.537 -2.697 120 HD2 LYS 17 1HD LYS 17 -8.991 -12.154 -1.558 121 HD3 LYS 17 2HD LYS 17 -8.666 -13.050 -3.042 122 HE2 LYS 17 1HE LYS 17 -7.014 -14.444 -1.636 123 HE3 LYS 17 2HE LYS 17 -7.791 -13.718 -0.228 124 HZ1 LYS 17 3HZ LYS 17 -9.930 -14.518 -1.080 125 HZ2 LYS 17 1HZ LYS 17 -8.853 -15.787 -0.754 126 HZ3 LYS 17 2HZ LYS 17 -9.125 -15.296 -2.358 127 H VAL 18 H VAL 18 -5.586 -7.797 -0.908 128 HA VAL 18 HA VAL 18 -4.984 -7.953 2.007 129 HB VAL 18 HB VAL 18 -3.494 -5.954 1.761 130 HG11 VAL 18 1HG1 VAL 18 -2.607 -8.364 0.151 131 HG12 VAL 18 2HG1 VAL 18 -2.627 -8.294 1.914 132 HG13 VAL 18 3HG1 VAL 18 -1.562 -7.224 1.000 133 HG21 VAL 18 3HG2 VAL 18 -3.601 -6.644 -1.192 134 HG22 VAL 18 1HG2 VAL 18 -2.653 -5.359 -0.445 135 HG23 VAL 18 2HG2 VAL 18 -4.412 -5.255 -0.470 136 H ASN 19 H ASN 19 -5.618 -5.941 3.130 137 HA ASN 19 HA ASN 19 -8.016 -4.724 1.832 138 HB2 ASN 19 1HB ASN 19 -7.119 -4.920 4.720 139 HB3 ASN 19 2HB ASN 19 -8.536 -4.011 4.194 140 HD21 ASN 19 2HD2 ASN 19 -9.262 -5.952 2.063 141 HD22 ASN 19 1HD2 ASN 19 -9.860 -7.326 2.857 142 H VAL 20 H VAL 20 -8.144 -2.514 1.534 143 HA VAL 20 HA VAL 20 -5.783 -0.872 2.395 144 HB VAL 20 HB VAL 20 -7.270 -0.842 -0.245 145 HG11 VAL 20 1HG1 VAL 20 -5.545 1.015 -0.741 146 HG12 VAL 20 2HG1 VAL 20 -5.358 1.138 1.008 147 HG13 VAL 20 3HG1 VAL 20 -6.926 1.453 0.264 148 HG21 VAL 20 3HG2 VAL 20 -4.406 -1.403 0.575 149 HG22 VAL 20 1HG2 VAL 20 -4.911 -1.170 -1.098 150 HG23 VAL 20 2HG2 VAL 20 -5.542 -2.528 -0.166 151 H SER 21 H SER 21 -6.297 0.949 3.444 152 HA SER 21 HA SER 21 -9.095 1.999 3.276 153 HB2 SER 21 1HB SER 21 -7.400 1.534 5.742 154 HB3 SER 21 2HB SER 21 -8.829 2.564 5.734 155 HG SER 21 HG SER 21 -8.933 -0.059 4.712 156 H ASN 22 H ASN 22 -9.234 4.300 3.668 157 HA ASN 22 HA ASN 22 -6.629 5.758 3.662 158 HB2 ASN 22 1HB ASN 22 -7.578 7.293 1.910 159 HB3 ASN 22 2HB ASN 22 -7.246 5.661 1.331 160 HD21 ASN 22 2HD2 ASN 22 -8.899 6.048 -0.375 161 HD22 ASN 22 1HD2 ASN 22 -10.548 5.922 0.004 162 H SER 23 H SER 23 -6.643 7.647 4.758 163 HA SER 23 HA SER 23 -8.773 8.101 6.649 164 HB2 SER 23 1HB SER 23 -6.499 8.595 7.283 165 HB3 SER 23 2HB SER 23 -6.306 9.695 5.921 166 HG SER 23 HG SER 23 -7.398 11.185 6.962 167 H HIS 24 H HIS 24 -9.889 10.182 6.898 168 HA HIS 24 HA HIS 24 -11.239 11.921 6.125 169 HB2 HIS 24 1HB HIS 24 -9.540 12.038 3.628 170 HB3 HIS 24 2HB HIS 24 -10.416 13.341 4.423 171 HD1 HIS 24 HD1 HIS 24 -9.487 13.973 6.908 172 HD2 HIS 24 HD2 HIS 24 -6.900 11.813 4.453 173 HE1 HIS 24 HE1 HIS 24 -7.172 14.236 7.900 174 H ASN 25 H ASN 25 -10.268 10.210 3.129 175 HA ASN 25 HA ASN 25 -12.893 10.352 2.002 176 HB2 ASN 25 1HB ASN 25 -10.773 10.008 0.711 177 HB3 ASN 25 2HB ASN 25 -10.705 8.363 1.342 178 HD21 ASN 25 2HD2 ASN 25 -10.923 8.740 -1.444 179 HD22 ASN 25 1HD2 ASN 25 -12.471 8.263 -1.957 180 H ASP 26 H ASP 26 -14.588 8.901 2.028 181 HA ASP 26 HA ASP 26 -14.528 6.817 4.123 182 HB2 ASP 26 1HB ASP 26 -16.732 7.916 2.355 183 HB3 ASP 26 2HB ASP 26 -16.977 6.641 3.549 184 H ALA 27 H ALA 27 -13.743 6.991 0.891 185 HA ALA 27 HA ALA 27 -14.963 4.553 -0.078 186 HB1 ALA 27 3HB ALA 27 -13.371 4.764 -1.943 187 HB2 ALA 27 1HB ALA 27 -12.479 5.999 -1.054 188 HB3 ALA 27 2HB ALA 27 -14.126 6.321 -1.600 189 H VAL 28 H VAL 28 -14.296 2.479 0.273 190 HA VAL 28 HA VAL 28 -11.510 2.015 1.262 191 HB VAL 28 HB VAL 28 -14.037 0.804 2.422 192 HG11 VAL 28 1HG1 VAL 28 -11.090 0.382 2.996 193 HG12 VAL 28 2HG1 VAL 28 -12.245 -0.826 2.434 194 HG13 VAL 28 3HG1 VAL 28 -12.380 -0.168 4.064 195 HG21 VAL 28 3HG2 VAL 28 -12.023 2.814 3.470 196 HG22 VAL 28 1HG2 VAL 28 -13.208 2.000 4.491 197 HG23 VAL 28 2HG2 VAL 28 -13.746 3.077 3.202 198 H ALA 29 H ALA 29 -10.529 0.301 0.310 199 HA ALA 29 HA ALA 29 -12.164 -1.339 -1.590 200 HB1 ALA 29 3HB ALA 29 -10.415 -0.246 -2.765 201 HB2 ALA 29 1HB ALA 29 -9.828 -1.890 -2.511 202 HB3 ALA 29 2HB ALA 29 -9.244 -0.577 -1.488 203 H PHE 30 H PHE 30 -12.013 -3.600 -1.515 204 HA PHE 30 HA PHE 30 -10.502 -4.771 0.795 205 HB2 PHE 30 1HB PHE 30 -13.347 -5.340 -0.069 206 HB3 PHE 30 2HB PHE 30 -12.445 -6.339 1.073 207 HD1 PHE 30 HD2 PHE 30 -11.493 -5.238 3.166 208 HD2 PHE 30 HD1 PHE 30 -14.403 -3.335 0.644 209 HE1 PHE 30 HE2 PHE 30 -12.061 -3.675 5.004 210 HE2 PHE 30 HE1 PHE 30 -14.972 -1.771 2.483 211 HZ PHE 30 HZ PHE 30 -13.801 -1.941 4.663 212 H GLU 31 H GLU 31 -9.755 -6.878 0.498 213 HA GLU 31 HA GLU 31 -8.641 -8.478 -0.803 214 HB2 GLU 31 1HB GLU 31 -11.474 -8.586 -1.874 215 HB3 GLU 31 2HB GLU 31 -10.242 -9.802 -2.224 216 HG2 GLU 31 1HG GLU 31 -9.979 -10.270 0.165 217 HG3 GLU 31 2HG GLU 31 -11.145 -9.009 0.560 218 H VAL 32 H VAL 32 -7.942 -6.033 -1.777 219 HA VAL 32 HA VAL 32 -8.469 -5.952 -4.675 220 HB VAL 32 HB VAL 32 -8.284 -3.853 -3.380 221 HG11 VAL 32 1HG1 VAL 32 -6.471 -4.876 -1.836 222 HG12 VAL 32 2HG1 VAL 32 -6.310 -3.179 -2.285 223 HG13 VAL 32 3HG1 VAL 32 -5.329 -4.401 -3.094 224 HG21 VAL 32 3HG2 VAL 32 -6.907 -2.685 -4.958 225 HG22 VAL 32 1HG2 VAL 32 -7.607 -4.052 -5.824 226 HG23 VAL 32 2HG2 VAL 32 -5.934 -4.122 -5.271 227 H LYS 33 H LYS 33 -7.278 -7.106 -6.089 228 HA LYS 33 HA LYS 33 -4.917 -8.559 -5.214 229 HB2 LYS 33 1HB LYS 33 -6.239 -8.232 -7.914 230 HB3 LYS 33 2HB LYS 33 -4.844 -9.276 -7.634 231 HG2 LYS 33 1HG LYS 33 -6.158 -10.464 -5.863 232 HG3 LYS 33 2HG LYS 33 -7.561 -9.497 -6.308 233 HD2 LYS 33 1HD LYS 33 -6.043 -11.243 -8.265 234 HD3 LYS 33 2HD LYS 33 -7.476 -11.781 -7.394 235 HE2 LYS 33 1HE LYS 33 -8.631 -9.682 -8.365 236 HE3 LYS 33 2HE LYS 33 -7.259 -9.600 -9.470 237 HZ1 LYS 33 3HZ LYS 33 -8.012 -11.316 -10.640 238 HZ2 LYS 33 1HZ LYS 33 -9.490 -11.096 -9.835 239 HZ3 LYS 33 2HZ LYS 33 -8.369 -12.233 -9.255 240 H LEU 34 H LEU 34 -2.852 -7.863 -5.315 241 HA LEU 34 HA LEU 34 -2.132 -5.701 -7.252 242 HB2 LEU 34 1HB LEU 34 -1.386 -5.836 -4.317 243 HB3 LEU 34 2HB LEU 34 -0.722 -4.678 -5.469 244 HG LEU 34 HG LEU 34 -3.683 -4.974 -4.875 245 HD11 LEU 34 1HD1 LEU 34 -2.675 -4.184 -2.860 246 HD12 LEU 34 2HD1 LEU 34 -3.316 -2.755 -3.670 247 HD13 LEU 34 3HD1 LEU 34 -1.588 -3.109 -3.740 248 HD21 LEU 34 3HD2 LEU 34 -3.559 -3.920 -6.967 249 HD22 LEU 34 1HD2 LEU 34 -2.028 -3.128 -6.597 250 HD23 LEU 34 2HD2 LEU 34 -3.526 -2.533 -5.885 251 H ALA 35 H ALA 35 -0.286 -6.124 -8.334 252 HA ALA 35 HA ALA 35 1.026 -8.670 -7.988 253 HB1 ALA 35 3HB ALA 35 1.218 -6.343 -9.818 254 HB2 ALA 35 1HB ALA 35 1.235 -8.063 -10.190 255 HB3 ALA 35 2HB ALA 35 2.707 -7.271 -9.638 256 H LYS 36 H LYS 36 2.947 -9.147 -7.007 257 HA LYS 36 HA LYS 36 3.963 -7.285 -5.022 258 HB2 LYS 36 1HB LYS 36 4.213 -10.135 -5.684 259 HB3 LYS 36 2HB LYS 36 5.744 -9.451 -5.143 260 HG2 LYS 36 1HG LYS 36 4.425 -10.332 -3.250 261 HG3 LYS 36 2HG LYS 36 4.684 -8.601 -3.116 262 HD2 LYS 36 1HD LYS 36 2.239 -8.976 -4.605 263 HD3 LYS 36 2HD LYS 36 2.169 -10.030 -3.207 264 HE2 LYS 36 1HE LYS 36 2.440 -8.208 -1.689 265 HE3 LYS 36 2HE LYS 36 2.937 -7.112 -2.968 266 HZ1 LYS 36 3HZ LYS 36 0.270 -8.012 -2.252 267 HZ2 LYS 36 1HZ LYS 36 0.587 -7.837 -3.906 268 HZ3 LYS 36 2HZ LYS 36 0.785 -6.514 -2.859 269 H ASP 37 H ASP 37 4.708 -7.964 -8.296 270 HA ASP 37 HA ASP 37 7.513 -7.146 -8.125 271 HB2 ASP 37 1HB ASP 37 6.656 -8.762 -9.828 272 HB3 ASP 37 2HB ASP 37 5.725 -7.453 -10.556 273 H LEU 38 H LEU 38 4.650 -5.472 -7.881 274 HA LEU 38 HA LEU 38 5.324 -3.187 -9.559 275 HB2 LEU 38 1HB LEU 38 3.301 -3.533 -7.334 276 HB3 LEU 38 2HB LEU 38 3.431 -2.088 -8.334 277 HG LEU 38 HG LEU 38 2.997 -4.874 -9.447 278 HD11 LEU 38 1HD1 LEU 38 0.634 -4.039 -9.819 279 HD12 LEU 38 2HD1 LEU 38 1.020 -2.686 -8.755 280 HD13 LEU 38 3HD1 LEU 38 1.058 -4.336 -8.133 281 HD21 LEU 38 3HD2 LEU 38 3.822 -3.595 -11.232 282 HD22 LEU 38 1HD2 LEU 38 3.111 -2.099 -10.627 283 HD23 LEU 38 2HD2 LEU 38 2.092 -3.318 -11.388 284 H THR 39 H THR 39 6.187 -1.219 -8.925 285 HA THR 39 HA THR 39 7.846 -1.282 -6.503 286 HB THR 39 HB THR 39 8.941 0.612 -7.396 287 HG1 THR 39 HG1 THR 39 7.976 2.020 -8.742 288 HG21 THR 39 3HG2 THR 39 9.396 0.018 -9.713 289 HG22 THR 39 1HG2 THR 39 7.895 -0.904 -9.800 290 HG23 THR 39 2HG2 THR 39 9.210 -1.456 -8.761 291 H VAL 40 H VAL 40 7.899 0.799 -5.166 292 HA VAL 40 HA VAL 40 5.358 1.228 -3.925 293 HB VAL 40 HB VAL 40 7.965 2.766 -3.824 294 HG11 VAL 40 1HG1 VAL 40 6.957 3.740 -1.696 295 HG12 VAL 40 2HG1 VAL 40 5.396 3.156 -2.272 296 HG13 VAL 40 3HG1 VAL 40 6.291 4.356 -3.205 297 HG21 VAL 40 3HG2 VAL 40 6.624 0.871 -1.871 298 HG22 VAL 40 1HG2 VAL 40 8.175 1.674 -1.627 299 HG23 VAL 40 2HG2 VAL 40 7.996 0.472 -2.905 300 H ALA 41 H ALA 41 7.250 3.170 -6.234 301 HA ALA 41 HA ALA 41 5.564 5.441 -6.342 302 HB1 ALA 41 3HB ALA 41 6.626 5.921 -8.455 303 HB2 ALA 41 1HB ALA 41 7.056 4.226 -8.680 304 HB3 ALA 41 2HB ALA 41 7.839 5.173 -7.414 305 H GLN 42 H GLN 42 5.404 2.371 -8.131 306 HA GLN 42 HA GLN 42 3.187 3.113 -9.803 307 HB2 GLN 42 1HB GLN 42 4.116 0.393 -8.831 308 HB3 GLN 42 2HB GLN 42 2.923 0.647 -10.104 309 HG2 GLN 42 1HG GLN 42 5.760 1.717 -10.180 310 HG3 GLN 42 2HG GLN 42 5.226 0.246 -10.993 311 HE21 GLN 42 2HE2 GLN 42 6.021 3.231 -11.844 312 HE22 GLN 42 1HE2 GLN 42 4.855 3.571 -13.028 313 H LEU 43 H LEU 43 3.429 1.598 -6.608 314 HA LEU 43 HA LEU 43 0.668 0.965 -6.297 315 HB2 LEU 43 1HB LEU 43 2.370 0.062 -4.787 316 HB3 LEU 43 2HB LEU 43 2.762 1.684 -4.219 317 HG LEU 43 HG LEU 43 0.529 1.933 -3.259 318 HD11 LEU 43 1HD1 LEU 43 0.051 -0.686 -4.674 319 HD12 LEU 43 2HD1 LEU 43 -0.955 0.762 -4.646 320 HD13 LEU 43 3HD1 LEU 43 -0.882 -0.283 -3.232 321 HD21 LEU 43 3HD2 LEU 43 1.621 -0.781 -2.484 322 HD22 LEU 43 1HD2 LEU 43 0.732 0.346 -1.461 323 HD23 LEU 43 2HD2 LEU 43 2.367 0.738 -1.993 324 H LYS 44 H LYS 44 2.527 3.884 -5.493 325 HA LYS 44 HA LYS 44 0.415 5.318 -4.231 326 HB2 LYS 44 1HB LYS 44 2.863 6.236 -5.753 327 HB3 LYS 44 2HB LYS 44 1.766 7.357 -4.945 328 HG2 LYS 44 1HG LYS 44 2.151 6.192 -2.801 329 HG3 LYS 44 2HG LYS 44 3.245 5.069 -3.608 330 HD2 LYS 44 1HD LYS 44 4.753 6.896 -4.197 331 HD3 LYS 44 2HD LYS 44 3.636 8.075 -3.509 332 HE2 LYS 44 1HE LYS 44 3.905 7.050 -1.288 333 HE3 LYS 44 2HE LYS 44 5.005 5.853 -1.964 334 HZ1 LYS 44 3HZ LYS 44 5.642 8.370 -1.015 335 HZ2 LYS 44 1HZ LYS 44 5.819 8.459 -2.700 336 HZ3 LYS 44 2HZ LYS 44 6.671 7.283 -1.818 337 H THR 45 H THR 45 1.344 4.994 -7.631 338 HA THR 45 HA THR 45 -0.394 6.980 -8.699 339 HB THR 45 HB THR 45 0.319 4.352 -10.020 340 HG1 THR 45 HG1 THR 45 1.925 6.398 -10.657 341 HG21 THR 45 3HG2 THR 45 0.274 5.801 -12.063 342 HG22 THR 45 1HG2 THR 45 -0.314 7.125 -11.058 343 HG23 THR 45 2HG2 THR 45 -1.291 5.671 -11.260 344 H LYS 46 H LYS 46 -0.924 3.484 -8.141 345 HA LYS 46 HA LYS 46 -3.627 3.454 -9.092 346 HB2 LYS 46 1HB LYS 46 -2.178 1.690 -7.098 347 HB3 LYS 46 2HB LYS 46 -3.803 1.356 -7.697 348 HG2 LYS 46 1HG LYS 46 -2.935 1.311 -10.014 349 HG3 LYS 46 2HG LYS 46 -1.309 1.623 -9.404 350 HD2 LYS 46 1HD LYS 46 -1.389 -0.471 -8.101 351 HD3 LYS 46 2HD LYS 46 -3.015 -0.786 -8.706 352 HE2 LYS 46 1HE LYS 46 -2.154 -0.845 -11.014 353 HE3 LYS 46 2HE LYS 46 -0.526 -0.517 -10.420 354 HZ1 LYS 46 3HZ LYS 46 -2.140 -2.953 -10.179 355 HZ2 LYS 46 1HZ LYS 46 -1.035 -2.593 -8.944 356 HZ3 LYS 46 2HZ LYS 46 -0.489 -2.780 -10.542 357 H LEU 47 H LEU 47 -2.226 3.912 -5.861 358 HA LEU 47 HA LEU 47 -4.715 4.148 -4.468 359 HB2 LEU 47 1HB LEU 47 -1.962 5.243 -3.846 360 HB3 LEU 47 2HB LEU 47 -3.321 5.319 -2.727 361 HG LEU 47 HG LEU 47 -2.241 2.749 -3.925 362 HD11 LEU 47 1HD1 LEU 47 -1.817 3.894 -1.150 363 HD12 LEU 47 2HD1 LEU 47 -0.602 3.871 -2.427 364 HD13 LEU 47 3HD1 LEU 47 -1.198 2.356 -1.749 365 HD21 LEU 47 3HD2 LEU 47 -4.440 3.421 -1.979 366 HD22 LEU 47 1HD2 LEU 47 -3.552 1.912 -1.766 367 HD23 LEU 47 2HD2 LEU 47 -4.417 2.216 -3.266 368 H GLU 48 H GLU 48 -2.637 6.480 -6.110 369 HA GLU 48 HA GLU 48 -3.825 8.890 -5.285 370 HB2 GLU 48 1HB GLU 48 -1.800 8.652 -6.762 371 HB3 GLU 48 2HB GLU 48 -2.883 8.248 -8.095 372 HG2 GLU 48 1HG GLU 48 -4.039 10.420 -7.797 373 HG3 GLU 48 2HG GLU 48 -2.910 10.823 -6.504 374 H ILE 49 H ILE 49 -4.743 6.791 -8.025 375 HA ILE 49 HA ILE 49 -6.984 8.375 -8.849 376 HB ILE 49 HB ILE 49 -6.367 5.426 -9.198 377 HG12 ILE 49 1HG1 ILE 49 -6.208 7.711 -11.185 378 HG13 ILE 49 2HG1 ILE 49 -4.831 7.187 -10.215 379 HG21 ILE 49 1HG2 ILE 49 -8.565 7.167 -10.333 380 HG22 ILE 49 2HG2 ILE 49 -8.725 5.621 -9.499 381 HG23 ILE 49 3HG2 ILE 49 -8.040 5.681 -11.123 382 HD11 ILE 49 3HD1 ILE 49 -5.153 4.868 -11.135 383 HD12 ILE 49 1HD1 ILE 49 -4.711 6.061 -12.357 384 HD13 ILE 49 2HD1 ILE 49 -6.384 5.521 -12.216 385 H LEU 50 H LEU 50 -6.706 5.581 -6.665 386 HA LEU 50 HA LEU 50 -9.490 5.288 -6.118 387 HB2 LEU 50 1HB LEU 50 -6.977 4.552 -4.636 388 HB3 LEU 50 2HB LEU 50 -8.553 4.236 -3.925 389 HG LEU 50 HG LEU 50 -7.925 3.325 -6.740 390 HD11 LEU 50 1HD1 LEU 50 -7.291 1.878 -4.150 391 HD12 LEU 50 2HD1 LEU 50 -6.139 2.386 -5.385 392 HD13 LEU 50 3HD1 LEU 50 -7.306 1.112 -5.738 393 HD21 LEU 50 3HD2 LEU 50 -9.574 1.516 -6.020 394 HD22 LEU 50 1HD2 LEU 50 -10.255 3.133 -6.146 395 HD23 LEU 50 2HD2 LEU 50 -9.862 2.463 -4.565 396 H THR 51 H THR 51 -6.983 7.234 -4.487 397 HA THR 51 HA THR 51 -9.030 8.302 -2.619 398 HB THR 51 HB THR 51 -6.977 9.563 -1.724 399 HG1 THR 51 HG1 THR 51 -5.760 9.284 -3.660 400 HG21 THR 51 3HG2 THR 51 -7.733 7.641 -0.522 401 HG22 THR 51 1HG2 THR 51 -6.000 7.410 -0.753 402 HG23 THR 51 2HG2 THR 51 -7.148 6.544 -1.773 403 H GLY 52 H GLY 52 -7.602 9.064 -5.633 404 HA2 GLY 52 1HA GLY 52 -7.866 10.928 -7.035 405 HA3 GLY 52 2HA GLY 52 -9.163 11.442 -5.955 406 H GLY 53 H GLY 53 -6.680 11.055 -3.915 407 HA2 GLY 53 1HA GLY 53 -6.202 13.907 -3.703 408 HA3 GLY 53 2HA GLY 53 -5.490 12.662 -2.685 409 H CYS 54 H CYS 54 -3.665 14.346 -3.117 410 HA CYS 54 HA CYS 54 -2.282 13.937 -5.694 411 HB2 CYS 54 1HB CYS 54 -2.203 16.183 -4.887 412 HB3 CYS 54 2HB CYS 54 -1.750 15.664 -3.266 413 HG CYS 54 HG CYS 54 0.561 14.801 -4.426 414 H ALA 55 H ALA 55 -0.748 12.432 -5.956 415 HA ALA 55 HA ALA 55 -0.069 10.528 -3.945 416 HB1 ALA 55 3HB ALA 55 1.129 11.240 -6.622 417 HB2 ALA 55 1HB ALA 55 0.128 9.849 -6.214 418 HB3 ALA 55 2HB ALA 55 1.787 9.942 -5.625 419 H GLY 56 H GLY 56 1.501 13.496 -5.028 420 HA2 GLY 56 1HA GLY 56 4.011 13.104 -3.731 421 HA3 GLY 56 2HA GLY 56 3.342 14.670 -4.181 422 H THR 57 H THR 57 0.946 14.449 -2.530 423 HA THR 57 HA THR 57 2.212 15.009 0.109 424 HB THR 57 HB THR 57 0.127 16.137 0.653 425 HG1 THR 57 HG1 THR 57 -1.326 16.148 -1.404 426 HG21 THR 57 3HG2 THR 57 0.225 17.925 -0.918 427 HG22 THR 57 1HG2 THR 57 0.754 16.854 -2.215 428 HG23 THR 57 2HG2 THR 57 1.850 17.239 -0.889 429 H MET 58 H MET 58 0.541 12.525 -1.484 430 HA MET 58 HA MET 58 -0.822 11.507 0.918 431 HB2 MET 58 1HB MET 58 -1.789 11.258 -1.376 432 HB3 MET 58 2HB MET 58 -0.439 10.204 -1.776 433 HG2 MET 58 1HG MET 58 -1.102 8.558 -0.206 434 HG3 MET 58 2HG MET 58 -2.225 9.662 0.573 435 HE1 MET 58 3HE MET 58 -2.561 7.658 -3.501 436 HE2 MET 58 1HE MET 58 -1.115 8.133 -2.600 437 HE3 MET 58 2HE MET 58 -2.013 9.331 -3.532 438 H LYS 59 H LYS 59 0.110 10.160 2.353 439 HA LYS 59 HA LYS 59 2.709 8.856 1.629 440 HB2 LYS 59 1HB LYS 59 1.521 9.625 4.303 441 HB3 LYS 59 2HB LYS 59 3.016 8.708 4.110 442 HG2 LYS 59 1HG LYS 59 3.906 10.582 2.694 443 HG3 LYS 59 2HG LYS 59 2.463 11.508 3.092 444 HD2 LYS 59 1HD LYS 59 4.204 10.344 5.269 445 HD3 LYS 59 2HD LYS 59 4.600 11.889 4.524 446 HE2 LYS 59 1HE LYS 59 2.002 11.200 5.931 447 HE3 LYS 59 2HE LYS 59 3.264 12.270 6.532 448 HZ1 LYS 59 3HZ LYS 59 1.239 12.749 4.523 449 HZ2 LYS 59 1HZ LYS 59 2.785 13.318 4.124 450 HZ3 LYS 59 2HZ LYS 59 2.032 13.843 5.553 451 H VAL 60 H VAL 60 3.003 6.669 2.131 452 HA VAL 60 HA VAL 60 0.499 5.130 2.741 453 HB VAL 60 HB VAL 60 2.812 4.526 0.884 454 HG11 VAL 60 1HG1 VAL 60 0.686 2.712 2.040 455 HG12 VAL 60 2HG1 VAL 60 2.428 2.445 1.969 456 HG13 VAL 60 3HG1 VAL 60 1.463 2.362 0.496 457 HG21 VAL 60 3HG2 VAL 60 1.116 4.498 -0.811 458 HG22 VAL 60 1HG2 VAL 60 0.819 5.944 0.154 459 HG23 VAL 60 2HG2 VAL 60 -0.174 4.508 0.393 460 H GLN 61 H GLN 61 0.607 3.794 4.459 461 HA GLN 61 HA GLN 61 3.295 3.095 5.586 462 HB2 GLN 61 1HB GLN 61 0.835 4.087 7.049 463 HB3 GLN 61 2HB GLN 61 2.216 3.339 7.855 464 HG2 GLN 61 1HG GLN 61 3.706 5.066 6.946 465 HG3 GLN 61 2HG GLN 61 2.350 5.805 6.094 466 HE21 GLN 61 2HE2 GLN 61 1.957 7.731 7.219 467 HE22 GLN 61 1HE2 GLN 61 1.743 7.834 8.900 468 H VAL 62 H VAL 62 3.482 0.990 6.221 469 HA VAL 62 HA VAL 62 1.232 -0.808 5.562 470 HB VAL 62 HB VAL 62 4.048 -1.460 6.466 471 HG11 VAL 62 1HG1 VAL 62 2.459 -3.297 6.792 472 HG12 VAL 62 2HG1 VAL 62 3.525 -3.663 5.437 473 HG13 VAL 62 3HG1 VAL 62 1.878 -3.112 5.137 474 HG21 VAL 62 3HG2 VAL 62 4.265 -0.278 4.414 475 HG22 VAL 62 1HG2 VAL 62 2.817 -1.024 3.742 476 HG23 VAL 62 2HG2 VAL 62 4.281 -1.981 3.956 477 H PHE 63 H PHE 63 0.004 -1.807 7.073 478 HA PHE 63 HA PHE 63 0.870 -1.672 9.936 479 HB2 PHE 63 1HB PHE 63 -1.768 -1.011 8.650 480 HB3 PHE 63 2HB PHE 63 -1.749 -1.642 10.298 481 HD1 PHE 63 HD2 PHE 63 -0.619 -0.423 12.110 482 HD2 PHE 63 HD1 PHE 63 -0.899 1.197 8.137 483 HE1 PHE 63 HE2 PHE 63 0.001 1.818 12.976 484 HE2 PHE 63 HE1 PHE 63 -0.276 3.436 9.006 485 HZ PHE 63 HZ PHE 63 0.174 3.746 11.424 486 H LYS 64 H LYS 64 0.414 -3.433 11.191 487 HA LYS 64 HA LYS 64 -0.994 -5.746 10.015 488 HB2 LYS 64 1HB LYS 64 1.406 -5.991 9.350 489 HB3 LYS 64 2HB LYS 64 1.851 -5.950 11.058 490 HG2 LYS 64 1HG LYS 64 0.491 -7.945 11.485 491 HG3 LYS 64 2HG LYS 64 -0.026 -7.972 9.799 492 HD2 LYS 64 1HD LYS 64 2.321 -8.272 9.085 493 HD3 LYS 64 2HD LYS 64 2.832 -8.261 10.774 494 HE2 LYS 64 1HE LYS 64 2.623 -10.569 9.977 495 HE3 LYS 64 2HE LYS 64 1.400 -10.240 11.203 496 HZ1 LYS 64 3HZ LYS 64 0.840 -9.905 8.319 497 HZ2 LYS 64 1HZ LYS 64 -0.265 -10.064 9.596 498 HZ3 LYS 64 2HZ LYS 64 0.650 -11.404 9.094 499 H GLY 65 H GLY 65 -2.524 -5.675 11.620 500 HA2 GLY 65 1HA GLY 65 -3.426 -6.157 13.730 501 HA3 GLY 65 2HA GLY 65 -1.825 -6.709 14.223 502 H ASP 66 H ASP 66 -1.313 -5.602 16.044 503 HA ASP 66 HA ASP 66 -2.012 -2.713 16.251 504 HB2 ASP 66 1HB ASP 66 -1.370 -3.020 18.652 505 HB3 ASP 66 2HB ASP 66 -2.687 -4.078 18.148 506 H THR 67 H THR 67 0.381 -4.296 14.860 507 HA THR 67 HA THR 67 2.499 -2.413 15.843 508 HB THR 67 HB THR 67 2.867 -5.289 14.954 509 HG1 THR 67 HG1 THR 67 2.496 -5.603 16.988 510 HG21 THR 67 3HG2 THR 67 4.788 -3.074 15.683 511 HG22 THR 67 1HG2 THR 67 4.787 -4.087 14.239 512 HG23 THR 67 2HG2 THR 67 5.242 -4.774 15.798 513 H CYS 68 H CYS 68 3.485 -1.242 14.281 514 HA CYS 68 HA CYS 68 2.514 -1.522 11.532 515 HB2 CYS 68 1HB CYS 68 4.666 0.407 12.374 516 HB3 CYS 68 2HB CYS 68 3.393 0.614 11.168 517 HG CYS 68 HG CYS 68 2.654 0.467 14.202 518 H VAL 69 H VAL 69 3.557 -2.577 9.938 519 HA VAL 69 HA VAL 69 5.962 -4.069 10.424 520 HB VAL 69 HB VAL 69 4.606 -3.327 7.815 521 HG11 VAL 69 1HG1 VAL 69 6.828 -4.059 7.312 522 HG12 VAL 69 2HG1 VAL 69 5.778 -5.451 7.041 523 HG13 VAL 69 3HG1 VAL 69 6.744 -5.350 8.512 524 HG21 VAL 69 3HG2 VAL 69 3.279 -4.608 9.596 525 HG22 VAL 69 1HG2 VAL 69 4.426 -5.927 9.350 526 HG23 VAL 69 2HG2 VAL 69 3.412 -5.378 8.015 527 H SER 70 H SER 70 5.303 -1.059 8.612 528 HA SER 70 HA SER 70 7.597 0.338 9.241 529 HB2 SER 70 1HB SER 70 8.158 -1.785 7.216 530 HB3 SER 70 2HB SER 70 8.894 -0.209 6.940 531 HG SER 70 HG SER 70 10.027 -1.849 8.326 532 H THR 71 H THR 71 8.222 1.980 7.466 533 HA THR 71 HA THR 71 5.765 2.687 5.897 534 HB THR 71 HB THR 71 7.931 4.455 7.073 535 HG1 THR 71 HG1 THR 71 5.396 3.637 7.813 536 HG21 THR 71 3HG2 THR 71 7.246 5.455 5.012 537 HG22 THR 71 1HG2 THR 71 6.338 6.281 6.277 538 HG23 THR 71 2HG2 THR 71 5.555 5.043 5.295 539 H MET 72 H MET 72 5.975 2.797 3.732 540 HA MET 72 HA MET 72 8.373 1.945 2.419 541 HB2 MET 72 1HB MET 72 5.869 3.286 1.371 542 HB3 MET 72 2HB MET 72 7.140 2.625 0.340 543 HG2 MET 72 1HG MET 72 6.831 0.406 1.363 544 HG3 MET 72 2HG MET 72 5.569 1.060 2.405 545 HE1 MET 72 3HE MET 72 4.922 -1.272 1.205 546 HE2 MET 72 1HE MET 72 3.614 -1.190 0.016 547 HE3 MET 72 2HE MET 72 3.428 -0.420 1.586 548 H ASP 73 H ASP 73 10.160 3.201 2.566 549 HA ASP 73 HA ASP 73 9.925 6.134 1.980 550 HB2 ASP 73 1HB ASP 73 10.860 5.471 4.216 551 HB3 ASP 73 2HB ASP 73 12.170 4.646 3.372 552 H ASN 74 H ASN 74 11.480 3.101 1.125 553 HA ASN 74 HA ASN 74 13.280 4.414 -0.804 554 HB2 ASN 74 1HB ASN 74 14.052 2.444 0.470 555 HB3 ASN 74 2HB ASN 74 12.780 1.473 -0.269 556 HD21 ASN 74 2HD2 ASN 74 14.791 0.203 -1.078 557 HD22 ASN 74 1HD2 ASN 74 15.504 0.726 -2.527 558 H ASN 75 H ASN 75 12.294 5.153 -2.602 559 HA ASN 75 HA ASN 75 9.897 4.056 -3.744 560 HB2 ASN 75 1HB ASN 75 12.004 5.943 -4.810 561 HB3 ASN 75 2HB ASN 75 10.548 5.519 -5.711 562 HD21 ASN 75 2HD2 ASN 75 11.092 8.209 -4.790 563 HD22 ASN 75 1HD2 ASN 75 9.911 8.612 -3.638 564 H ASP 76 H ASP 76 13.337 3.571 -4.378 565 HA ASP 76 HA ASP 76 12.946 2.062 -6.815 566 HB2 ASP 76 1HB ASP 76 15.277 2.328 -4.901 567 HB3 ASP 76 2HB ASP 76 15.354 1.367 -6.377 568 H ALA 77 H ALA 77 12.120 1.299 -3.693 569 HA ALA 77 HA ALA 77 12.979 -1.515 -3.752 570 HB1 ALA 77 3HB ALA 77 11.248 0.045 -1.820 571 HB2 ALA 77 1HB ALA 77 12.929 -0.437 -1.595 572 HB3 ALA 77 2HB ALA 77 11.660 -1.658 -1.624 573 H GLN 78 H GLN 78 11.453 -3.288 -3.667 574 HA GLN 78 HA GLN 78 9.211 -2.891 -5.521 575 HB2 GLN 78 1HB GLN 78 10.388 -5.344 -4.197 576 HB3 GLN 78 2HB GLN 78 9.008 -5.395 -5.295 577 HG2 GLN 78 1HG GLN 78 10.352 -4.382 -7.075 578 HG3 GLN 78 2HG GLN 78 11.729 -4.248 -5.980 579 HE21 GLN 78 2HE2 GLN 78 10.462 -6.200 -8.389 580 HE22 GLN 78 1HE2 GLN 78 11.229 -7.659 -7.984 581 H LEU 79 H LEU 79 7.060 -3.676 -5.043 582 HA LEU 79 HA LEU 79 6.012 -2.754 -2.560 583 HB2 LEU 79 1HB LEU 79 4.627 -2.844 -4.564 584 HB3 LEU 79 2HB LEU 79 4.831 -4.591 -4.665 585 HG LEU 79 HG LEU 79 3.602 -4.910 -2.588 586 HD11 LEU 79 1HD1 LEU 79 2.475 -2.770 -1.626 587 HD12 LEU 79 2HD1 LEU 79 3.758 -1.900 -2.466 588 HD13 LEU 79 3HD1 LEU 79 4.160 -3.083 -1.219 589 HD21 LEU 79 3HD2 LEU 79 2.283 -4.711 -4.655 590 HD22 LEU 79 1HD2 LEU 79 2.199 -2.962 -4.444 591 HD23 LEU 79 2HD2 LEU 79 1.395 -4.029 -3.292 592 H GLY 80 H GLY 80 6.766 -6.026 -3.751 593 HA2 GLY 80 1HA GLY 80 5.746 -7.388 -1.434 594 HA3 GLY 80 2HA GLY 80 6.884 -8.068 -2.600 595 H TYR 81 H TYR 81 8.318 -5.291 -1.685 596 HA TYR 81 HA TYR 81 10.330 -6.584 -0.117 597 HB2 TYR 81 1HB TYR 81 10.655 -4.465 -1.419 598 HB3 TYR 81 2HB TYR 81 9.692 -3.623 -0.204 599 HD1 TYR 81 HD1 TYR 81 10.504 -3.440 2.142 600 HD2 TYR 81 HD2 TYR 81 12.908 -5.178 -0.962 601 HE1 TYR 81 HE1 TYR 81 12.512 -3.222 3.577 602 HE2 TYR 81 HE2 TYR 81 14.918 -4.961 0.473 603 HH TYR 81 HH TYR 81 15.672 -3.590 2.385 604 H TYR 82 H TYR 82 7.588 -4.500 0.776 605 HA TYR 82 HA TYR 82 8.060 -5.138 3.661 606 HB2 TYR 82 1HB TYR 82 6.316 -3.029 2.344 607 HB3 TYR 82 2HB TYR 82 6.488 -3.262 4.081 608 HD1 TYR 82 HD2 TYR 82 8.807 -3.040 5.123 609 HD2 TYR 82 HD1 TYR 82 7.908 -1.765 1.120 610 HE1 TYR 82 HE2 TYR 82 10.843 -1.626 5.116 611 HE2 TYR 82 HE1 TYR 82 9.945 -0.350 1.113 612 HH TYR 82 HH TYR 82 11.554 0.558 2.431 613 H ALA 83 H ALA 83 5.815 -5.497 0.996 614 HA ALA 83 HA ALA 83 3.846 -6.846 2.795 615 HB1 ALA 83 3HB ALA 83 3.143 -4.948 1.216 616 HB2 ALA 83 1HB ALA 83 2.200 -6.435 1.139 617 HB3 ALA 83 2HB ALA 83 3.411 -6.095 -0.096 618 H ASN 84 H ASN 84 5.461 -8.660 2.844 619 HA ASN 84 HA ASN 84 5.447 -10.314 0.356 620 HB2 ASN 84 1HB ASN 84 7.276 -11.556 1.382 621 HB3 ASN 84 2HB ASN 84 7.648 -9.834 1.447 622 HD21 ASN 84 2HD2 ASN 84 9.064 -11.136 3.283 623 HD22 ASN 84 1HD2 ASN 84 8.389 -11.035 4.837 624 H SER 85 H SER 85 3.411 -9.874 2.772 625 HA SER 85 HA SER 85 2.706 -12.774 2.949 626 HB2 SER 85 1HB SER 85 3.801 -12.117 5.072 627 HB3 SER 85 2HB SER 85 2.633 -10.813 5.264 628 HG SER 85 HG SER 85 2.264 -13.039 6.265 629 H ASP 86 H ASP 86 0.499 -13.188 2.969 630 HA ASP 86 HA ASP 86 -1.192 -11.040 1.920 631 HB2 ASP 86 1HB ASP 86 -1.256 -13.379 1.044 632 HB3 ASP 86 2HB ASP 86 -1.922 -13.898 2.592 633 H GLY 87 H GLY 87 -3.304 -10.521 2.839 634 HA2 GLY 87 1HA GLY 87 -4.867 -10.298 4.624 635 HA3 GLY 87 2HA GLY 87 -3.787 -11.230 5.662 636 H LEU 88 H LEU 88 -2.090 -8.851 3.981 637 HA LEU 88 HA LEU 88 -1.640 -7.333 6.428 638 HB2 LEU 88 1HB LEU 88 -0.647 -6.977 3.593 639 HB3 LEU 88 2HB LEU 88 -0.129 -5.973 4.946 640 HG LEU 88 HG LEU 88 0.130 -8.993 4.866 641 HD11 LEU 88 1HD1 LEU 88 2.333 -6.948 4.543 642 HD12 LEU 88 2HD1 LEU 88 1.526 -7.706 3.170 643 HD13 LEU 88 3HD1 LEU 88 2.438 -8.692 4.310 644 HD21 LEU 88 3HD2 LEU 88 0.214 -8.483 7.138 645 HD22 LEU 88 1HD2 LEU 88 0.838 -6.856 6.866 646 HD23 LEU 88 2HD2 LEU 88 1.906 -8.250 6.722 647 H ARG 89 H ARG 89 -1.988 -5.038 6.651 648 HA ARG 89 HA ARG 89 -4.230 -3.985 4.948 649 HB2 ARG 89 1HB ARG 89 -4.936 -4.534 7.272 650 HB3 ARG 89 2HB ARG 89 -3.703 -3.431 7.886 651 HG2 ARG 89 1HG ARG 89 -4.767 -1.561 6.667 652 HG3 ARG 89 2HG ARG 89 -5.997 -2.663 6.050 653 HD2 ARG 89 1HD ARG 89 -5.489 -2.161 8.997 654 HD3 ARG 89 2HD ARG 89 -6.740 -1.350 8.054 655 HE ARG 89 HE ARG 89 -7.089 -4.129 7.679 656 HH11 ARG 89 1HH2 ARG 89 -7.176 -1.753 10.183 657 HH12 ARG 89 2HH2 ARG 89 -8.366 -2.596 11.119 658 HH21 ARG 89 1HH1 ARG 89 -8.640 -5.233 8.888 659 HH22 ARG 89 2HH1 ARG 89 -9.194 -4.564 10.387 660 H LEU 90 H LEU 90 -3.772 -2.128 3.919 661 HA LEU 90 HA LEU 90 -1.313 -0.611 4.709 662 HB2 LEU 90 1HB LEU 90 -2.863 -0.530 2.102 663 HB3 LEU 90 2HB LEU 90 -1.302 0.223 2.423 664 HG LEU 90 HG LEU 90 -1.869 -2.758 2.478 665 HD11 LEU 90 1HD1 LEU 90 -0.165 -1.168 0.543 666 HD12 LEU 90 2HD1 LEU 90 -1.836 -1.623 0.214 667 HD13 LEU 90 3HD1 LEU 90 -0.609 -2.871 0.430 668 HD21 LEU 90 3HD2 LEU 90 -0.109 -2.435 4.018 669 HD22 LEU 90 1HD2 LEU 90 0.571 -1.090 3.102 670 HD23 LEU 90 2HD2 LEU 90 0.746 -2.743 2.511 671 H HIS 91 H HIS 91 -1.588 1.366 5.582 672 HA HIS 91 HA HIS 91 -4.315 2.593 5.491 673 HB2 HIS 91 1HB HIS 91 -3.382 2.123 7.734 674 HB3 HIS 91 2HB HIS 91 -1.984 3.130 7.357 675 HD1 HIS 91 HD1 HIS 91 -5.775 3.568 7.136 676 HD2 HIS 91 HD2 HIS 91 -2.379 5.678 8.314 677 HE1 HIS 91 HE1 HIS 91 -6.582 5.827 7.947 678 H VAL 92 H VAL 92 -4.479 4.106 3.920 679 HA VAL 92 HA VAL 92 -2.077 5.566 3.009 680 HB VAL 92 HB VAL 92 -4.958 5.580 2.063 681 HG11 VAL 92 1HG1 VAL 92 -3.898 6.753 0.058 682 HG12 VAL 92 2HG1 VAL 92 -2.496 7.038 1.091 683 HG13 VAL 92 3HG1 VAL 92 -4.064 7.721 1.522 684 HG21 VAL 92 3HG2 VAL 92 -2.414 4.270 1.087 685 HG22 VAL 92 1HG2 VAL 92 -3.818 4.490 0.041 686 HG23 VAL 92 2HG2 VAL 92 -3.947 3.498 1.494 687 H VAL 93 H VAL 93 -1.602 7.583 3.685 688 HA VAL 93 HA VAL 93 -3.622 9.054 5.333 689 HB VAL 93 HB VAL 93 -0.598 9.246 5.255 690 HG11 VAL 93 1HG1 VAL 93 -1.506 11.415 5.790 691 HG12 VAL 93 2HG1 VAL 93 -0.996 10.675 7.308 692 HG13 VAL 93 3HG1 VAL 93 -2.705 10.707 6.872 693 HG21 VAL 93 3HG2 VAL 93 -1.236 7.226 6.368 694 HG22 VAL 93 1HG2 VAL 93 -2.595 8.014 7.171 695 HG23 VAL 93 2HG2 VAL 93 -0.942 8.398 7.652 696 H ASP 94 H ASP 94 -4.693 10.351 3.897 697 HA ASP 94 HA ASP 94 -3.127 11.871 1.871 698 HB2 ASP 94 1HB ASP 94 -5.235 10.594 1.259 699 HB3 ASP 94 2HB ASP 94 -6.131 11.770 2.220 700 H SER 95 H SER 95 -2.365 13.781 2.620 701 HA SER 95 HA SER 95 -4.194 15.767 3.693 702 HB2 SER 95 1HB SER 95 -2.838 16.103 5.812 703 HB3 SER 95 2HB SER 95 -3.815 14.637 5.792 704 HG SER 95 HG SER 95 -1.338 14.700 6.314 Start of MODEL 20 1 H1 MET 1 1H MET 1 9.779 -27.604 -18.049 2 H2 MET 1 2H MET 1 11.001 -26.423 -18.055 3 H3 MET 1 3H MET 1 10.727 -27.358 -16.664 4 HA MET 1 HA MET 1 11.566 -29.304 -17.658 5 HB2 MET 1 1HB MET 1 12.360 -29.110 -20.107 6 HB3 MET 1 2HB MET 1 10.621 -29.230 -19.838 7 HG2 MET 1 1HG MET 1 10.403 -26.790 -20.013 8 HG3 MET 1 2HG MET 1 12.146 -26.636 -20.227 9 HE1 MET 1 3HE MET 1 9.959 -25.480 -22.600 10 HE2 MET 1 1HE MET 1 11.334 -25.705 -23.690 11 HE3 MET 1 2HE MET 1 11.601 -25.211 -22.020 12 H GLY 2 H GLY 2 12.469 -26.077 -17.391 13 HA2 GLY 2 1HA GLY 2 15.246 -26.265 -18.159 14 HA3 GLY 2 2HA GLY 2 14.542 -25.001 -17.152 15 H HIS 3 H HIS 3 17.065 -26.583 -16.834 16 HA HIS 3 HA HIS 3 16.753 -28.412 -14.637 17 HB2 HIS 3 1HB HIS 3 19.109 -26.807 -15.656 18 HB3 HIS 3 2HB HIS 3 19.236 -27.939 -14.309 19 HD1 HIS 3 HD1 HIS 3 18.329 -27.857 -17.993 20 HD2 HIS 3 HD2 HIS 3 19.387 -30.627 -15.064 21 HE1 HIS 3 HE1 HIS 3 18.661 -30.066 -19.184 22 H HIS 4 H HIS 4 17.398 -24.925 -14.837 23 HA HIS 4 HA HIS 4 17.860 -24.519 -12.036 24 HB2 HIS 4 1HB HIS 4 16.841 -22.659 -14.200 25 HB3 HIS 4 2HB HIS 4 17.228 -22.130 -12.564 26 HD1 HIS 4 HD1 HIS 4 18.828 -23.479 -15.696 27 HD2 HIS 4 HD2 HIS 4 19.993 -21.965 -11.992 28 HE1 HIS 4 HE1 HIS 4 21.329 -23.109 -15.829 29 H HIS 5 H HIS 5 14.906 -24.384 -14.022 30 HA HIS 5 HA HIS 5 13.259 -23.719 -11.678 31 HB2 HIS 5 1HB HIS 5 12.549 -24.384 -14.550 32 HB3 HIS 5 2HB HIS 5 11.372 -23.933 -13.315 33 HD1 HIS 5 HD1 HIS 5 13.580 -22.488 -15.805 34 HD2 HIS 5 HD2 HIS 5 12.015 -21.238 -12.149 35 HE1 HIS 5 HE1 HIS 5 13.862 -19.971 -15.729 36 H HIS 6 H HIS 6 12.320 -25.209 -10.376 37 HA HIS 6 HA HIS 6 11.667 -27.899 -11.423 38 HB2 HIS 6 1HB HIS 6 14.023 -28.007 -10.518 39 HB3 HIS 6 2HB HIS 6 13.374 -27.564 -8.938 40 HD1 HIS 6 HD1 HIS 6 12.011 -29.337 -7.661 41 HD2 HIS 6 HD2 HIS 6 13.274 -30.629 -11.418 42 HE1 HIS 6 HE1 HIS 6 11.561 -31.829 -7.751 43 H HIS 7 H HIS 7 10.276 -25.449 -10.350 44 HA HIS 7 HA HIS 7 8.477 -26.892 -8.509 45 HB2 HIS 7 1HB HIS 7 10.143 -25.883 -6.988 46 HB3 HIS 7 2HB HIS 7 9.847 -24.302 -7.711 47 HD1 HIS 7 HD1 HIS 7 7.886 -27.043 -5.923 48 HD2 HIS 7 HD2 HIS 7 7.790 -22.914 -6.492 49 HE1 HIS 7 HE1 HIS 7 5.988 -26.167 -4.492 50 H HIS 8 H HIS 8 6.841 -26.626 -10.063 51 HA HIS 8 HA HIS 8 5.309 -25.493 -11.457 52 HB2 HIS 8 1HB HIS 8 4.466 -25.133 -9.110 53 HB3 HIS 8 2HB HIS 8 5.296 -23.576 -9.109 54 HD1 HIS 8 HD1 HIS 8 2.671 -25.439 -11.156 55 HD2 HIS 8 HD2 HIS 8 3.816 -21.535 -10.258 56 HE1 HIS 8 HE1 HIS 8 0.937 -23.924 -12.211 57 H SER 9 H SER 9 6.612 -24.746 -13.174 58 HA SER 9 HA SER 9 8.327 -22.466 -13.052 59 HB2 SER 9 1HB SER 9 6.906 -23.729 -15.410 60 HB3 SER 9 2HB SER 9 8.186 -22.526 -15.542 61 HG SER 9 HG SER 9 8.322 -25.125 -14.405 62 H HIS 10 H HIS 10 7.990 -20.309 -13.709 63 HA HIS 10 HA HIS 10 6.786 -18.309 -13.845 64 HB2 HIS 10 1HB HIS 10 4.881 -20.107 -15.381 65 HB3 HIS 10 2HB HIS 10 4.843 -18.344 -15.386 66 HD1 HIS 10 HD1 HIS 10 7.138 -17.163 -16.252 67 HD2 HIS 10 HD2 HIS 10 6.669 -21.192 -17.213 68 HE1 HIS 10 HE1 HIS 10 8.806 -17.659 -18.092 69 H GLY 11 H GLY 11 6.188 -17.838 -11.755 70 HA2 GLY 11 1HA GLY 11 4.276 -19.250 -10.200 71 HA3 GLY 11 2HA GLY 11 4.776 -17.588 -9.905 72 H LYS 12 H LYS 12 2.195 -19.538 -10.831 73 HA LYS 12 HA LYS 12 0.772 -17.802 -12.612 74 HB2 LYS 12 1HB LYS 12 0.207 -20.206 -12.195 75 HB3 LYS 12 2HB LYS 12 -0.367 -19.751 -10.592 76 HG2 LYS 12 1HG LYS 12 -2.063 -18.292 -11.563 77 HG3 LYS 12 2HG LYS 12 -1.440 -18.600 -13.182 78 HD2 LYS 12 1HD LYS 12 -3.318 -20.047 -12.959 79 HD3 LYS 12 2HD LYS 12 -1.907 -21.078 -12.739 80 HE2 LYS 12 1HE LYS 12 -2.198 -21.138 -10.368 81 HE3 LYS 12 2HE LYS 12 -3.363 -19.814 -10.404 82 HZ1 LYS 12 3HZ LYS 12 -5.018 -21.178 -10.997 83 HZ2 LYS 12 1HZ LYS 12 -4.026 -22.402 -10.370 84 HZ3 LYS 12 2HZ LYS 12 -4.044 -22.099 -12.042 85 H SER 13 H SER 13 0.727 -18.138 -9.057 86 HA SER 13 HA SER 13 -1.051 -15.765 -8.846 87 HB2 SER 13 1HB SER 13 0.085 -17.435 -6.594 88 HB3 SER 13 2HB SER 13 -1.315 -16.367 -6.549 89 HG SER 13 HG SER 13 -1.742 -18.054 -8.503 90 H ASP 14 H ASP 14 0.323 -14.035 -9.358 91 HA ASP 14 HA ASP 14 2.768 -13.673 -7.662 92 HB2 ASP 14 1HB ASP 14 1.941 -12.529 -10.339 93 HB3 ASP 14 2HB ASP 14 3.279 -11.867 -9.398 94 H PHE 15 H PHE 15 -0.230 -13.103 -7.136 95 HA PHE 15 HA PHE 15 0.120 -10.242 -6.290 96 HB2 PHE 15 1HB PHE 15 -2.596 -11.440 -6.816 97 HB3 PHE 15 2HB PHE 15 -2.095 -9.750 -6.865 98 HD1 PHE 15 HD1 PHE 15 -1.734 -13.023 -8.604 99 HD2 PHE 15 HD2 PHE 15 -1.375 -8.753 -8.899 100 HE1 PHE 15 HE1 PHE 15 -1.379 -13.223 -11.049 101 HE2 PHE 15 HE2 PHE 15 -1.018 -8.952 -11.346 102 HZ PHE 15 HZ PHE 15 -1.022 -11.187 -12.421 103 H ILE 16 H ILE 16 -1.063 -9.709 -4.291 104 HA ILE 16 HA ILE 16 -1.571 -12.095 -2.537 105 HB ILE 16 HB ILE 16 -0.641 -10.759 -0.663 106 HG12 ILE 16 1HG1 ILE 16 0.210 -8.823 -2.841 107 HG13 ILE 16 2HG1 ILE 16 -1.085 -8.516 -1.685 108 HG21 ILE 16 1HG2 ILE 16 1.310 -10.944 -2.972 109 HG22 ILE 16 2HG2 ILE 16 0.765 -12.336 -2.037 110 HG23 ILE 16 3HG2 ILE 16 1.682 -11.051 -1.251 111 HD11 ILE 16 3HD1 ILE 16 0.887 -7.465 -0.808 112 HD12 ILE 16 1HD1 ILE 16 1.854 -8.914 -1.085 113 HD13 ILE 16 2HD1 ILE 16 0.605 -8.912 0.161 114 H LYS 17 H LYS 17 -3.085 -11.650 -0.765 115 HA LYS 17 HA LYS 17 -5.219 -9.768 -1.630 116 HB2 LYS 17 1HB LYS 17 -5.522 -12.292 -0.977 117 HB3 LYS 17 2HB LYS 17 -5.423 -11.702 0.679 118 HG2 LYS 17 1HG LYS 17 -7.324 -10.225 0.322 119 HG3 LYS 17 2HG LYS 17 -7.364 -10.630 -1.393 120 HD2 LYS 17 1HD LYS 17 -9.064 -11.969 -0.389 121 HD3 LYS 17 2HD LYS 17 -7.713 -13.058 -0.681 122 HE2 LYS 17 1HE LYS 17 -7.061 -13.024 1.620 123 HE3 LYS 17 2HE LYS 17 -8.116 -11.654 1.972 124 HZ1 LYS 17 3HZ LYS 17 -9.907 -12.967 2.124 125 HZ2 LYS 17 1HZ LYS 17 -8.781 -14.209 2.383 126 HZ3 LYS 17 2HZ LYS 17 -9.432 -13.964 0.832 127 H VAL 18 H VAL 18 -5.215 -7.783 -0.702 128 HA VAL 18 HA VAL 18 -4.568 -7.550 2.200 129 HB VAL 18 HB VAL 18 -3.213 -5.504 1.702 130 HG11 VAL 18 1HG1 VAL 18 -1.212 -6.725 1.031 131 HG12 VAL 18 2HG1 VAL 18 -2.195 -8.022 0.348 132 HG13 VAL 18 3HG1 VAL 18 -2.180 -7.750 2.091 133 HG21 VAL 18 3HG2 VAL 18 -2.422 -5.167 -0.603 134 HG22 VAL 18 1HG2 VAL 18 -4.182 -5.070 -0.545 135 HG23 VAL 18 2HG2 VAL 18 -3.398 -6.530 -1.151 136 H ASN 19 H ASN 19 -5.295 -5.435 3.075 137 HA ASN 19 HA ASN 19 -7.744 -4.458 1.639 138 HB2 ASN 19 1HB ASN 19 -8.152 -5.491 3.852 139 HB3 ASN 19 2HB ASN 19 -7.028 -4.351 4.589 140 HD21 ASN 19 2HD2 ASN 19 -10.282 -4.742 3.371 141 HD22 ASN 19 1HD2 ASN 19 -10.813 -3.171 3.725 142 H VAL 20 H VAL 20 -8.056 -2.182 1.486 143 HA VAL 20 HA VAL 20 -5.661 -0.497 2.184 144 HB VAL 20 HB VAL 20 -7.446 -0.408 -0.267 145 HG11 VAL 20 1HG1 VAL 20 -5.915 1.564 -0.875 146 HG12 VAL 20 2HG1 VAL 20 -5.483 1.614 0.834 147 HG13 VAL 20 3HG1 VAL 20 -7.154 1.882 0.339 148 HG21 VAL 20 3HG2 VAL 20 -5.471 -1.995 -0.184 149 HG22 VAL 20 1HG2 VAL 20 -4.430 -0.583 -0.010 150 HG23 VAL 20 2HG2 VAL 20 -5.391 -0.795 -1.473 151 H SER 21 H SER 21 -6.102 1.251 3.407 152 HA SER 21 HA SER 21 -8.936 2.203 3.625 153 HB2 SER 21 1HB SER 21 -6.972 1.654 5.866 154 HB3 SER 21 2HB SER 21 -8.444 2.599 6.074 155 HG SER 21 HG SER 21 -9.637 0.833 5.765 156 H ASN 22 H ASN 22 -9.085 4.464 4.311 157 HA ASN 22 HA ASN 22 -6.560 6.038 3.923 158 HB2 ASN 22 1HB ASN 22 -7.893 6.057 1.830 159 HB3 ASN 22 2HB ASN 22 -9.274 6.679 2.734 160 HD21 ASN 22 2HD2 ASN 22 -8.191 8.225 0.622 161 HD22 ASN 22 1HD2 ASN 22 -7.424 9.593 1.272 162 H SER 23 H SER 23 -6.286 7.574 5.442 163 HA SER 23 HA SER 23 -8.001 7.771 7.712 164 HB2 SER 23 1HB SER 23 -5.727 8.405 8.006 165 HB3 SER 23 2HB SER 23 -5.782 9.524 6.647 166 HG SER 23 HG SER 23 -7.266 9.758 9.060 167 H HIS 24 H HIS 24 -7.650 9.868 4.851 168 HA HIS 24 HA HIS 24 -9.627 11.780 5.772 169 HB2 HIS 24 1HB HIS 24 -8.270 11.268 3.124 170 HB3 HIS 24 2HB HIS 24 -9.514 12.504 3.298 171 HD1 HIS 24 HD1 HIS 24 -6.270 11.511 5.064 172 HD2 HIS 24 HD2 HIS 24 -8.478 14.917 4.114 173 HE1 HIS 24 HE1 HIS 24 -4.896 13.495 5.834 174 H ASN 25 H ASN 25 -10.095 10.643 2.541 175 HA ASN 25 HA ASN 25 -12.892 10.433 2.769 176 HB2 ASN 25 1HB ASN 25 -12.841 9.316 0.607 177 HB3 ASN 25 2HB ASN 25 -11.626 10.594 0.620 178 HD21 ASN 25 2HD2 ASN 25 -9.813 9.830 -0.479 179 HD22 ASN 25 1HD2 ASN 25 -9.140 8.285 -0.289 180 H ASP 26 H ASP 26 -14.277 8.540 2.735 181 HA ASP 26 HA ASP 26 -13.284 6.413 4.530 182 HB2 ASP 26 1HB ASP 26 -15.688 5.704 4.526 183 HB3 ASP 26 2HB ASP 26 -15.459 7.375 5.044 184 H ALA 27 H ALA 27 -13.081 6.891 1.319 185 HA ALA 27 HA ALA 27 -14.151 4.583 0.080 186 HB1 ALA 27 3HB ALA 27 -12.584 4.985 -1.692 187 HB2 ALA 27 1HB ALA 27 -11.474 5.823 -0.608 188 HB3 ALA 27 2HB ALA 27 -13.012 6.568 -1.046 189 H VAL 28 H VAL 28 -13.830 2.537 0.834 190 HA VAL 28 HA VAL 28 -11.038 1.716 1.587 191 HB VAL 28 HB VAL 28 -13.688 0.944 2.844 192 HG11 VAL 28 1HG1 VAL 28 -12.148 -0.497 4.332 193 HG12 VAL 28 2HG1 VAL 28 -10.957 -0.339 3.042 194 HG13 VAL 28 3HG1 VAL 28 -12.506 -1.115 2.719 195 HG21 VAL 28 3HG2 VAL 28 -12.835 1.952 4.813 196 HG22 VAL 28 1HG2 VAL 28 -12.366 3.066 3.530 197 HG23 VAL 28 2HG2 VAL 28 -11.182 1.950 4.203 198 H ALA 29 H ALA 29 -10.281 -0.025 0.489 199 HA ALA 29 HA ALA 29 -12.163 -1.459 -1.346 200 HB1 ALA 29 3HB ALA 29 -10.269 -1.977 -2.688 201 HB2 ALA 29 1HB ALA 29 -9.140 -1.590 -1.389 202 HB3 ALA 29 2HB ALA 29 -10.027 -0.300 -2.201 203 H PHE 30 H PHE 30 -12.500 -3.651 -1.074 204 HA PHE 30 HA PHE 30 -11.065 -4.977 1.208 205 HB2 PHE 30 1HB PHE 30 -13.864 -5.305 0.103 206 HB3 PHE 30 2HB PHE 30 -13.133 -6.484 1.194 207 HD1 PHE 30 HD1 PHE 30 -12.365 -5.757 3.478 208 HD2 PHE 30 HD2 PHE 30 -14.683 -3.207 0.914 209 HE1 PHE 30 HE1 PHE 30 -12.930 -4.321 5.419 210 HE2 PHE 30 HE2 PHE 30 -15.249 -1.770 2.856 211 HZ PHE 30 HZ PHE 30 -14.371 -2.327 5.108 212 H GLU 31 H GLU 31 -9.973 -6.823 0.808 213 HA GLU 31 HA GLU 31 -8.939 -8.528 -0.403 214 HB2 GLU 31 1HB GLU 31 -11.720 -8.634 -1.601 215 HB3 GLU 31 2HB GLU 31 -10.481 -9.861 -1.859 216 HG2 GLU 31 1HG GLU 31 -10.355 -10.269 0.561 217 HG3 GLU 31 2HG GLU 31 -11.562 -9.017 0.844 218 H VAL 32 H VAL 32 -8.151 -6.110 -1.413 219 HA VAL 32 HA VAL 32 -8.576 -6.191 -4.357 220 HB VAL 32 HB VAL 32 -8.541 -4.015 -3.003 221 HG11 VAL 32 1HG1 VAL 32 -6.488 -3.129 -2.244 222 HG12 VAL 32 2HG1 VAL 32 -5.541 -4.321 -3.135 223 HG13 VAL 32 3HG1 VAL 32 -6.453 -4.807 -1.707 224 HG21 VAL 32 3HG2 VAL 32 -8.305 -4.094 -5.464 225 HG22 VAL 32 1HG2 VAL 32 -6.566 -4.323 -5.286 226 HG23 VAL 32 2HG2 VAL 32 -7.312 -2.811 -4.771 227 H LYS 33 H LYS 33 -7.200 -7.358 -5.604 228 HA LYS 33 HA LYS 33 -4.701 -8.394 -4.403 229 HB2 LYS 33 1HB LYS 33 -4.607 -9.813 -6.415 230 HB3 LYS 33 2HB LYS 33 -6.186 -9.932 -5.636 231 HG2 LYS 33 1HG LYS 33 -7.058 -8.224 -7.238 232 HG3 LYS 33 2HG LYS 33 -5.498 -8.246 -8.061 233 HD2 LYS 33 1HD LYS 33 -5.760 -10.651 -8.520 234 HD3 LYS 33 2HD LYS 33 -7.318 -10.641 -7.692 235 HE2 LYS 33 1HE LYS 33 -8.181 -9.006 -9.324 236 HE3 LYS 33 2HE LYS 33 -6.625 -9.014 -10.156 237 HZ1 LYS 33 3HZ LYS 33 -6.896 -11.337 -10.638 238 HZ2 LYS 33 1HZ LYS 33 -8.263 -10.498 -11.189 239 HZ3 LYS 33 2HZ LYS 33 -8.344 -11.402 -9.752 240 H LEU 34 H LEU 34 -2.665 -7.773 -5.031 241 HA LEU 34 HA LEU 34 -2.378 -5.911 -7.354 242 HB2 LEU 34 1HB LEU 34 -1.265 -5.495 -4.563 243 HB3 LEU 34 2HB LEU 34 -0.802 -4.541 -5.969 244 HG LEU 34 HG LEU 34 -3.653 -4.813 -4.968 245 HD11 LEU 34 1HD1 LEU 34 -2.089 -3.653 -3.364 246 HD12 LEU 34 2HD1 LEU 34 -3.396 -2.633 -3.965 247 HD13 LEU 34 3HD1 LEU 34 -1.770 -2.463 -4.626 248 HD21 LEU 34 3HD2 LEU 34 -2.315 -3.278 -7.193 249 HD22 LEU 34 1HD2 LEU 34 -3.731 -2.585 -6.405 250 HD23 LEU 34 2HD2 LEU 34 -3.849 -4.148 -7.203 251 H ALA 35 H ALA 35 -0.444 -6.155 -8.474 252 HA ALA 35 HA ALA 35 0.963 -8.656 -8.074 253 HB1 ALA 35 3HB ALA 35 1.049 -6.399 -10.025 254 HB2 ALA 35 1HB ALA 35 0.973 -8.132 -10.326 255 HB3 ALA 35 2HB ALA 35 2.509 -7.381 -9.899 256 H LYS 36 H LYS 36 2.825 -9.012 -6.964 257 HA LYS 36 HA LYS 36 3.866 -7.057 -5.151 258 HB2 LYS 36 1HB LYS 36 5.017 -9.679 -6.129 259 HB3 LYS 36 2HB LYS 36 5.671 -8.750 -4.780 260 HG2 LYS 36 1HG LYS 36 3.427 -8.874 -3.674 261 HG3 LYS 36 2HG LYS 36 2.889 -9.935 -4.973 262 HD2 LYS 36 1HD LYS 36 5.288 -10.521 -3.219 263 HD3 LYS 36 2HD LYS 36 3.670 -11.139 -2.895 264 HE2 LYS 36 1HE LYS 36 3.732 -12.087 -5.286 265 HE3 LYS 36 2HE LYS 36 5.464 -11.756 -5.246 266 HZ1 LYS 36 3HZ LYS 36 5.291 -13.921 -4.482 267 HZ2 LYS 36 1HZ LYS 36 3.907 -13.602 -3.554 268 HZ3 LYS 36 2HZ LYS 36 5.419 -13.016 -3.049 269 H ASP 37 H ASP 37 4.968 -8.200 -8.319 270 HA ASP 37 HA ASP 37 7.505 -6.918 -8.337 271 HB2 ASP 37 1HB ASP 37 6.663 -8.629 -9.993 272 HB3 ASP 37 2HB ASP 37 5.699 -7.349 -10.730 273 H LEU 38 H LEU 38 4.590 -5.421 -7.956 274 HA LEU 38 HA LEU 38 4.978 -3.158 -9.753 275 HB2 LEU 38 1HB LEU 38 3.184 -3.545 -7.343 276 HB3 LEU 38 2HB LEU 38 3.158 -2.112 -8.370 277 HG LEU 38 HG LEU 38 2.729 -4.936 -9.377 278 HD11 LEU 38 1HD1 LEU 38 0.764 -2.767 -8.596 279 HD12 LEU 38 2HD1 LEU 38 0.888 -4.395 -7.927 280 HD13 LEU 38 3HD1 LEU 38 0.323 -4.163 -9.582 281 HD21 LEU 38 3HD2 LEU 38 1.620 -3.427 -11.275 282 HD22 LEU 38 1HD2 LEU 38 3.354 -3.733 -11.276 283 HD23 LEU 38 2HD2 LEU 38 2.729 -2.207 -10.653 284 H THR 39 H THR 39 5.853 -1.151 -9.249 285 HA THR 39 HA THR 39 7.681 -1.108 -6.951 286 HB THR 39 HB THR 39 8.261 1.185 -7.944 287 HG1 THR 39 HG1 THR 39 7.407 1.641 -9.907 288 HG21 THR 39 3HG2 THR 39 8.503 -1.258 -9.721 289 HG22 THR 39 1HG2 THR 39 9.565 -0.878 -8.364 290 HG23 THR 39 2HG2 THR 39 9.533 0.173 -9.779 291 H VAL 40 H VAL 40 7.755 0.841 -5.546 292 HA VAL 40 HA VAL 40 5.232 1.304 -4.270 293 HB VAL 40 HB VAL 40 7.900 2.715 -4.061 294 HG11 VAL 40 1HG1 VAL 40 5.339 3.055 -2.494 295 HG12 VAL 40 2HG1 VAL 40 6.312 4.302 -3.275 296 HG13 VAL 40 3HG1 VAL 40 6.912 3.493 -1.826 297 HG21 VAL 40 3HG2 VAL 40 7.679 0.276 -3.385 298 HG22 VAL 40 1HG2 VAL 40 6.543 0.807 -2.145 299 HG23 VAL 40 2HG2 VAL 40 8.216 1.362 -2.103 300 H ALA 41 H ALA 41 7.213 3.322 -6.453 301 HA ALA 41 HA ALA 41 5.564 5.639 -6.378 302 HB1 ALA 41 3HB ALA 41 7.038 4.684 -8.840 303 HB2 ALA 41 1HB ALA 41 7.884 5.356 -7.445 304 HB3 ALA 41 2HB ALA 41 6.724 6.345 -8.332 305 H GLN 42 H GLN 42 5.421 2.757 -8.478 306 HA GLN 42 HA GLN 42 3.233 3.698 -10.083 307 HB2 GLN 42 1HB GLN 42 4.208 0.907 -9.425 308 HB3 GLN 42 2HB GLN 42 2.919 1.237 -10.584 309 HG2 GLN 42 1HG GLN 42 4.421 2.591 -11.940 310 HG3 GLN 42 2HG GLN 42 5.708 2.415 -10.749 311 HE21 GLN 42 2HE2 GLN 42 4.770 1.221 -13.686 312 HE22 GLN 42 1HE2 GLN 42 5.429 -0.341 -13.591 313 H LEU 43 H LEU 43 3.409 1.916 -7.028 314 HA LEU 43 HA LEU 43 0.640 1.263 -6.827 315 HB2 LEU 43 1HB LEU 43 2.321 0.253 -5.359 316 HB3 LEU 43 2HB LEU 43 2.677 1.826 -4.649 317 HG LEU 43 HG LEU 43 0.417 1.966 -3.726 318 HD11 LEU 43 1HD1 LEU 43 -0.959 -0.263 -3.910 319 HD12 LEU 43 2HD1 LEU 43 0.013 -0.539 -5.356 320 HD13 LEU 43 3HD1 LEU 43 -1.015 0.888 -5.243 321 HD21 LEU 43 3HD2 LEU 43 0.649 0.292 -2.036 322 HD22 LEU 43 1HD2 LEU 43 2.290 0.651 -2.571 323 HD23 LEU 43 2HD2 LEU 43 1.477 -0.807 -3.139 324 H LYS 44 H LYS 44 2.472 4.140 -5.782 325 HA LYS 44 HA LYS 44 0.310 5.471 -4.478 326 HB2 LYS 44 1HB LYS 44 2.737 6.558 -5.930 327 HB3 LYS 44 2HB LYS 44 1.614 7.572 -5.025 328 HG2 LYS 44 1HG LYS 44 2.069 6.260 -2.984 329 HG3 LYS 44 2HG LYS 44 3.198 5.249 -3.888 330 HD2 LYS 44 1HD LYS 44 4.594 7.206 -4.383 331 HD3 LYS 44 2HD LYS 44 3.456 8.250 -3.532 332 HE2 LYS 44 1HE LYS 44 3.877 7.012 -1.441 333 HE3 LYS 44 2HE LYS 44 5.015 5.966 -2.288 334 HZ1 LYS 44 3HZ LYS 44 6.595 7.510 -2.192 335 HZ2 LYS 44 1HZ LYS 44 5.622 8.313 -1.059 336 HZ3 LYS 44 2HZ LYS 44 5.549 8.748 -2.699 337 H THR 45 H THR 45 1.351 5.416 -7.867 338 HA THR 45 HA THR 45 -0.414 7.417 -8.852 339 HB THR 45 HB THR 45 0.423 4.909 -10.328 340 HG1 THR 45 HG1 THR 45 2.368 5.596 -10.068 341 HG21 THR 45 3HG2 THR 45 0.062 7.728 -11.355 342 HG22 THR 45 1HG2 THR 45 -1.246 6.544 -11.345 343 HG23 THR 45 2HG2 THR 45 0.210 6.242 -12.295 344 H LYS 46 H LYS 46 -0.867 3.880 -8.567 345 HA LYS 46 HA LYS 46 -3.519 3.851 -9.644 346 HB2 LYS 46 1HB LYS 46 -2.117 1.982 -7.711 347 HB3 LYS 46 2HB LYS 46 -3.696 1.648 -8.429 348 HG2 LYS 46 1HG LYS 46 -2.720 1.796 -10.682 349 HG3 LYS 46 2HG LYS 46 -1.143 2.163 -9.984 350 HD2 LYS 46 1HD LYS 46 -1.160 -0.024 -8.820 351 HD3 LYS 46 2HD LYS 46 -2.715 -0.397 -9.564 352 HE2 LYS 46 1HE LYS 46 -0.202 0.251 -11.131 353 HE3 LYS 46 2HE LYS 46 -0.752 -1.389 -10.785 354 HZ1 LYS 46 3HZ LYS 46 -2.830 -0.891 -11.915 355 HZ2 LYS 46 1HZ LYS 46 -1.510 -0.655 -12.953 356 HZ3 LYS 46 2HZ LYS 46 -2.290 0.683 -12.255 357 H LEU 47 H LEU 47 -2.312 4.105 -6.300 358 HA LEU 47 HA LEU 47 -4.902 4.202 -5.064 359 HB2 LEU 47 1HB LEU 47 -2.220 5.316 -4.194 360 HB3 LEU 47 2HB LEU 47 -3.649 5.293 -3.166 361 HG LEU 47 HG LEU 47 -2.484 2.808 -4.454 362 HD11 LEU 47 1HD1 LEU 47 -1.476 2.332 -2.258 363 HD12 LEU 47 2HD1 LEU 47 -2.064 3.878 -1.647 364 HD13 LEU 47 3HD1 LEU 47 -0.847 3.840 -2.921 365 HD21 LEU 47 3HD2 LEU 47 -3.789 1.828 -2.382 366 HD22 LEU 47 1HD2 LEU 47 -4.687 2.277 -3.828 367 HD23 LEU 47 2HD2 LEU 47 -4.664 3.356 -2.433 368 H GLU 48 H GLU 48 -2.739 6.695 -6.354 369 HA GLU 48 HA GLU 48 -4.009 9.026 -5.479 370 HB2 GLU 48 1HB GLU 48 -1.934 8.887 -6.909 371 HB3 GLU 48 2HB GLU 48 -2.977 8.562 -8.293 372 HG2 GLU 48 1HG GLU 48 -4.141 10.711 -7.921 373 HG3 GLU 48 2HG GLU 48 -3.082 11.035 -6.547 374 H ILE 49 H ILE 49 -4.802 7.096 -8.382 375 HA ILE 49 HA ILE 49 -7.077 8.677 -9.133 376 HB ILE 49 HB ILE 49 -6.373 5.778 -9.675 377 HG12 ILE 49 1HG1 ILE 49 -6.264 8.186 -11.510 378 HG13 ILE 49 2HG1 ILE 49 -4.882 7.653 -10.549 379 HG21 ILE 49 1HG2 ILE 49 -8.031 6.108 -11.597 380 HG22 ILE 49 2HG2 ILE 49 -8.604 7.532 -10.726 381 HG23 ILE 49 3HG2 ILE 49 -8.736 5.934 -9.990 382 HD11 ILE 49 3HD1 ILE 49 -4.746 5.579 -11.691 383 HD12 ILE 49 1HD1 ILE 49 -5.037 6.765 -12.964 384 HD13 ILE 49 2HD1 ILE 49 -6.361 5.757 -12.379 385 H LEU 50 H LEU 50 -6.755 5.737 -7.146 386 HA LEU 50 HA LEU 50 -9.535 5.333 -6.684 387 HB2 LEU 50 1HB LEU 50 -7.789 3.644 -6.192 388 HB3 LEU 50 2HB LEU 50 -7.198 4.655 -4.876 389 HG LEU 50 HG LEU 50 -9.394 4.467 -3.745 390 HD11 LEU 50 1HD1 LEU 50 -10.067 2.957 -6.262 391 HD12 LEU 50 2HD1 LEU 50 -11.031 4.141 -5.378 392 HD13 LEU 50 3HD1 LEU 50 -10.858 2.505 -4.751 393 HD21 LEU 50 3HD2 LEU 50 -7.692 2.857 -3.139 394 HD22 LEU 50 1HD2 LEU 50 -8.055 1.870 -4.555 395 HD23 LEU 50 2HD2 LEU 50 -9.228 1.998 -3.244 396 H THR 51 H THR 51 -7.123 7.218 -4.831 397 HA THR 51 HA THR 51 -9.262 8.119 -2.977 398 HB THR 51 HB THR 51 -7.391 9.230 -1.776 399 HG1 THR 51 HG1 THR 51 -5.886 9.701 -3.218 400 HG21 THR 51 3HG2 THR 51 -7.979 6.897 -1.247 401 HG22 THR 51 1HG2 THR 51 -6.243 7.158 -1.078 402 HG23 THR 51 2HG2 THR 51 -6.877 6.332 -2.502 403 H GLY 52 H GLY 52 -7.711 9.159 -5.855 404 HA2 GLY 52 1HA GLY 52 -7.992 11.133 -7.095 405 HA3 GLY 52 2HA GLY 52 -9.317 11.537 -6.002 406 H GLY 53 H GLY 53 -6.542 10.891 -4.229 407 HA2 GLY 53 1HA GLY 53 -6.222 13.741 -3.580 408 HA3 GLY 53 2HA GLY 53 -5.428 12.393 -2.766 409 H CYS 54 H CYS 54 -3.479 13.790 -2.943 410 HA CYS 54 HA CYS 54 -2.285 13.897 -5.680 411 HB2 CYS 54 1HB CYS 54 -2.407 15.935 -4.091 412 HB3 CYS 54 2HB CYS 54 -1.118 15.139 -3.188 413 HG CYS 54 HG CYS 54 0.490 15.519 -5.094 414 H ALA 55 H ALA 55 -0.699 12.478 -6.208 415 HA ALA 55 HA ALA 55 0.099 10.363 -4.454 416 HB1 ALA 55 3HB ALA 55 1.868 9.961 -6.248 417 HB2 ALA 55 1HB ALA 55 1.201 11.363 -7.083 418 HB3 ALA 55 2HB ALA 55 0.192 9.944 -6.798 419 H GLY 56 H GLY 56 1.632 13.450 -5.306 420 HA2 GLY 56 1HA GLY 56 4.187 12.931 -4.158 421 HA3 GLY 56 2HA GLY 56 3.491 14.535 -4.371 422 H THR 57 H THR 57 1.170 14.091 -2.689 423 HA THR 57 HA THR 57 2.516 14.286 -0.037 424 HB THR 57 HB THR 57 0.484 15.368 0.713 425 HG1 THR 57 HG1 THR 57 -1.239 15.585 -0.861 426 HG21 THR 57 3HG2 THR 57 1.991 16.811 -0.534 427 HG22 THR 57 1HG2 THR 57 0.330 17.237 -0.943 428 HG23 THR 57 2HG2 THR 57 1.293 16.277 -2.063 429 H MET 58 H MET 58 1.336 11.876 -1.827 430 HA MET 58 HA MET 58 -0.422 10.584 0.129 431 HB2 MET 58 1HB MET 58 -0.750 10.220 -2.278 432 HB3 MET 58 2HB MET 58 0.867 9.530 -2.405 433 HG2 MET 58 1HG MET 58 0.242 7.702 -0.904 434 HG3 MET 58 2HG MET 58 -1.347 8.421 -0.662 435 HE1 MET 58 3HE MET 58 -2.611 9.264 -3.312 436 HE2 MET 58 1HE MET 58 -3.233 8.258 -1.996 437 HE3 MET 58 2HE MET 58 -3.371 7.716 -3.662 438 H LYS 59 H LYS 59 0.166 9.035 1.598 439 HA LYS 59 HA LYS 59 2.995 8.046 1.575 440 HB2 LYS 59 1HB LYS 59 1.393 9.041 3.947 441 HB3 LYS 59 2HB LYS 59 2.920 8.167 4.083 442 HG2 LYS 59 1HG LYS 59 3.985 9.921 2.639 443 HG3 LYS 59 2HG LYS 59 2.476 10.828 2.697 444 HD2 LYS 59 1HD LYS 59 3.997 9.980 5.177 445 HD3 LYS 59 2HD LYS 59 4.227 11.540 4.394 446 HE2 LYS 59 1HE LYS 59 1.689 11.860 4.629 447 HE3 LYS 59 2HE LYS 59 1.732 10.480 5.727 448 HZ1 LYS 59 3HZ LYS 59 3.481 11.685 6.986 449 HZ2 LYS 59 1HZ LYS 59 1.959 12.436 7.019 450 HZ3 LYS 59 2HZ LYS 59 3.186 13.046 6.013 451 H VAL 60 H VAL 60 3.232 5.899 2.151 452 HA VAL 60 HA VAL 60 0.700 4.340 2.590 453 HB VAL 60 HB VAL 60 3.272 3.632 1.144 454 HG11 VAL 60 1HG1 VAL 60 0.997 1.885 2.100 455 HG12 VAL 60 2HG1 VAL 60 2.729 1.642 2.325 456 HG13 VAL 60 3HG1 VAL 60 2.009 1.422 0.731 457 HG21 VAL 60 3HG2 VAL 60 1.612 4.909 -0.153 458 HG22 VAL 60 1HG2 VAL 60 0.365 3.740 0.278 459 HG23 VAL 60 2HG2 VAL 60 1.716 3.251 -0.745 460 H GLN 61 H GLN 61 0.612 3.135 4.431 461 HA GLN 61 HA GLN 61 3.161 2.633 5.938 462 HB2 GLN 61 1HB GLN 61 0.499 3.609 7.009 463 HB3 GLN 61 2HB GLN 61 1.809 3.011 8.030 464 HG2 GLN 61 1HG GLN 61 3.310 4.744 7.152 465 HG3 GLN 61 2HG GLN 61 2.033 5.327 6.085 466 HE21 GLN 61 2HE2 GLN 61 2.744 7.343 7.582 467 HE22 GLN 61 1HE2 GLN 61 1.771 7.570 8.955 468 H VAL 62 H VAL 62 3.423 0.528 6.397 469 HA VAL 62 HA VAL 62 1.253 -1.367 5.811 470 HB VAL 62 HB VAL 62 4.033 -1.924 6.887 471 HG11 VAL 62 1HG1 VAL 62 2.075 -3.651 5.337 472 HG12 VAL 62 2HG1 VAL 62 2.364 -3.766 7.073 473 HG13 VAL 62 3HG1 VAL 62 3.656 -4.151 5.935 474 HG21 VAL 62 3HG2 VAL 62 3.041 -1.816 4.021 475 HG22 VAL 62 1HG2 VAL 62 4.659 -2.296 4.531 476 HG23 VAL 62 2HG2 VAL 62 4.116 -0.636 4.772 477 H PHE 63 H PHE 63 -0.023 -2.323 7.325 478 HA PHE 63 HA PHE 63 0.772 -2.128 10.209 479 HB2 PHE 63 1HB PHE 63 -1.865 -1.448 8.907 480 HB3 PHE 63 2HB PHE 63 -1.795 -1.943 10.599 481 HD1 PHE 63 HD1 PHE 63 -0.204 -0.693 12.164 482 HD2 PHE 63 HD2 PHE 63 -1.344 0.784 8.290 483 HE1 PHE 63 HE1 PHE 63 0.485 1.597 12.830 484 HE2 PHE 63 HE2 PHE 63 -0.656 3.070 8.961 485 HZ PHE 63 HZ PHE 63 0.260 3.477 11.228 486 H LYS 64 H LYS 64 0.269 -3.893 11.470 487 HA LYS 64 HA LYS 64 -1.260 -6.137 10.277 488 HB2 LYS 64 1HB LYS 64 1.129 -6.494 9.635 489 HB3 LYS 64 2HB LYS 64 1.563 -6.466 11.345 490 HG2 LYS 64 1HG LYS 64 0.129 -8.398 11.775 491 HG3 LYS 64 2HG LYS 64 -0.403 -8.406 10.093 492 HD2 LYS 64 1HD LYS 64 1.915 -8.823 9.357 493 HD3 LYS 64 2HD LYS 64 2.450 -8.816 11.039 494 HE2 LYS 64 1HE LYS 64 2.130 -11.124 10.285 495 HE3 LYS 64 2HE LYS 64 0.923 -10.722 11.507 496 HZ1 LYS 64 3HZ LYS 64 -0.747 -10.617 9.960 497 HZ2 LYS 64 1HZ LYS 64 0.206 -11.860 9.308 498 HZ3 LYS 64 2HZ LYS 64 0.305 -10.291 8.666 499 H GLY 65 H GLY 65 -2.718 -5.396 12.002 500 HA2 GLY 65 1HA GLY 65 -3.661 -6.169 14.071 501 HA3 GLY 65 2HA GLY 65 -2.058 -6.694 14.587 502 H ASP 66 H ASP 66 -1.641 -5.537 16.421 503 HA ASP 66 HA ASP 66 -2.372 -2.655 16.546 504 HB2 ASP 66 1HB ASP 66 -1.352 -4.610 18.628 505 HB3 ASP 66 2HB ASP 66 -1.666 -2.904 18.948 506 H THR 67 H THR 67 0.152 -4.313 15.329 507 HA THR 67 HA THR 67 2.164 -2.264 16.214 508 HB THR 67 HB THR 67 2.653 -5.178 15.531 509 HG1 THR 67 HG1 THR 67 1.857 -4.048 17.750 510 HG21 THR 67 3HG2 THR 67 4.578 -3.978 14.845 511 HG22 THR 67 1HG2 THR 67 4.964 -4.535 16.473 512 HG23 THR 67 2HG2 THR 67 4.470 -2.864 16.209 513 H CYS 68 H CYS 68 3.214 -1.210 14.601 514 HA CYS 68 HA CYS 68 2.304 -1.599 11.858 515 HB2 CYS 68 1HB CYS 68 2.672 0.662 12.519 516 HB3 CYS 68 2HB CYS 68 4.265 0.286 13.172 517 HG CYS 68 HG CYS 68 5.233 0.629 10.921 518 H VAL 69 H VAL 69 3.367 -2.723 10.263 519 HA VAL 69 HA VAL 69 5.671 -4.346 10.970 520 HB VAL 69 HB VAL 69 4.384 -3.831 8.270 521 HG11 VAL 69 1HG1 VAL 69 5.437 -6.121 7.803 522 HG12 VAL 69 2HG1 VAL 69 6.405 -5.854 9.253 523 HG13 VAL 69 3HG1 VAL 69 6.548 -4.753 7.882 524 HG21 VAL 69 3HG2 VAL 69 3.225 -5.970 8.698 525 HG22 VAL 69 1HG2 VAL 69 2.825 -4.778 9.936 526 HG23 VAL 69 2HG2 VAL 69 3.982 -6.062 10.289 527 H SER 70 H SER 70 5.193 -1.736 8.559 528 HA SER 70 HA SER 70 7.693 -0.457 9.165 529 HB2 SER 70 1HB SER 70 9.106 -1.171 7.440 530 HB3 SER 70 2HB SER 70 8.324 -2.678 7.905 531 HG SER 70 HG SER 70 8.192 -1.278 5.577 532 H THR 71 H THR 71 8.174 1.272 7.478 533 HA THR 71 HA THR 71 5.627 2.175 6.158 534 HB THR 71 HB THR 71 7.933 3.813 7.256 535 HG1 THR 71 HG1 THR 71 6.750 3.297 8.964 536 HG21 THR 71 3HG2 THR 71 6.342 5.720 6.760 537 HG22 THR 71 1HG2 THR 71 5.374 4.574 5.834 538 HG23 THR 71 2HG2 THR 71 7.026 4.937 5.335 539 H MET 72 H MET 72 5.714 2.423 3.967 540 HA MET 72 HA MET 72 8.102 1.679 2.516 541 HB2 MET 72 1HB MET 72 5.486 2.917 1.613 542 HB3 MET 72 2HB MET 72 6.750 2.369 0.509 543 HG2 MET 72 1HG MET 72 6.598 0.099 1.439 544 HG3 MET 72 2HG MET 72 5.359 0.636 2.571 545 HE1 MET 72 3HE MET 72 3.383 -0.924 1.888 546 HE2 MET 72 1HE MET 72 4.786 -1.725 1.169 547 HE3 MET 72 2HE MET 72 3.292 -1.556 0.248 548 H ASP 73 H ASP 73 9.666 3.223 3.289 549 HA ASP 73 HA ASP 73 9.238 6.076 2.586 550 HB2 ASP 73 1HB ASP 73 10.229 5.421 4.796 551 HB3 ASP 73 2HB ASP 73 11.611 4.750 3.932 552 H ASN 74 H ASN 74 10.914 3.235 1.459 553 HA ASN 74 HA ASN 74 12.696 4.808 -0.309 554 HB2 ASN 74 1HB ASN 74 13.526 2.760 0.844 555 HB3 ASN 74 2HB ASN 74 12.353 1.806 -0.064 556 HD21 ASN 74 2HD2 ASN 74 15.130 4.038 -0.545 557 HD22 ASN 74 1HD2 ASN 74 15.600 3.374 -2.035 558 H ASN 75 H ASN 75 11.628 5.639 -2.056 559 HA ASN 75 HA ASN 75 9.354 4.372 -3.300 560 HB2 ASN 75 1HB ASN 75 11.202 6.622 -4.114 561 HB3 ASN 75 2HB ASN 75 9.899 6.061 -5.164 562 HD21 ASN 75 2HD2 ASN 75 9.894 8.710 -4.026 563 HD22 ASN 75 1HD2 ASN 75 8.601 8.809 -2.931 564 H ASP 76 H ASP 76 12.801 4.118 -3.683 565 HA ASP 76 HA ASP 76 12.698 2.890 -6.327 566 HB2 ASP 76 1HB ASP 76 14.885 3.077 -4.236 567 HB3 ASP 76 2HB ASP 76 15.113 2.372 -5.837 568 H ALA 77 H ALA 77 11.789 1.795 -3.319 569 HA ALA 77 HA ALA 77 12.824 -0.951 -3.602 570 HB1 ALA 77 3HB ALA 77 12.673 -0.126 -1.357 571 HB2 ALA 77 1HB ALA 77 11.398 -1.330 -1.538 572 HB3 ALA 77 2HB ALA 77 11.001 0.388 -1.591 573 H GLN 78 H GLN 78 11.395 -2.804 -3.805 574 HA GLN 78 HA GLN 78 9.188 -2.302 -5.666 575 HB2 GLN 78 1HB GLN 78 10.368 -4.846 -4.530 576 HB3 GLN 78 2HB GLN 78 9.031 -4.818 -5.679 577 HG2 GLN 78 1HG GLN 78 10.422 -3.633 -7.309 578 HG3 GLN 78 2HG GLN 78 11.757 -3.579 -6.157 579 HE21 GLN 78 2HE2 GLN 78 10.596 -5.333 -8.767 580 HE22 GLN 78 1HE2 GLN 78 11.370 -6.813 -8.460 581 H LEU 79 H LEU 79 7.028 -3.260 -5.314 582 HA LEU 79 HA LEU 79 5.896 -2.518 -2.803 583 HB2 LEU 79 1HB LEU 79 4.548 -2.574 -4.836 584 HB3 LEU 79 2HB LEU 79 4.815 -4.307 -5.003 585 HG LEU 79 HG LEU 79 3.579 -4.736 -2.935 586 HD11 LEU 79 1HD1 LEU 79 4.006 -2.911 -1.515 587 HD12 LEU 79 2HD1 LEU 79 2.323 -2.658 -1.969 588 HD13 LEU 79 3HD1 LEU 79 3.597 -1.724 -2.755 589 HD21 LEU 79 3HD2 LEU 79 2.169 -2.859 -4.855 590 HD22 LEU 79 1HD2 LEU 79 1.340 -3.863 -3.665 591 HD23 LEU 79 2HD2 LEU 79 2.257 -4.617 -4.969 592 H GLY 80 H GLY 80 6.793 -5.707 -4.136 593 HA2 GLY 80 1HA GLY 80 5.876 -7.154 -1.796 594 HA3 GLY 80 2HA GLY 80 6.922 -7.800 -3.060 595 H TYR 81 H TYR 81 8.413 -5.034 -2.195 596 HA TYR 81 HA TYR 81 10.565 -6.336 -0.844 597 HB2 TYR 81 1HB TYR 81 10.696 -4.134 -2.074 598 HB3 TYR 81 2HB TYR 81 9.870 -3.389 -0.706 599 HD1 TYR 81 HD1 TYR 81 12.968 -5.013 -1.853 600 HD2 TYR 81 HD2 TYR 81 10.979 -3.138 1.459 601 HE1 TYR 81 HE1 TYR 81 15.131 -4.834 -0.656 602 HE2 TYR 81 HE2 TYR 81 13.144 -2.957 2.657 603 HH TYR 81 HH TYR 81 15.318 -3.368 2.592 604 H TYR 82 H TYR 82 7.862 -4.356 0.378 605 HA TYR 82 HA TYR 82 8.589 -5.126 3.178 606 HB2 TYR 82 1HB TYR 82 6.642 -3.042 2.137 607 HB3 TYR 82 2HB TYR 82 7.023 -3.331 3.833 608 HD1 TYR 82 HD1 TYR 82 9.424 -3.026 4.621 609 HD2 TYR 82 HD2 TYR 82 8.034 -1.673 0.789 610 HE1 TYR 82 HE1 TYR 82 11.377 -1.509 4.447 611 HE2 TYR 82 HE2 TYR 82 9.989 -0.158 0.613 612 HH TYR 82 HH TYR 82 11.728 0.724 1.705 613 H ALA 83 H ALA 83 6.155 -5.474 0.687 614 HA ALA 83 HA ALA 83 4.262 -6.778 2.569 615 HB1 ALA 83 3HB ALA 83 3.313 -5.226 0.938 616 HB2 ALA 83 1HB ALA 83 2.772 -6.864 0.575 617 HB3 ALA 83 2HB ALA 83 4.051 -6.126 -0.387 618 H ASN 84 H ASN 84 5.230 -8.771 3.035 619 HA ASN 84 HA ASN 84 5.413 -10.686 0.737 620 HB2 ASN 84 1HB ASN 84 7.705 -9.963 1.445 621 HB3 ASN 84 2HB ASN 84 7.353 -10.552 3.069 622 HD21 ASN 84 2HD2 ASN 84 7.656 -11.642 -0.335 623 HD22 ASN 84 1HD2 ASN 84 8.000 -13.258 0.050 624 H SER 85 H SER 85 3.142 -10.921 1.763 625 HA SER 85 HA SER 85 3.090 -13.345 3.311 626 HB2 SER 85 1HB SER 85 3.660 -11.560 5.065 627 HB3 SER 85 2HB SER 85 2.045 -10.919 4.787 628 HG SER 85 HG SER 85 2.233 -12.496 6.519 629 H ASP 86 H ASP 86 0.466 -11.954 4.514 630 HA ASP 86 HA ASP 86 -1.208 -11.454 2.229 631 HB2 ASP 86 1HB ASP 86 -2.542 -13.536 2.288 632 HB3 ASP 86 2HB ASP 86 -0.870 -13.868 1.840 633 H GLY 87 H GLY 87 -3.219 -10.659 2.914 634 HA2 GLY 87 1HA GLY 87 -4.983 -10.200 4.444 635 HA3 GLY 87 2HA GLY 87 -4.148 -11.165 5.661 636 H LEU 88 H LEU 88 -2.170 -8.877 4.059 637 HA LEU 88 HA LEU 88 -1.743 -7.400 6.528 638 HB2 LEU 88 1HB LEU 88 -0.790 -6.776 3.715 639 HB3 LEU 88 2HB LEU 88 -0.157 -6.079 5.205 640 HG LEU 88 HG LEU 88 -0.083 -9.023 4.478 641 HD11 LEU 88 1HD1 LEU 88 1.472 -7.808 3.097 642 HD12 LEU 88 2HD1 LEU 88 2.405 -8.570 4.384 643 HD13 LEU 88 3HD1 LEU 88 2.027 -6.849 4.469 644 HD21 LEU 88 3HD2 LEU 88 -0.101 -9.006 6.825 645 HD22 LEU 88 1HD2 LEU 88 0.724 -7.450 6.925 646 HD23 LEU 88 2HD2 LEU 88 1.624 -8.903 6.490 647 H ARG 89 H ARG 89 -2.108 -5.099 6.793 648 HA ARG 89 HA ARG 89 -4.427 -4.061 5.181 649 HB2 ARG 89 1HB ARG 89 -4.906 -4.519 7.600 650 HB3 ARG 89 2HB ARG 89 -3.639 -3.372 8.031 651 HG2 ARG 89 1HG ARG 89 -4.856 -1.592 6.786 652 HG3 ARG 89 2HG ARG 89 -6.146 -2.745 6.442 653 HD2 ARG 89 1HD ARG 89 -5.227 -1.967 9.223 654 HD3 ARG 89 2HD ARG 89 -6.654 -1.312 8.421 655 HE ARG 89 HE ARG 89 -6.398 -4.004 9.569 656 HH11 ARG 89 1HH2 ARG 89 -8.026 -1.873 7.400 657 HH12 ARG 89 2HH2 ARG 89 -9.494 -2.791 7.392 658 HH21 ARG 89 1HH1 ARG 89 -8.304 -5.216 9.565 659 HH22 ARG 89 2HH1 ARG 89 -9.651 -4.683 8.616 660 H LEU 90 H LEU 90 -3.927 -2.323 3.963 661 HA LEU 90 HA LEU 90 -1.444 -0.773 4.600 662 HB2 LEU 90 1HB LEU 90 -3.038 -0.903 2.022 663 HB3 LEU 90 2HB LEU 90 -1.495 -0.082 2.258 664 HG LEU 90 HG LEU 90 -1.958 -3.064 2.582 665 HD11 LEU 90 1HD1 LEU 90 -2.075 -2.522 0.249 666 HD12 LEU 90 2HD1 LEU 90 -0.447 -3.137 0.535 667 HD13 LEU 90 3HD1 LEU 90 -0.718 -1.402 0.376 668 HD21 LEU 90 3HD2 LEU 90 -0.145 -2.593 3.996 669 HD22 LEU 90 1HD2 LEU 90 0.421 -1.252 2.997 670 HD23 LEU 90 2HD2 LEU 90 0.675 -2.917 2.472 671 H HIS 91 H HIS 91 -1.668 1.286 5.283 672 HA HIS 91 HA HIS 91 -4.382 2.555 5.116 673 HB2 HIS 91 1HB HIS 91 -3.387 2.104 7.403 674 HB3 HIS 91 2HB HIS 91 -2.119 3.262 7.000 675 HD1 HIS 91 HD1 HIS 91 -5.942 3.223 6.818 676 HD2 HIS 91 HD2 HIS 91 -2.819 5.784 7.850 677 HE1 HIS 91 HE1 HIS 91 -7.013 5.390 7.574 678 H VAL 92 H VAL 92 -4.520 4.177 3.673 679 HA VAL 92 HA VAL 92 -2.036 5.459 2.662 680 HB VAL 92 HB VAL 92 -4.926 5.547 1.736 681 HG11 VAL 92 1HG1 VAL 92 -2.454 6.989 0.773 682 HG12 VAL 92 2HG1 VAL 92 -4.026 7.678 1.179 683 HG13 VAL 92 3HG1 VAL 92 -3.838 6.709 -0.284 684 HG21 VAL 92 3HG2 VAL 92 -3.912 4.396 -0.264 685 HG22 VAL 92 1HG2 VAL 92 -3.837 3.442 1.217 686 HG23 VAL 92 2HG2 VAL 92 -2.400 4.281 0.635 687 H VAL 93 H VAL 93 -1.494 7.513 3.249 688 HA VAL 93 HA VAL 93 -3.542 9.183 4.687 689 HB VAL 93 HB VAL 93 -0.564 9.017 5.252 690 HG11 VAL 93 1HG1 VAL 93 -1.336 10.316 7.319 691 HG12 VAL 93 2HG1 VAL 93 -2.854 10.581 6.460 692 HG13 VAL 93 3HG1 VAL 93 -1.345 11.205 5.795 693 HG21 VAL 93 3HG2 VAL 93 -1.206 7.873 7.312 694 HG22 VAL 93 1HG2 VAL 93 -1.848 6.981 5.932 695 HG23 VAL 93 2HG2 VAL 93 -2.914 8.010 6.890 696 H ASP 94 H ASP 94 -3.989 10.912 3.438 697 HA ASP 94 HA ASP 94 -1.830 12.050 1.693 698 HB2 ASP 94 1HB ASP 94 -3.713 13.054 0.410 699 HB3 ASP 94 2HB ASP 94 -3.794 11.294 0.450 700 H SER 95 H SER 95 -1.085 14.055 2.204 701 HA SER 95 HA SER 95 -0.867 16.087 3.356 702 HB2 SER 95 1HB SER 95 -3.897 16.074 3.332 703 HB3 SER 95 2HB SER 95 -2.840 17.476 3.454 704 HG SER 95 HG SER 95 -2.378 15.823 1.293
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