NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
477472 | 2l0d | 17039 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -15.785 13.801 -8.518 2 H2 MET 1 2H MET 1 -15.038 12.522 -9.337 3 H3 MET 1 3H MET 1 -15.183 14.033 -10.085 4 HA MET 1 HA MET 1 -12.932 13.677 -9.303 5 HB2 MET 1 1HB MET 1 -14.488 15.736 -7.716 6 HB3 MET 1 2HB MET 1 -12.737 15.704 -7.858 7 HG2 MET 1 1HG MET 1 -14.543 15.911 -10.245 8 HG3 MET 1 2HG MET 1 -13.988 17.321 -9.347 9 HE1 MET 1 3HE MET 1 -11.059 16.683 -8.534 10 HE2 MET 1 1HE MET 1 -11.541 18.197 -9.300 11 HE3 MET 1 2HE MET 1 -10.157 17.296 -9.920 12 H ILE 2 H ILE 2 -12.460 11.776 -8.252 13 HA ILE 2 HA ILE 2 -12.648 11.866 -5.337 14 HB ILE 2 HB ILE 2 -14.668 10.642 -6.256 15 HG12 ILE 2 1HG1 ILE 2 -12.818 8.946 -4.573 16 HG13 ILE 2 2HG1 ILE 2 -13.749 10.307 -3.957 17 HG21 ILE 2 1HG2 ILE 2 -13.572 9.524 -8.137 18 HG22 ILE 2 2HG2 ILE 2 -14.368 8.365 -7.073 19 HG23 ILE 2 3HG2 ILE 2 -12.617 8.560 -7.006 20 HD11 ILE 2 3HD1 ILE 2 -14.811 8.158 -3.481 21 HD12 ILE 2 1HD1 ILE 2 -14.909 7.831 -5.210 22 HD13 ILE 2 2HD1 ILE 2 -15.816 9.174 -4.515 23 HA PRO 3 HA PRO 3 -8.550 10.158 -5.837 24 HB2 PRO 3 1HB PRO 3 -8.727 9.299 -3.044 25 HB3 PRO 3 2HB PRO 3 -7.656 10.495 -3.776 26 HG2 PRO 3 1HG PRO 3 -9.673 11.170 -2.099 27 HG3 PRO 3 2HG PRO 3 -9.123 12.224 -3.417 28 HD2 PRO 3 1HD PRO 3 -11.515 10.433 -3.287 29 HD3 PRO 3 2HD PRO 3 -11.358 12.056 -3.991 30 H ASP 4 H ASP 4 -8.360 8.286 -6.886 31 HA ASP 4 HA ASP 4 -9.699 5.905 -5.805 32 HB2 ASP 4 1HB ASP 4 -10.119 6.623 -8.213 33 HB3 ASP 4 2HB ASP 4 -8.445 6.195 -8.541 34 H LEU 5 H LEU 5 -8.149 5.660 -4.171 35 HA LEU 5 HA LEU 5 -5.350 5.613 -4.711 36 HB2 LEU 5 1HB LEU 5 -6.838 4.636 -2.274 37 HB3 LEU 5 2HB LEU 5 -5.128 5.017 -2.368 38 HG LEU 5 HG LEU 5 -7.366 7.018 -2.709 39 HD11 LEU 5 1HD1 LEU 5 -5.512 6.541 -0.380 40 HD12 LEU 5 2HD1 LEU 5 -7.244 6.207 -0.416 41 HD13 LEU 5 3HD1 LEU 5 -6.662 7.869 -0.527 42 HD21 LEU 5 3HD2 LEU 5 -5.324 7.570 -3.953 43 HD22 LEU 5 1HD2 LEU 5 -4.390 7.425 -2.464 44 HD23 LEU 5 2HD2 LEU 5 -5.612 8.687 -2.619 45 H VAL 6 H VAL 6 -4.587 4.015 -5.973 46 HA VAL 6 HA VAL 6 -5.522 1.277 -5.419 47 HB VAL 6 HB VAL 6 -4.366 2.332 -8.005 48 HG11 VAL 6 1HG1 VAL 6 -5.094 0.189 -8.941 49 HG12 VAL 6 2HG1 VAL 6 -5.625 -0.329 -7.340 50 HG13 VAL 6 3HG1 VAL 6 -3.914 -0.036 -7.650 51 HG21 VAL 6 3HG2 VAL 6 -7.219 1.659 -7.313 52 HG22 VAL 6 1HG2 VAL 6 -6.622 2.133 -8.902 53 HG23 VAL 6 2HG2 VAL 6 -6.570 3.279 -7.563 54 HA PRO 7 HA PRO 7 -1.168 0.539 -4.333 55 HB2 PRO 7 1HB PRO 7 -1.763 -2.017 -3.486 56 HB3 PRO 7 2HB PRO 7 -1.766 -0.595 -2.439 57 HG2 PRO 7 1HG PRO 7 -4.051 -2.008 -3.726 58 HG3 PRO 7 2HG PRO 7 -3.955 -1.242 -2.131 59 HD2 PRO 7 1HD PRO 7 -5.202 -0.089 -4.243 60 HD3 PRO 7 2HD PRO 7 -4.393 0.853 -2.974 61 H VAL 8 H VAL 8 -0.120 0.226 -6.203 62 HA VAL 8 HA VAL 8 -1.324 -1.347 -8.307 63 HB VAL 8 HB VAL 8 1.370 -0.013 -8.445 64 HG11 VAL 8 1HG1 VAL 8 -0.741 -0.608 -10.511 65 HG12 VAL 8 2HG1 VAL 8 0.810 -1.429 -10.323 66 HG13 VAL 8 3HG1 VAL 8 0.759 0.267 -10.814 67 HG21 VAL 8 3HG2 VAL 8 -0.155 1.641 -7.553 68 HG22 VAL 8 1HG2 VAL 8 -1.320 1.289 -8.831 69 HG23 VAL 8 2HG2 VAL 8 0.235 2.018 -9.232 70 H SER 9 H SER 9 1.847 -1.322 -6.677 71 HA SER 9 HA SER 9 1.996 -4.207 -7.083 72 HB2 SER 9 1HB SER 9 4.351 -3.980 -7.888 73 HB3 SER 9 2HB SER 9 3.159 -3.314 -9.005 74 HG SER 9 HG SER 9 4.099 -1.455 -8.814 75 H LEU 10 H LEU 10 3.597 -5.241 -5.791 76 HA LEU 10 HA LEU 10 4.589 -3.679 -3.513 77 HB2 LEU 10 1HB LEU 10 2.647 -4.859 -2.728 78 HB3 LEU 10 2HB LEU 10 3.174 -6.345 -3.491 79 HG LEU 10 HG LEU 10 5.071 -6.451 -1.897 80 HD11 LEU 10 1HD1 LEU 10 3.695 -4.112 -0.586 81 HD12 LEU 10 2HD1 LEU 10 5.273 -4.083 -1.375 82 HD13 LEU 10 3HD1 LEU 10 5.036 -5.039 0.090 83 HD21 LEU 10 3HD2 LEU 10 2.329 -6.277 -0.664 84 HD22 LEU 10 1HD2 LEU 10 3.722 -7.106 0.031 85 HD23 LEU 10 2HD2 LEU 10 3.018 -7.680 -1.480 86 H THR 11 H THR 11 6.731 -3.677 -3.881 87 HA THR 11 HA THR 11 7.961 -6.194 -4.790 88 HB THR 11 HB THR 11 9.800 -4.692 -5.695 89 HG1 THR 11 HG1 THR 11 7.861 -2.627 -5.689 90 HG21 THR 11 3HG2 THR 11 7.033 -4.431 -6.878 91 HG22 THR 11 1HG2 THR 11 8.163 -5.756 -7.158 92 HG23 THR 11 2HG2 THR 11 8.545 -4.133 -7.736 93 HA PRO 12 HA PRO 12 9.984 -6.908 -5.105 94 HB2 PRO 12 1HB PRO 12 11.383 -8.917 -4.012 95 HB3 PRO 12 2HB PRO 12 12.132 -7.359 -4.381 96 HG2 PRO 12 1HG PRO 12 11.154 -8.419 -1.759 97 HG3 PRO 12 2HG PRO 12 12.638 -7.518 -2.119 98 HD2 PRO 12 1HD PRO 12 10.369 -6.384 -1.070 99 HD3 PRO 12 2HD PRO 12 11.575 -5.496 -2.022 100 H VAL 13 H VAL 13 9.031 -8.821 -5.836 101 HA VAL 13 HA VAL 13 6.699 -9.627 -4.387 102 HB VAL 13 HB VAL 13 6.294 -11.174 -6.274 103 HG11 VAL 13 1HG1 VAL 13 6.029 -9.454 -8.002 104 HG12 VAL 13 2HG1 VAL 13 7.082 -8.377 -7.085 105 HG13 VAL 13 3HG1 VAL 13 5.526 -8.871 -6.415 106 HG21 VAL 13 3HG2 VAL 13 7.792 -11.153 -8.211 107 HG22 VAL 13 1HG2 VAL 13 8.605 -11.783 -6.778 108 HG23 VAL 13 2HG2 VAL 13 8.927 -10.137 -7.323 109 H THR 14 H THR 14 9.910 -10.769 -4.571 110 HA THR 14 HA THR 14 9.169 -13.114 -2.952 111 HB THR 14 HB THR 14 11.686 -13.173 -4.543 112 HG1 THR 14 HG1 THR 14 9.098 -13.657 -5.663 113 HG21 THR 14 3HG2 THR 14 11.113 -15.013 -3.031 114 HG22 THR 14 1HG2 THR 14 11.145 -15.553 -4.710 115 HG23 THR 14 2HG2 THR 14 9.602 -15.258 -3.908 116 H VAL 15 H VAL 15 10.267 -13.239 -0.989 117 HA VAL 15 HA VAL 15 12.017 -10.916 -0.470 118 HB VAL 15 HB VAL 15 11.112 -10.973 1.860 119 HG11 VAL 15 1HG1 VAL 15 10.281 -9.372 0.230 120 HG12 VAL 15 2HG1 VAL 15 8.976 -9.913 1.287 121 HG13 VAL 15 3HG1 VAL 15 9.107 -10.553 -0.351 122 HG21 VAL 15 3HG2 VAL 15 9.009 -12.162 2.269 123 HG22 VAL 15 1HG2 VAL 15 10.326 -13.277 1.906 124 HG23 VAL 15 2HG2 VAL 15 9.121 -12.905 0.673 125 H VAL 16 H VAL 16 13.870 -11.158 0.678 126 HA VAL 16 HA VAL 16 14.814 -13.831 1.174 127 HB VAL 16 HB VAL 16 16.888 -12.600 1.955 128 HG11 VAL 16 1HG1 VAL 16 17.585 -12.032 -0.325 129 HG12 VAL 16 2HG1 VAL 16 15.903 -12.121 -0.847 130 HG13 VAL 16 3HG1 VAL 16 16.723 -13.568 -0.258 131 HG21 VAL 16 3HG2 VAL 16 15.843 -10.462 2.504 132 HG22 VAL 16 1HG2 VAL 16 15.430 -10.227 0.806 133 HG23 VAL 16 2HG2 VAL 16 17.121 -10.259 1.306 134 HA PRO 17 HA PRO 17 13.600 -13.592 5.503 135 HB2 PRO 17 1HB PRO 17 14.601 -16.296 5.754 136 HB3 PRO 17 2HB PRO 17 12.928 -15.740 5.783 137 HG2 PRO 17 1HG PRO 17 13.992 -17.257 3.773 138 HG3 PRO 17 2HG PRO 17 12.622 -16.154 3.556 139 HD2 PRO 17 1HD PRO 17 15.509 -15.754 2.872 140 HD3 PRO 17 2HD PRO 17 14.057 -15.276 1.965 141 H ASN 18 H ASN 18 15.852 -12.237 5.061 142 HA ASN 18 HA ASN 18 17.860 -13.483 6.825 143 HB2 ASN 18 1HB ASN 18 18.258 -11.823 4.343 144 HB3 ASN 18 2HB ASN 18 19.529 -12.016 5.540 145 HD21 ASN 18 2HD2 ASN 18 18.942 -14.749 6.186 146 HD22 ASN 18 1HD2 ASN 18 19.425 -15.699 4.822 147 H THR 19 H THR 19 15.810 -10.794 6.337 148 HA THR 19 HA THR 19 17.003 -9.356 8.534 149 HB THR 19 HB THR 19 18.428 -8.726 6.585 150 HG1 THR 19 HG1 THR 19 17.528 -6.279 6.856 151 HG21 THR 19 3HG2 THR 19 15.883 -7.512 5.499 152 HG22 THR 19 1HG2 THR 19 16.750 -8.888 4.814 153 HG23 THR 19 2HG2 THR 19 17.498 -7.290 4.827 154 H VAL 20 H VAL 20 15.838 -7.001 8.505 155 HA VAL 20 HA VAL 20 12.985 -7.444 8.296 156 HB VAL 20 HB VAL 20 14.449 -4.866 8.925 157 HG11 VAL 20 1HG1 VAL 20 12.161 -4.510 8.177 158 HG12 VAL 20 2HG1 VAL 20 12.296 -4.179 9.904 159 HG13 VAL 20 3HG1 VAL 20 11.572 -5.690 9.349 160 HG21 VAL 20 3HG2 VAL 20 13.280 -6.907 10.811 161 HG22 VAL 20 1HG2 VAL 20 13.972 -5.352 11.270 162 HG23 VAL 20 2HG2 VAL 20 14.998 -6.598 10.558 163 H ASN 21 H ASN 21 12.032 -7.304 6.388 164 HA ASN 21 HA ASN 21 13.549 -6.202 4.186 165 HB2 ASN 21 1HB ASN 21 10.998 -7.814 4.305 166 HB3 ASN 21 2HB ASN 21 11.690 -7.213 2.801 167 HD21 ASN 21 2HD2 ASN 21 11.947 -9.347 2.072 168 HD22 ASN 21 1HD2 ASN 21 13.212 -10.361 2.674 169 H THR 22 H THR 22 13.417 -4.113 3.909 170 HA THR 22 HA THR 22 11.013 -2.623 4.414 171 HB THR 22 HB THR 22 13.472 -1.665 2.941 172 HG1 THR 22 HG1 THR 22 13.070 -2.276 5.627 173 HG21 THR 22 3HG2 THR 22 11.401 -0.218 4.598 174 HG22 THR 22 1HG2 THR 22 11.524 -0.187 2.838 175 HG23 THR 22 2HG2 THR 22 12.803 0.522 3.824 176 H MET 23 H MET 23 9.553 -3.691 3.050 177 HA MET 23 HA MET 23 10.071 -3.899 0.226 178 HB2 MET 23 1HB MET 23 7.557 -4.428 1.819 179 HB3 MET 23 2HB MET 23 7.773 -4.808 0.116 180 HG2 MET 23 1HG MET 23 9.624 -6.318 0.718 181 HG3 MET 23 2HG MET 23 9.311 -5.980 2.420 182 HE1 MET 23 3HE MET 23 7.920 -7.597 -0.879 183 HE2 MET 23 1HE MET 23 6.713 -6.372 -0.489 184 HE3 MET 23 2HE MET 23 6.304 -8.082 -0.369 185 H THR 24 H THR 24 8.794 -2.905 -1.410 186 HA THR 24 HA THR 24 7.909 -0.222 -0.585 187 HB THR 24 HB THR 24 9.112 -1.031 -3.238 188 HG1 THR 24 HG1 THR 24 10.272 -0.526 -0.865 189 HG21 THR 24 3HG2 THR 24 7.616 0.906 -3.375 190 HG22 THR 24 1HG2 THR 24 9.297 1.383 -3.616 191 HG23 THR 24 2HG2 THR 24 8.505 1.690 -2.069 192 H ALA 25 H ALA 25 5.755 -0.222 -0.573 193 HA ALA 25 HA ALA 25 4.270 -1.521 -2.721 194 HB1 ALA 25 3HB ALA 25 3.421 -1.725 -0.431 195 HB2 ALA 25 1HB ALA 25 2.279 -0.866 -1.464 196 HB3 ALA 25 2HB ALA 25 3.284 0.030 -0.325 197 H THR 26 H THR 26 3.816 -0.461 -4.508 198 HA THR 26 HA THR 26 4.152 2.431 -4.575 199 HB THR 26 HB THR 26 3.723 0.493 -6.862 200 HG1 THR 26 HG1 THR 26 5.741 0.057 -6.181 201 HG21 THR 26 3HG2 THR 26 3.023 2.780 -7.401 202 HG22 THR 26 1HG2 THR 26 4.489 2.343 -8.278 203 HG23 THR 26 2HG2 THR 26 4.587 3.391 -6.863 204 H ILE 27 H ILE 27 2.378 3.388 -3.822 205 HA ILE 27 HA ILE 27 -0.256 2.419 -4.654 206 HB ILE 27 HB ILE 27 0.268 4.743 -2.804 207 HG12 ILE 27 1HG1 ILE 27 1.490 2.828 -1.888 208 HG13 ILE 27 2HG1 ILE 27 0.076 3.189 -0.905 209 HG21 ILE 27 1HG2 ILE 27 -1.997 4.524 -3.643 210 HG22 ILE 27 2HG2 ILE 27 -1.946 4.149 -1.921 211 HG23 ILE 27 3HG2 ILE 27 -2.057 2.846 -3.104 212 HD11 ILE 27 3HD1 ILE 27 0.376 0.800 -1.184 213 HD12 ILE 27 1HD1 ILE 27 0.299 0.981 -2.936 214 HD13 ILE 27 2HD1 ILE 27 -1.119 1.339 -1.951 215 H GLU 28 H GLU 28 -1.163 3.285 -6.401 216 HA GLU 28 HA GLU 28 -0.347 6.009 -7.168 217 HB2 GLU 28 1HB GLU 28 0.366 4.350 -8.810 218 HB3 GLU 28 2HB GLU 28 -1.274 3.727 -8.926 219 HG2 GLU 28 1HG GLU 28 -2.039 5.757 -9.929 220 HG3 GLU 28 2HG GLU 28 -0.481 6.534 -9.659 221 H ASN 29 H ASN 29 -1.854 7.499 -7.086 222 HA ASN 29 HA ASN 29 -4.587 6.765 -6.492 223 HB2 ASN 29 1HB ASN 29 -3.626 8.628 -5.288 224 HB3 ASN 29 2HB ASN 29 -3.219 9.444 -6.791 225 HD21 ASN 29 2HD2 ASN 29 -4.351 11.246 -6.094 226 HD22 ASN 29 1HD2 ASN 29 -6.082 11.315 -6.131 227 H GLN 30 H GLN 30 -5.400 5.821 -8.308 228 HA GLN 30 HA GLN 30 -5.007 7.075 -10.896 229 HB2 GLN 30 1HB GLN 30 -6.411 4.507 -10.137 230 HB3 GLN 30 2HB GLN 30 -6.085 5.045 -11.782 231 HG2 GLN 30 1HG GLN 30 -3.664 5.017 -11.257 232 HG3 GLN 30 2HG GLN 30 -4.053 4.345 -9.676 233 HE21 GLN 30 2HE2 GLN 30 -2.462 3.273 -11.878 234 HE22 GLN 30 1HE2 GLN 30 -3.175 1.732 -12.267 235 H GLY 31 H GLY 31 -6.442 8.643 -9.216 236 HA2 GLY 31 1HA GLY 31 -8.947 8.856 -10.710 237 HA3 GLY 31 2HA GLY 31 -9.024 8.873 -8.949 238 H ASN 32 H ASN 32 -9.655 10.998 -10.929 239 HA ASN 32 HA ASN 32 -7.451 12.848 -10.783 240 HB2 ASN 32 1HB ASN 32 -9.023 12.598 -12.774 241 HB3 ASN 32 2HB ASN 32 -10.216 13.470 -11.816 242 HD21 ASN 32 2HD2 ASN 32 -9.883 15.649 -11.357 243 HD22 ASN 32 1HD2 ASN 32 -8.720 16.603 -12.219 244 H LYS 33 H LYS 33 -7.785 12.499 -8.327 245 HA LYS 33 HA LYS 33 -8.470 15.136 -7.435 246 HB2 LYS 33 1HB LYS 33 -10.655 13.969 -7.205 247 HB3 LYS 33 2HB LYS 33 -9.889 12.792 -6.145 248 HG2 LYS 33 1HG LYS 33 -11.140 14.525 -4.921 249 HG3 LYS 33 2HG LYS 33 -9.423 14.500 -4.508 250 HD2 LYS 33 1HD LYS 33 -9.060 16.358 -6.107 251 HD3 LYS 33 2HD LYS 33 -10.801 16.415 -6.387 252 HE2 LYS 33 1HE LYS 33 -11.208 17.026 -4.104 253 HE3 LYS 33 2HE LYS 33 -9.512 16.778 -3.687 254 HZ1 LYS 33 3HZ LYS 33 -10.480 18.814 -5.626 255 HZ2 LYS 33 1HZ LYS 33 -8.893 18.622 -5.061 256 HZ3 LYS 33 2HZ LYS 33 -10.112 19.139 -4.003 257 H ASP 34 H ASP 34 -6.859 15.720 -6.130 258 HA ASP 34 HA ASP 34 -4.852 13.825 -5.428 259 HB2 ASP 34 1HB ASP 34 -5.149 16.697 -4.517 260 HB3 ASP 34 2HB ASP 34 -3.692 15.715 -4.392 261 H SER 35 H SER 35 -4.636 12.639 -3.678 262 HA SER 35 HA SER 35 -6.719 12.785 -1.664 263 HB2 SER 35 1HB SER 35 -6.192 10.617 -2.678 264 HB3 SER 35 2HB SER 35 -4.525 10.748 -2.118 265 HG SER 35 HG SER 35 -5.225 10.560 -0.016 266 H THR 36 H THR 36 -6.378 12.973 0.517 267 HA THR 36 HA THR 36 -4.004 14.427 1.309 268 HB THR 36 HB THR 36 -5.273 14.579 3.510 269 HG1 THR 36 HG1 THR 36 -7.337 13.800 3.572 270 HG21 THR 36 3HG2 THR 36 -6.653 15.576 1.015 271 HG22 THR 36 1HG2 THR 36 -5.322 16.377 1.850 272 HG23 THR 36 2HG2 THR 36 -6.888 16.209 2.644 273 H SER 37 H SER 37 -3.859 13.633 4.014 274 HA SER 37 HA SER 37 -2.094 11.469 3.875 275 HB2 SER 37 1HB SER 37 -3.516 12.503 6.337 276 HB3 SER 37 2HB SER 37 -1.983 11.630 6.283 277 HG SER 37 HG SER 37 -1.483 13.569 4.743 278 H PHE 38 H PHE 38 -2.307 9.325 4.176 279 HA PHE 38 HA PHE 38 -4.840 8.226 5.114 280 HB2 PHE 38 1HB PHE 38 -5.121 6.786 3.159 281 HB3 PHE 38 2HB PHE 38 -5.129 8.477 2.674 282 HD1 PHE 38 HD2 PHE 38 -3.009 9.447 1.666 283 HD2 PHE 38 HD1 PHE 38 -3.616 5.274 2.233 284 HE1 PHE 38 HE2 PHE 38 -1.227 8.965 0.038 285 HE2 PHE 38 HE1 PHE 38 -1.838 4.795 0.611 286 HZ PHE 38 HZ PHE 38 -0.638 6.625 -0.476 287 H ASN 39 H ASN 39 -4.681 6.119 5.911 288 HA ASN 39 HA ASN 39 -1.947 5.456 6.715 289 HB2 ASN 39 1HB ASN 39 -4.573 4.321 7.705 290 HB3 ASN 39 2HB ASN 39 -2.991 4.074 8.433 291 HD21 ASN 39 2HD2 ASN 39 -5.625 6.276 7.958 292 HD22 ASN 39 1HD2 ASN 39 -5.126 7.438 9.140 293 H VAL 40 H VAL 40 -0.901 4.075 5.361 294 HA VAL 40 HA VAL 40 -2.477 1.928 4.143 295 HB VAL 40 HB VAL 40 0.019 3.330 3.335 296 HG11 VAL 40 1HG1 VAL 40 0.847 1.034 3.615 297 HG12 VAL 40 2HG1 VAL 40 0.750 1.479 1.912 298 HG13 VAL 40 3HG1 VAL 40 -0.481 0.434 2.622 299 HG21 VAL 40 3HG2 VAL 40 -2.252 2.035 1.842 300 HG22 VAL 40 1HG2 VAL 40 -0.978 3.027 1.132 301 HG23 VAL 40 2HG2 VAL 40 -2.123 3.741 2.269 302 H SER 41 H SER 41 -2.525 0.060 5.069 303 HA SER 41 HA SER 41 -0.361 -0.696 6.911 304 HB2 SER 41 1HB SER 41 -3.245 -1.627 6.850 305 HB3 SER 41 2HB SER 41 -2.032 -2.107 8.036 306 HG SER 41 HG SER 41 -2.071 -0.133 8.922 307 H LEU 42 H LEU 42 0.584 -2.690 6.752 308 HA LEU 42 HA LEU 42 -0.049 -4.240 4.347 309 HB2 LEU 42 1HB LEU 42 2.309 -3.573 4.745 310 HB3 LEU 42 2HB LEU 42 2.292 -4.499 6.235 311 HG LEU 42 HG LEU 42 1.851 -6.554 4.912 312 HD11 LEU 42 1HD1 LEU 42 2.319 -4.736 2.554 313 HD12 LEU 42 2HD1 LEU 42 0.800 -5.527 2.975 314 HD13 LEU 42 3HD1 LEU 42 2.194 -6.494 2.493 315 HD21 LEU 42 3HD2 LEU 42 4.115 -6.753 4.001 316 HD22 LEU 42 1HD2 LEU 42 4.116 -5.994 5.593 317 HD23 LEU 42 2HD2 LEU 42 4.323 -5.008 4.145 318 H LEU 43 H LEU 43 -1.566 -5.707 4.673 319 HA LEU 43 HA LEU 43 -1.723 -7.049 7.270 320 HB2 LEU 43 1HB LEU 43 -3.672 -7.025 4.964 321 HB3 LEU 43 2HB LEU 43 -3.926 -7.848 6.490 322 HG LEU 43 HG LEU 43 -3.629 -5.470 7.521 323 HD11 LEU 43 1HD1 LEU 43 -4.411 -4.778 4.706 324 HD12 LEU 43 2HD1 LEU 43 -2.900 -4.349 5.508 325 HD13 LEU 43 3HD1 LEU 43 -4.426 -3.677 6.083 326 HD21 LEU 43 3HD2 LEU 43 -6.029 -5.079 7.296 327 HD22 LEU 43 1HD2 LEU 43 -5.677 -6.781 7.605 328 HD23 LEU 43 2HD2 LEU 43 -6.094 -6.246 5.976 329 H VAL 44 H VAL 44 -0.520 -8.811 7.393 330 HA VAL 44 HA VAL 44 -0.047 -10.451 5.030 331 HB VAL 44 HB VAL 44 1.029 -10.756 7.844 332 HG11 VAL 44 1HG1 VAL 44 0.958 -12.887 6.663 333 HG12 VAL 44 2HG1 VAL 44 2.621 -12.329 6.848 334 HG13 VAL 44 3HG1 VAL 44 1.805 -12.168 5.293 335 HG21 VAL 44 3HG2 VAL 44 3.128 -9.916 6.907 336 HG22 VAL 44 1HG2 VAL 44 1.833 -8.729 6.752 337 HG23 VAL 44 2HG2 VAL 44 2.335 -9.675 5.350 338 H ASP 45 H ASP 45 -1.777 -11.636 4.560 339 HA ASP 45 HA ASP 45 -3.421 -13.187 4.683 340 HB2 ASP 45 1HB ASP 45 -1.595 -14.142 6.870 341 HB3 ASP 45 2HB ASP 45 -3.114 -14.968 6.543 342 H GLY 46 H GLY 46 -3.469 -10.663 6.415 343 HA2 GLY 46 1HA GLY 46 -5.798 -10.096 7.139 344 HA3 GLY 46 2HA GLY 46 -5.693 -11.526 8.154 345 H ILE 47 H ILE 47 -2.934 -11.056 8.968 346 HA ILE 47 HA ILE 47 -3.559 -9.296 11.176 347 HB ILE 47 HB ILE 47 -0.847 -10.456 10.666 348 HG12 ILE 47 1HG1 ILE 47 -2.475 -12.300 10.396 349 HG13 ILE 47 2HG1 ILE 47 -1.499 -12.503 11.847 350 HG21 ILE 47 1HG2 ILE 47 -0.721 -10.502 13.109 351 HG22 ILE 47 2HG2 ILE 47 -2.351 -9.834 13.193 352 HG23 ILE 47 3HG2 ILE 47 -1.042 -8.881 12.492 353 HD11 ILE 47 3HD1 ILE 47 -3.820 -13.066 12.263 354 HD12 ILE 47 1HD1 ILE 47 -4.319 -11.456 11.744 355 HD13 ILE 47 2HD1 ILE 47 -3.345 -11.650 13.201 356 H VAL 48 H VAL 48 -2.487 -7.403 11.694 357 HA VAL 48 HA VAL 48 -1.386 -5.997 9.368 358 HB VAL 48 HB VAL 48 -2.294 -4.819 12.002 359 HG11 VAL 48 1HG1 VAL 48 -2.300 -2.697 10.773 360 HG12 VAL 48 2HG1 VAL 48 -1.670 -3.526 9.348 361 HG13 VAL 48 3HG1 VAL 48 -0.694 -3.424 10.813 362 HG21 VAL 48 3HG2 VAL 48 -4.315 -4.118 10.804 363 HG22 VAL 48 1HG2 VAL 48 -4.167 -5.874 10.861 364 HG23 VAL 48 2HG2 VAL 48 -3.775 -5.005 9.378 365 H VAL 49 H VAL 49 0.755 -6.340 9.264 366 HA VAL 49 HA VAL 49 2.301 -6.638 11.688 367 HB VAL 49 HB VAL 49 4.225 -7.058 10.193 368 HG11 VAL 49 1HG1 VAL 49 2.838 -8.905 10.923 369 HG12 VAL 49 2HG1 VAL 49 3.396 -9.177 9.272 370 HG13 VAL 49 3HG1 VAL 49 1.740 -8.645 9.567 371 HG21 VAL 49 3HG2 VAL 49 3.853 -7.296 7.778 372 HG22 VAL 49 1HG2 VAL 49 3.604 -5.635 8.319 373 HG23 VAL 49 2HG2 VAL 49 2.217 -6.668 7.975 374 H ASP 50 H ASP 50 1.762 -4.171 9.271 375 HA ASP 50 HA ASP 50 3.170 -2.251 10.878 376 HB2 ASP 50 1HB ASP 50 4.992 -3.376 9.556 377 HB3 ASP 50 2HB ASP 50 4.226 -2.768 8.092 378 H THR 51 H THR 51 2.530 -0.189 10.486 379 HA THR 51 HA THR 51 0.744 0.288 8.189 380 HB THR 51 HB THR 51 0.311 1.253 11.027 381 HG1 THR 51 HG1 THR 51 -0.321 -0.897 10.810 382 HG21 THR 51 3HG2 THR 51 -1.791 2.196 10.176 383 HG22 THR 51 1HG2 THR 51 -1.345 1.706 8.540 384 HG23 THR 51 2HG2 THR 51 -0.392 2.924 9.387 385 H GLN 52 H GLN 52 1.392 1.963 6.992 386 HA GLN 52 HA GLN 52 3.005 4.057 8.291 387 HB2 GLN 52 1HB GLN 52 4.352 2.414 6.895 388 HB3 GLN 52 2HB GLN 52 3.487 3.022 5.493 389 HG2 GLN 52 1HG GLN 52 4.699 5.120 7.118 390 HG3 GLN 52 2HG GLN 52 5.859 3.975 6.448 391 HE21 GLN 52 2HE2 GLN 52 3.502 6.426 5.724 392 HE22 GLN 52 1HE2 GLN 52 3.937 6.624 4.065 393 H THR 53 H THR 53 1.632 5.729 8.337 394 HA THR 53 HA THR 53 -0.306 6.197 6.288 395 HB THR 53 HB THR 53 -0.817 6.888 8.556 396 HG1 THR 53 HG1 THR 53 -0.471 9.379 7.290 397 HG21 THR 53 3HG2 THR 53 1.489 8.815 8.300 398 HG22 THR 53 1HG2 THR 53 1.450 7.382 9.328 399 HG23 THR 53 2HG2 THR 53 0.357 8.728 9.650 400 H VAL 54 H VAL 54 -0.164 7.419 4.525 401 HA VAL 54 HA VAL 54 2.434 8.633 3.922 402 HB VAL 54 HB VAL 54 0.099 8.167 2.056 403 HG11 VAL 54 1HG1 VAL 54 1.623 9.898 1.286 404 HG12 VAL 54 2HG1 VAL 54 1.764 8.453 0.283 405 HG13 VAL 54 3HG1 VAL 54 2.992 8.806 1.499 406 HG21 VAL 54 3HG2 VAL 54 2.562 6.475 2.474 407 HG22 VAL 54 1HG2 VAL 54 1.335 6.222 1.233 408 HG23 VAL 54 2HG2 VAL 54 0.916 6.044 2.937 409 H THR 55 H THR 55 2.685 10.781 3.512 410 HA THR 55 HA THR 55 1.091 12.624 4.809 411 HB THR 55 HB THR 55 2.754 13.414 2.438 412 HG1 THR 55 HG1 THR 55 4.549 12.779 3.413 413 HG21 THR 55 3HG2 THR 55 3.360 15.287 3.905 414 HG22 THR 55 1HG2 THR 55 2.355 14.607 5.185 415 HG23 THR 55 2HG2 THR 55 1.613 15.174 3.690 416 H SER 56 H SER 56 1.099 11.740 1.384 417 HA SER 56 HA SER 56 -1.557 12.513 0.901 418 HB2 SER 56 1HB SER 56 -0.689 14.799 1.163 419 HB3 SER 56 2HB SER 56 0.560 14.479 -0.038 420 HG SER 56 HG SER 56 -2.206 14.240 -0.629 421 H LEU 57 H LEU 57 -2.174 12.066 -1.295 422 HA LEU 57 HA LEU 57 -0.045 10.999 -3.003 423 HB2 LEU 57 1HB LEU 57 -1.145 9.105 -1.851 424 HB3 LEU 57 2HB LEU 57 -2.683 9.612 -2.526 425 HG LEU 57 HG LEU 57 -1.923 9.126 -4.769 426 HD11 LEU 57 1HD1 LEU 57 0.281 8.159 -5.191 427 HD12 LEU 57 2HD1 LEU 57 0.706 8.383 -3.494 428 HD13 LEU 57 3HD1 LEU 57 0.407 9.785 -4.522 429 HD21 LEU 57 3HD2 LEU 57 -1.278 6.888 -2.856 430 HD22 LEU 57 1HD2 LEU 57 -1.587 6.703 -4.581 431 HD23 LEU 57 2HD2 LEU 57 -2.867 7.277 -3.513 432 H GLU 58 H GLU 58 -0.043 12.223 -4.712 433 HA GLU 58 HA GLU 58 -2.226 13.907 -5.389 434 HB2 GLU 58 1HB GLU 58 0.275 13.318 -6.964 435 HB3 GLU 58 2HB GLU 58 -0.811 14.682 -7.203 436 HG2 GLU 58 1HG GLU 58 -0.289 15.407 -4.879 437 HG3 GLU 58 2HG GLU 58 0.932 14.135 -4.820 438 H SER 59 H SER 59 -3.230 14.079 -7.453 439 HA SER 59 HA SER 59 -4.430 11.679 -8.309 440 HB2 SER 59 1HB SER 59 -5.323 13.173 -10.182 441 HB3 SER 59 2HB SER 59 -5.699 13.665 -8.533 442 HG SER 59 HG SER 59 -3.877 15.120 -8.681 443 H GLU 60 H GLU 60 -3.743 10.184 -9.621 444 HA GLU 60 HA GLU 60 -2.679 9.043 -11.238 445 HB2 GLU 60 1HB GLU 60 -2.330 11.769 -12.492 446 HB3 GLU 60 2HB GLU 60 -1.974 10.244 -13.295 447 HG2 GLU 60 1HG GLU 60 -4.345 9.583 -12.957 448 HG3 GLU 60 2HG GLU 60 -4.657 11.196 -12.321 449 H ASN 61 H ASN 61 -1.242 10.393 -8.939 450 HA ASN 61 HA ASN 61 1.478 9.954 -9.987 451 HB2 ASN 61 1HB ASN 61 1.038 12.273 -9.124 452 HB3 ASN 61 2HB ASN 61 0.717 11.575 -7.541 453 HD21 ASN 61 2HD2 ASN 61 2.429 12.838 -6.700 454 HD22 ASN 61 1HD2 ASN 61 4.079 12.378 -6.937 455 H SER 62 H SER 62 2.946 8.838 -8.508 456 HA SER 62 HA SER 62 1.454 6.913 -6.850 457 HB2 SER 62 1HB SER 62 4.099 6.345 -8.177 458 HB3 SER 62 2HB SER 62 2.905 5.198 -7.568 459 HG SER 62 HG SER 62 1.609 5.614 -9.298 460 H THR 63 H THR 63 2.285 6.341 -4.860 461 HA THR 63 HA THR 63 4.721 7.765 -4.008 462 HB THR 63 HB THR 63 2.694 8.614 -2.853 463 HG1 THR 63 HG1 THR 63 4.132 7.170 -0.905 464 HG21 THR 63 3HG2 THR 63 1.336 6.591 -2.854 465 HG22 THR 63 1HG2 THR 63 1.547 7.191 -1.209 466 HG23 THR 63 2HG2 THR 63 2.481 5.802 -1.769 467 H ASN 64 H ASN 64 6.244 6.613 -2.849 468 HA ASN 64 HA ASN 64 5.950 3.704 -2.985 469 HB2 ASN 64 1HB ASN 64 8.361 5.471 -2.529 470 HB3 ASN 64 2HB ASN 64 8.412 3.714 -2.457 471 HD21 ASN 64 2HD2 ASN 64 6.517 3.346 -4.629 472 HD22 ASN 64 1HD2 ASN 64 7.361 3.754 -6.079 473 H VAL 65 H VAL 65 5.130 2.772 -1.264 474 HA VAL 65 HA VAL 65 5.530 3.944 1.392 475 HB VAL 65 HB VAL 65 3.824 1.555 0.695 476 HG11 VAL 65 1HG1 VAL 65 2.603 2.181 2.728 477 HG12 VAL 65 2HG1 VAL 65 3.744 3.499 2.996 478 HG13 VAL 65 3HG1 VAL 65 4.300 1.826 3.053 479 HG21 VAL 65 3HG2 VAL 65 3.057 3.338 -0.715 480 HG22 VAL 65 1HG2 VAL 65 3.046 4.466 0.645 481 HG23 VAL 65 2HG2 VAL 65 1.907 3.119 0.606 482 H ASP 66 H ASP 66 7.167 3.182 2.608 483 HA ASP 66 HA ASP 66 8.274 0.571 1.913 484 HB2 ASP 66 1HB ASP 66 10.252 1.192 3.146 485 HB3 ASP 66 2HB ASP 66 9.831 2.496 2.049 486 H PHE 67 H PHE 67 7.748 -1.143 2.991 487 HA PHE 67 HA PHE 67 6.464 -0.865 5.601 488 HB2 PHE 67 1HB PHE 67 6.633 -3.172 3.665 489 HB3 PHE 67 2HB PHE 67 5.935 -3.317 5.274 490 HD1 PHE 67 HD2 PHE 67 4.304 -1.062 5.681 491 HD2 PHE 67 HD1 PHE 67 5.027 -3.162 2.049 492 HE1 PHE 67 HE2 PHE 67 2.132 -0.299 4.812 493 HE2 PHE 67 HE1 PHE 67 2.860 -2.399 1.174 494 HZ PHE 67 HZ PHE 67 1.410 -0.971 2.557 495 H HIS 68 H HIS 68 7.125 -1.964 7.410 496 HA HIS 68 HA HIS 68 9.945 -2.835 7.342 497 HB2 HIS 68 1HB HIS 68 8.436 -1.894 9.786 498 HB3 HIS 68 2HB HIS 68 10.179 -2.017 9.566 499 HD1 HIS 68 HD1 HIS 68 7.231 0.138 8.656 500 HD2 HIS 68 HD2 HIS 68 11.379 0.176 8.323 501 HE1 HIS 68 HE1 HIS 68 7.835 2.463 7.911 502 HE2 HIS 68 HE2 HIS 68 10.301 2.359 7.446 503 H TRP 69 H TRP 69 9.638 -5.002 6.929 504 HA TRP 69 HA TRP 69 7.989 -6.477 8.863 505 HB2 TRP 69 1HB TRP 69 6.718 -6.500 6.865 506 HB3 TRP 69 2HB TRP 69 8.138 -6.790 5.867 507 HD1 TRP 69 HD1 TRP 69 7.240 -8.877 8.986 508 HE1 TRP 69 HE1 TRP 69 6.873 -11.314 8.243 509 HE3 TRP 69 HE3 TRP 69 7.519 -8.229 3.913 510 HZ2 TRP 69 HZ2 TRP 69 6.728 -12.763 5.815 511 HZ3 TRP 69 HZ3 TRP 69 7.244 -10.188 2.462 512 HH2 TRP 69 HH2 TRP 69 6.849 -12.405 3.393 513 H THR 70 H THR 70 9.263 -7.615 10.091 514 HA THR 70 HA THR 70 11.798 -8.674 9.260 515 HB THR 70 HB THR 70 10.160 -9.282 11.731 516 HG1 THR 70 HG1 THR 70 10.690 -7.054 11.549 517 HG21 THR 70 3HG2 THR 70 11.881 -10.953 11.339 518 HG22 THR 70 1HG2 THR 70 12.327 -9.937 12.711 519 HG23 THR 70 2HG2 THR 70 13.096 -9.687 11.144 520 H LEU 71 H LEU 71 11.916 -10.419 7.940 521 HA LEU 71 HA LEU 71 9.787 -12.212 7.523 522 HB2 LEU 71 1HB LEU 71 12.504 -11.915 6.580 523 HB3 LEU 71 2HB LEU 71 12.099 -13.603 6.833 524 HG LEU 71 HG LEU 71 11.627 -13.002 4.549 525 HD11 LEU 71 1HD1 LEU 71 10.137 -14.608 5.564 526 HD12 LEU 71 2HD1 LEU 71 9.264 -13.598 4.411 527 HD13 LEU 71 3HD1 LEU 71 9.099 -13.305 6.142 528 HD21 LEU 71 3HD2 LEU 71 9.818 -10.879 5.675 529 HD22 LEU 71 1HD2 LEU 71 9.996 -11.290 3.969 530 HD23 LEU 71 2HD2 LEU 71 11.355 -10.598 4.857 531 H ASP 72 H ASP 72 9.019 -13.695 8.777 532 HA ASP 72 HA ASP 72 10.460 -14.597 11.108 533 HB2 ASP 72 1HB ASP 72 7.726 -15.368 10.069 534 HB3 ASP 72 2HB ASP 72 8.379 -15.805 11.641 535 H GLY 73 H GLY 73 9.450 -15.899 8.007 536 HA2 GLY 73 1HA GLY 73 10.216 -17.823 6.932 537 HA3 GLY 73 2HA GLY 73 11.138 -18.230 8.377 538 H THR 74 H THR 74 7.898 -17.362 8.869 539 HA THR 74 HA THR 74 7.196 -19.861 9.999 540 HB THR 74 HB THR 74 4.838 -18.766 9.950 541 HG1 THR 74 HG1 THR 74 5.188 -16.362 9.783 542 HG21 THR 74 3HG2 THR 74 7.120 -17.444 11.426 543 HG22 THR 74 1HG2 THR 74 6.241 -18.878 11.953 544 HG23 THR 74 2HG2 THR 74 5.412 -17.324 11.852 545 H ALA 75 H ALA 75 6.771 -18.430 6.853 546 HA ALA 75 HA ALA 75 5.683 -20.941 5.859 547 HB1 ALA 75 3HB ALA 75 3.704 -19.587 6.368 548 HB2 ALA 75 1HB ALA 75 3.887 -19.824 4.630 549 HB3 ALA 75 2HB ALA 75 4.336 -18.284 5.362 550 H ASN 76 H ASN 76 5.606 -20.865 3.390 551 HA ASN 76 HA ASN 76 8.039 -19.516 2.456 552 HB2 ASN 76 1HB ASN 76 6.405 -21.704 1.145 553 HB3 ASN 76 2HB ASN 76 7.902 -21.032 0.510 554 HD21 ASN 76 2HD2 ASN 76 6.468 -23.195 2.751 555 HD22 ASN 76 1HD2 ASN 76 7.935 -23.876 3.364 556 H SER 77 H SER 77 4.687 -19.317 2.372 557 HA SER 77 HA SER 77 4.839 -17.243 0.299 558 HB2 SER 77 1HB SER 77 2.550 -19.200 0.645 559 HB3 SER 77 2HB SER 77 2.661 -17.923 -0.566 560 HG SER 77 HG SER 77 4.855 -19.403 -0.748 561 H TYR 78 H TYR 78 4.131 -15.347 1.020 562 HA TYR 78 HA TYR 78 2.338 -15.329 3.363 563 HB2 TYR 78 1HB TYR 78 4.460 -13.361 2.505 564 HB3 TYR 78 2HB TYR 78 3.255 -12.996 3.731 565 HD1 TYR 78 HD2 TYR 78 6.172 -15.117 2.935 566 HD2 TYR 78 HD1 TYR 78 3.452 -13.835 5.939 567 HE1 TYR 78 HE2 TYR 78 7.628 -16.095 4.662 568 HE2 TYR 78 HE1 TYR 78 4.895 -14.804 7.673 569 HH TYR 78 HH TYR 78 6.594 -16.391 7.962 570 H THR 79 H THR 79 0.409 -14.308 3.166 571 HA THR 79 HA THR 79 -0.228 -13.226 0.533 572 HB THR 79 HB THR 79 -2.146 -13.487 2.843 573 HG1 THR 79 HG1 THR 79 -1.981 -15.579 2.682 574 HG21 THR 79 3HG2 THR 79 -3.794 -13.754 1.045 575 HG22 THR 79 1HG2 THR 79 -2.511 -13.593 -0.154 576 HG23 THR 79 2HG2 THR 79 -2.916 -12.232 0.891 577 H LEU 80 H LEU 80 0.975 -11.285 0.678 578 HA LEU 80 HA LEU 80 0.450 -9.474 2.856 579 HB2 LEU 80 1HB LEU 80 2.337 -9.593 0.599 580 HB3 LEU 80 2HB LEU 80 1.859 -7.981 1.100 581 HG LEU 80 HG LEU 80 2.634 -8.430 3.372 582 HD11 LEU 80 1HD1 LEU 80 3.862 -10.470 3.897 583 HD12 LEU 80 2HD1 LEU 80 3.481 -11.114 2.300 584 HD13 LEU 80 3HD1 LEU 80 2.189 -10.822 3.464 585 HD21 LEU 80 3HD2 LEU 80 5.024 -8.545 2.907 586 HD22 LEU 80 1HD2 LEU 80 4.192 -7.492 1.764 587 HD23 LEU 80 2HD2 LEU 80 4.682 -9.113 1.272 588 H THR 81 H THR 81 -1.183 -8.210 2.950 589 HA THR 81 HA THR 81 -2.511 -7.382 0.461 590 HB THR 81 HB THR 81 -3.720 -7.663 3.220 591 HG1 THR 81 HG1 THR 81 -3.106 -9.678 2.201 592 HG21 THR 81 3HG2 THR 81 -4.996 -7.215 0.520 593 HG22 THR 81 1HG2 THR 81 -4.863 -6.022 1.812 594 HG23 THR 81 2HG2 THR 81 -5.858 -7.460 2.039 595 H VAL 82 H VAL 82 -1.939 -5.355 0.002 596 HA VAL 82 HA VAL 82 -1.410 -3.437 2.115 597 HB VAL 82 HB VAL 82 -1.460 -3.012 -0.883 598 HG11 VAL 82 1HG1 VAL 82 -0.353 -1.283 1.328 599 HG12 VAL 82 2HG1 VAL 82 -1.798 -0.951 0.374 600 HG13 VAL 82 3HG1 VAL 82 -0.214 -0.962 -0.401 601 HG21 VAL 82 3HG2 VAL 82 0.262 -4.611 -0.279 602 HG22 VAL 82 1HG2 VAL 82 0.867 -3.522 0.969 603 HG23 VAL 82 2HG2 VAL 82 0.998 -3.072 -0.731 604 H ASN 83 H ASN 83 -3.263 -2.926 3.159 605 HA ASN 83 HA ASN 83 -5.608 -2.214 1.552 606 HB2 ASN 83 1HB ASN 83 -5.677 -3.710 3.667 607 HB3 ASN 83 2HB ASN 83 -5.476 -2.213 4.563 608 HD21 ASN 83 2HD2 ASN 83 -7.092 -0.590 2.796 609 HD22 ASN 83 1HD2 ASN 83 -8.734 -1.087 3.029 610 H VAL 84 H VAL 84 -5.587 -0.212 0.825 611 HA VAL 84 HA VAL 84 -4.121 1.873 2.122 612 HB VAL 84 HB VAL 84 -6.018 1.943 -0.230 613 HG11 VAL 84 1HG1 VAL 84 -4.196 4.104 0.820 614 HG12 VAL 84 2HG1 VAL 84 -5.959 4.122 0.860 615 HG13 VAL 84 3HG1 VAL 84 -5.110 4.169 -0.686 616 HG21 VAL 84 3HG2 VAL 84 -3.982 2.128 -1.556 617 HG22 VAL 84 1HG2 VAL 84 -3.949 0.662 -0.574 618 HG23 VAL 84 2HG2 VAL 84 -3.005 2.071 -0.087 619 H ASP 85 H ASP 85 -4.830 2.482 3.991 620 HA ASP 85 HA ASP 85 -6.069 3.260 5.690 621 HB2 ASP 85 1HB ASP 85 -6.137 5.153 3.898 622 HB3 ASP 85 2HB ASP 85 -7.835 4.706 3.746 623 HA PRO 86 HA PRO 86 -9.324 0.037 5.260 624 HB2 PRO 86 1HB PRO 86 -8.569 -0.384 8.082 625 HB3 PRO 86 2HB PRO 86 -8.674 -1.553 6.762 626 HG2 PRO 86 1HG PRO 86 -6.309 -0.765 7.747 627 HG3 PRO 86 2HG PRO 86 -6.529 -1.107 6.021 628 HD2 PRO 86 1HD PRO 86 -6.415 1.531 7.432 629 HD3 PRO 86 2HD PRO 86 -5.700 1.053 5.877 630 H GLU 87 H GLU 87 -8.814 2.793 7.168 631 HA GLU 87 HA GLU 87 -11.351 2.649 8.567 632 HB2 GLU 87 1HB GLU 87 -9.350 4.915 8.423 633 HB3 GLU 87 2HB GLU 87 -10.684 4.767 9.560 634 HG2 GLU 87 1HG GLU 87 -9.641 2.800 10.547 635 HG3 GLU 87 2HG GLU 87 -8.314 2.919 9.393 636 H ASN 88 H ASN 88 -10.147 3.648 5.589 637 HA ASN 88 HA ASN 88 -10.903 4.856 3.843 638 HB2 ASN 88 1HB ASN 88 -13.600 4.353 5.118 639 HB3 ASN 88 2HB ASN 88 -13.344 4.920 3.471 640 HD21 ASN 88 2HD2 ASN 88 -12.259 3.492 1.977 641 HD22 ASN 88 1HD2 ASN 88 -12.372 1.780 2.209 642 H ALA 89 H ALA 89 -9.904 6.367 5.897 643 HA ALA 89 HA ALA 89 -11.540 8.533 6.683 644 HB1 ALA 89 3HB ALA 89 -9.447 9.692 7.172 645 HB2 ALA 89 1HB ALA 89 -8.552 8.475 6.263 646 HB3 ALA 89 2HB ALA 89 -9.394 8.025 7.746 647 H VAL 90 H VAL 90 -9.585 7.922 3.842 648 HA VAL 90 HA VAL 90 -10.781 10.295 2.572 649 HB VAL 90 HB VAL 90 -8.382 8.720 1.603 650 HG11 VAL 90 1HG1 VAL 90 -9.535 11.363 0.719 651 HG12 VAL 90 2HG1 VAL 90 -9.598 9.844 -0.175 652 HG13 VAL 90 3HG1 VAL 90 -8.048 10.640 0.105 653 HG21 VAL 90 3HG2 VAL 90 -7.828 9.838 3.691 654 HG22 VAL 90 1HG2 VAL 90 -8.446 11.363 3.058 655 HG23 VAL 90 2HG2 VAL 90 -7.019 10.622 2.335 656 H ASN 91 H ASN 91 -12.678 9.539 1.772 657 HA ASN 91 HA ASN 91 -13.196 6.863 1.141 658 HB2 ASN 91 1HB ASN 91 -14.924 8.621 1.663 659 HB3 ASN 91 2HB ASN 91 -14.699 9.235 0.027 660 HD21 ASN 91 2HD2 ASN 91 -15.283 7.888 -1.738 661 HD22 ASN 91 1HD2 ASN 91 -16.431 6.613 -1.541 662 H GLU 92 H GLU 92 -12.356 5.722 -0.410 663 HA GLU 92 HA GLU 92 -11.087 6.989 -2.659 664 HB2 GLU 92 1HB GLU 92 -11.374 4.026 -2.218 665 HB3 GLU 92 2HB GLU 92 -10.120 4.881 -3.104 666 HG2 GLU 92 1HG GLU 92 -8.962 4.412 -1.217 667 HG3 GLU 92 2HG GLU 92 -9.674 5.945 -0.722 668 H GLY 93 H GLY 93 -11.314 6.082 -4.829 669 HA2 GLY 93 1HA GLY 93 -13.863 6.282 -5.912 670 HA3 GLY 93 2HA GLY 93 -12.476 5.569 -6.719 671 H ASN 94 H ASN 94 -12.334 3.380 -6.928 672 HA ASN 94 HA ASN 94 -14.805 1.948 -6.557 673 HB2 ASN 94 1HB ASN 94 -13.418 1.603 -8.566 674 HB3 ASN 94 2HB ASN 94 -12.133 0.942 -7.559 675 HD21 ASN 94 2HD2 ASN 94 -12.141 -1.056 -8.517 676 HD22 ASN 94 1HD2 ASN 94 -13.454 -2.181 -8.354 677 H GLU 95 H GLU 95 -15.208 0.216 -5.248 678 HA GLU 95 HA GLU 95 -14.221 0.403 -2.643 679 HB2 GLU 95 1HB GLU 95 -15.643 -1.982 -3.826 680 HB3 GLU 95 2HB GLU 95 -15.629 -1.476 -2.143 681 HG2 GLU 95 1HG GLU 95 -16.891 0.028 -4.423 682 HG3 GLU 95 2HG GLU 95 -17.743 -0.950 -3.231 683 H SER 96 H SER 96 -13.466 -1.926 -5.204 684 HA SER 96 HA SER 96 -11.774 -3.458 -3.404 685 HB2 SER 96 1HB SER 96 -12.370 -3.897 -6.338 686 HB3 SER 96 2HB SER 96 -11.603 -5.046 -5.241 687 HG SER 96 HG SER 96 -13.494 -5.604 -4.528 688 H ASN 97 H ASN 97 -11.262 -0.681 -4.954 689 HA ASN 97 HA ASN 97 -8.807 -1.368 -6.333 690 HB2 ASN 97 1HB ASN 97 -10.496 1.074 -6.118 691 HB3 ASN 97 2HB ASN 97 -8.797 1.281 -6.524 692 HD21 ASN 97 2HD2 ASN 97 -9.411 2.066 -8.574 693 HD22 ASN 97 1HD2 ASN 97 -9.925 0.979 -9.823 694 H ASN 98 H ASN 98 -9.732 -0.192 -3.220 695 HA ASN 98 HA ASN 98 -7.217 1.146 -2.736 696 HB2 ASN 98 1HB ASN 98 -8.091 1.820 -0.661 697 HB3 ASN 98 2HB ASN 98 -9.484 1.816 -1.736 698 HD21 ASN 98 2HD2 ASN 98 -9.279 1.591 1.181 699 HD22 ASN 98 1HD2 ASN 98 -10.090 0.107 1.592 700 H THR 99 H THR 99 -8.093 -2.036 -2.792 701 HA THR 99 HA THR 99 -6.142 -2.729 -0.697 702 HB THR 99 HB THR 99 -8.275 -4.592 -1.705 703 HG1 THR 99 HG1 THR 99 -8.968 -2.457 -0.588 704 HG21 THR 99 3HG2 THR 99 -7.907 -5.709 0.440 705 HG22 THR 99 1HG2 THR 99 -6.686 -4.505 0.855 706 HG23 THR 99 2HG2 THR 99 -6.416 -5.606 -0.495 707 H LEU 100 H LEU 100 -4.739 -4.454 -1.111 708 HA LEU 100 HA LEU 100 -4.542 -5.450 -3.853 709 HB2 LEU 100 1HB LEU 100 -3.047 -3.536 -3.822 710 HB3 LEU 100 2HB LEU 100 -2.298 -4.101 -2.342 711 HG LEU 100 HG LEU 100 -1.465 -6.098 -3.603 712 HD11 LEU 100 1HD1 LEU 100 -2.451 -4.548 -5.991 713 HD12 LEU 100 2HD1 LEU 100 -3.090 -6.087 -5.413 714 HD13 LEU 100 3HD1 LEU 100 -1.444 -5.996 -6.040 715 HD21 LEU 100 3HD2 LEU 100 0.327 -4.883 -4.740 716 HD22 LEU 100 1HD2 LEU 100 -0.030 -4.179 -3.163 717 HD23 LEU 100 2HD2 LEU 100 -0.614 -3.395 -4.631 718 H THR 101 H THR 101 -4.897 -7.548 -3.398 719 HA THR 101 HA THR 101 -3.425 -8.786 -1.181 720 HB THR 101 HB THR 101 -5.531 -10.053 -2.942 721 HG1 THR 101 HG1 THR 101 -5.799 -8.117 -1.100 722 HG21 THR 101 3HG2 THR 101 -4.497 -10.761 -0.192 723 HG22 THR 101 1HG2 THR 101 -4.138 -11.628 -1.685 724 HG23 THR 101 2HG2 THR 101 -5.786 -11.601 -1.055 725 H ALA 102 H ALA 102 -1.398 -9.317 -1.806 726 HA ALA 102 HA ALA 102 -1.122 -10.891 -4.277 727 HB1 ALA 102 3HB ALA 102 -0.381 -8.601 -4.737 728 HB2 ALA 102 1HB ALA 102 0.960 -9.745 -4.812 729 HB3 ALA 102 2HB ALA 102 0.764 -8.706 -3.400 730 H LEU 103 H LEU 103 0.100 -12.674 -4.100 731 HA LEU 103 HA LEU 103 1.132 -13.397 -1.511 732 HB2 LEU 103 1HB LEU 103 1.157 -14.804 -4.174 733 HB3 LEU 103 2HB LEU 103 1.873 -15.480 -2.725 734 HG LEU 103 HG LEU 103 -1.043 -14.803 -3.071 735 HD11 LEU 103 1HD1 LEU 103 -1.360 -17.231 -3.087 736 HD12 LEU 103 2HD1 LEU 103 0.389 -17.453 -3.045 737 HD13 LEU 103 3HD1 LEU 103 -0.370 -16.694 -4.444 738 HD21 LEU 103 3HD2 LEU 103 -0.295 -14.583 -0.761 739 HD22 LEU 103 1HD2 LEU 103 0.412 -16.197 -0.829 740 HD23 LEU 103 2HD2 LEU 103 -1.335 -15.994 -0.956 741 H VAL 104 H VAL 104 3.108 -13.071 -0.810 742 HA VAL 104 HA VAL 104 5.242 -12.641 -2.794 743 HB VAL 104 HB VAL 104 6.570 -11.590 -1.004 744 HG11 VAL 104 1HG1 VAL 104 5.255 -9.516 -0.772 745 HG12 VAL 104 2HG1 VAL 104 3.848 -10.366 -1.414 746 HG13 VAL 104 3HG1 VAL 104 5.278 -10.138 -2.423 747 HG21 VAL 104 3HG2 VAL 104 5.467 -10.926 1.106 748 HG22 VAL 104 1HG2 VAL 104 5.675 -12.672 0.949 749 HG23 VAL 104 2HG2 VAL 104 4.093 -11.944 0.673 750 H GLY 105 H GLY 105 6.984 -14.002 -2.825 751 HA2 GLY 105 1HA GLY 105 6.700 -16.355 -1.061 752 HA3 GLY 105 2HA GLY 105 7.447 -16.369 -2.655 753 H THR 106 H THR 106 8.850 -17.471 -0.598 754 HA THR 106 HA THR 106 10.720 -15.469 0.334 755 HB THR 106 HB THR 106 11.961 -17.458 1.246 756 HG1 THR 106 HG1 THR 106 10.087 -19.260 1.293 757 HG21 THR 106 3HG2 THR 106 9.076 -17.132 2.074 758 HG22 THR 106 1HG2 THR 106 10.435 -16.157 2.633 759 HG23 THR 106 2HG2 THR 106 10.347 -17.868 3.051 760 H LEU 107 H LEU 107 12.534 -14.894 -0.678 761 HA LEU 107 HA LEU 107 12.900 -15.659 -3.368 762 HB2 LEU 107 1HB LEU 107 13.519 -13.445 -2.404 763 HB3 LEU 107 2HB LEU 107 14.866 -14.217 -1.591 764 HG LEU 107 HG LEU 107 15.872 -14.793 -3.743 765 HD11 LEU 107 1HD1 LEU 107 13.507 -13.357 -4.943 766 HD12 LEU 107 2HD1 LEU 107 13.844 -15.085 -5.051 767 HD13 LEU 107 3HD1 LEU 107 14.923 -13.926 -5.828 768 HD21 LEU 107 3HD2 LEU 107 16.420 -12.526 -4.495 769 HD22 LEU 107 1HD2 LEU 107 16.448 -12.655 -2.736 770 HD23 LEU 107 2HD2 LEU 107 15.078 -11.891 -3.543 771 H GLU 108 H GLU 108 14.162 -17.114 -4.319 772 HA GLU 108 HA GLU 108 15.161 -19.287 -2.874 773 HB2 GLU 108 1HB GLU 108 14.461 -19.438 -5.225 774 HB3 GLU 108 2HB GLU 108 15.817 -18.423 -5.697 775 HG2 GLU 108 1HG GLU 108 17.322 -20.188 -4.715 776 HG3 GLU 108 2HG GLU 108 15.893 -21.214 -4.598 777 H HIS 109 H HIS 109 16.811 -16.543 -4.393 778 HA HIS 109 HA HIS 109 19.387 -17.409 -3.394 779 HB2 HIS 109 1HB HIS 109 18.547 -14.949 -4.939 780 HB3 HIS 109 2HB HIS 109 20.203 -15.272 -4.437 781 HD1 HIS 109 HD1 HIS 109 21.438 -17.253 -5.616 782 HD2 HIS 109 HD2 HIS 109 17.679 -16.360 -7.167 783 HE1 HIS 109 HE1 HIS 109 21.303 -18.463 -7.821 784 HE2 HIS 109 HE2 HIS 109 19.026 -17.904 -8.749 785 H HIS 110 H HIS 110 20.113 -16.947 -1.456 786 HA HIS 110 HA HIS 110 18.813 -14.768 0.043 787 HB2 HIS 110 1HB HIS 110 20.419 -17.101 1.116 788 HB3 HIS 110 2HB HIS 110 19.534 -15.918 2.071 789 HD1 HIS 110 HD1 HIS 110 19.201 -19.229 1.438 790 HD2 HIS 110 HD2 HIS 110 16.632 -16.044 0.700 791 HE1 HIS 110 HE1 HIS 110 16.908 -20.240 1.233 792 HE2 HIS 110 HE2 HIS 110 15.434 -18.326 0.519 793 H HIS 111 H HIS 111 20.001 -13.135 0.915 794 HA HIS 111 HA HIS 111 22.585 -12.613 -0.151 795 HB2 HIS 111 1HB HIS 111 20.918 -10.853 0.497 796 HB3 HIS 111 2HB HIS 111 21.232 -11.242 2.185 797 HD1 HIS 111 HD1 HIS 111 23.191 -10.111 3.273 798 HD2 HIS 111 HD2 HIS 111 23.206 -9.710 -0.870 799 HE1 HIS 111 HE1 HIS 111 25.033 -8.480 2.753 800 HE2 HIS 111 HE2 HIS 111 25.156 -8.417 0.237 801 H HIS 112 H HIS 112 21.380 -14.109 2.716 802 HA HIS 112 HA HIS 112 24.117 -14.848 3.444 803 HB2 HIS 112 1HB HIS 112 23.220 -12.923 4.900 804 HB3 HIS 112 2HB HIS 112 22.080 -14.096 5.547 805 HD1 HIS 112 HD1 HIS 112 22.849 -15.047 7.697 806 HD2 HIS 112 HD2 HIS 112 26.033 -14.084 5.191 807 HE1 HIS 112 HE1 HIS 112 24.932 -15.621 8.985 808 HE2 HIS 112 HE2 HIS 112 26.838 -15.122 7.416 809 H HIS 113 H HIS 113 24.272 -16.960 4.214 810 HA HIS 113 HA HIS 113 22.362 -18.812 3.401 811 HB2 HIS 113 1HB HIS 113 24.805 -19.227 3.965 812 HB3 HIS 113 2HB HIS 113 24.328 -19.250 5.657 813 HD1 HIS 113 HD1 HIS 113 24.974 -21.464 2.969 814 HD2 HIS 113 HD2 HIS 113 22.168 -21.360 6.034 815 HE1 HIS 113 HE1 HIS 113 24.108 -23.811 3.173 816 HE2 HIS 113 HE2 HIS 113 22.247 -23.663 4.858 817 H HIS 114 H HIS 114 23.117 -17.882 6.751 818 HA HIS 114 HA HIS 114 20.321 -17.641 7.378 819 HB2 HIS 114 1HB HIS 114 20.575 -20.028 7.771 820 HB3 HIS 114 2HB HIS 114 22.014 -19.750 8.745 821 HD1 HIS 114 HD1 HIS 114 18.441 -18.387 8.910 822 HD2 HIS 114 HD2 HIS 114 21.381 -20.053 11.341 823 HE1 HIS 114 HE1 HIS 114 17.452 -18.458 11.223 824 HE2 HIS 114 HE2 HIS 114 19.332 -19.255 12.705 Start of MODEL 2 1 H1 MET 1 1H MET 1 -15.890 15.729 -7.680 2 H2 MET 1 2H MET 1 -16.847 14.413 -8.160 3 H3 MET 1 3H MET 1 -16.332 15.551 -9.309 4 HA MET 1 HA MET 1 -15.053 13.539 -9.484 5 HB2 MET 1 1HB MET 1 -13.629 15.978 -8.438 6 HB3 MET 1 2HB MET 1 -12.751 14.561 -8.995 7 HG2 MET 1 1HG MET 1 -13.804 14.783 -11.192 8 HG3 MET 1 2HG MET 1 -14.658 16.219 -10.629 9 HE1 MET 1 3HE MET 1 -11.914 17.542 -13.154 10 HE2 MET 1 1HE MET 1 -13.643 17.439 -12.821 11 HE3 MET 1 2HE MET 1 -12.737 15.984 -13.239 12 H ILE 2 H ILE 2 -14.342 11.776 -8.536 13 HA ILE 2 HA ILE 2 -13.754 11.862 -5.650 14 HB ILE 2 HB ILE 2 -15.352 10.057 -7.286 15 HG12 ILE 2 1HG1 ILE 2 -15.004 10.232 -4.294 16 HG13 ILE 2 2HG1 ILE 2 -16.078 11.265 -5.236 17 HG21 ILE 2 1HG2 ILE 2 -14.702 7.958 -6.205 18 HG22 ILE 2 2HG2 ILE 2 -13.321 8.774 -5.469 19 HG23 ILE 2 3HG2 ILE 2 -13.414 8.605 -7.223 20 HD11 ILE 2 3HD1 ILE 2 -17.307 9.466 -4.178 21 HD12 ILE 2 1HD1 ILE 2 -16.272 8.273 -4.962 22 HD13 ILE 2 2HD1 ILE 2 -17.341 9.287 -5.932 23 HA PRO 3 HA PRO 3 -9.699 10.389 -6.908 24 HB2 PRO 3 1HB PRO 3 -8.652 9.977 -4.461 25 HB3 PRO 3 2HB PRO 3 -8.890 11.602 -5.114 26 HG2 PRO 3 1HG PRO 3 -10.474 10.127 -3.075 27 HG3 PRO 3 2HG PRO 3 -10.137 11.861 -3.204 28 HD2 PRO 3 1HD PRO 3 -12.501 10.579 -3.982 29 HD3 PRO 3 2HD PRO 3 -12.004 12.217 -4.445 30 H ASP 4 H ASP 4 -8.512 8.384 -6.859 31 HA ASP 4 HA ASP 4 -9.886 6.132 -5.611 32 HB2 ASP 4 1HB ASP 4 -10.747 6.339 -7.946 33 HB3 ASP 4 2HB ASP 4 -9.098 6.168 -8.535 34 H LEU 5 H LEU 5 -8.401 5.141 -4.442 35 HA LEU 5 HA LEU 5 -5.593 5.615 -5.138 36 HB2 LEU 5 1HB LEU 5 -6.727 4.511 -2.563 37 HB3 LEU 5 2HB LEU 5 -5.107 5.127 -2.831 38 HG LEU 5 HG LEU 5 -7.600 6.830 -2.943 39 HD11 LEU 5 1HD1 LEU 5 -6.891 7.687 -0.765 40 HD12 LEU 5 2HD1 LEU 5 -5.585 6.502 -0.723 41 HD13 LEU 5 3HD1 LEU 5 -7.265 5.965 -0.692 42 HD21 LEU 5 3HD2 LEU 5 -5.622 7.600 -4.247 43 HD22 LEU 5 1HD2 LEU 5 -4.707 7.625 -2.740 44 HD23 LEU 5 2HD2 LEU 5 -6.098 8.691 -2.944 45 H VAL 6 H VAL 6 -4.375 3.975 -5.862 46 HA VAL 6 HA VAL 6 -5.498 1.257 -5.599 47 HB VAL 6 HB VAL 6 -3.882 2.224 -7.959 48 HG11 VAL 6 1HG1 VAL 6 -4.871 0.299 -9.095 49 HG12 VAL 6 2HG1 VAL 6 -5.736 -0.125 -7.618 50 HG13 VAL 6 3HG1 VAL 6 -3.974 -0.179 -7.653 51 HG21 VAL 6 3HG2 VAL 6 -5.969 3.585 -7.725 52 HG22 VAL 6 1HG2 VAL 6 -6.890 2.091 -7.891 53 HG23 VAL 6 2HG2 VAL 6 -5.870 2.646 -9.216 54 HA PRO 7 HA PRO 7 -1.186 0.280 -4.687 55 HB2 PRO 7 1HB PRO 7 -1.818 -2.274 -3.787 56 HB3 PRO 7 2HB PRO 7 -1.772 -0.827 -2.779 57 HG2 PRO 7 1HG PRO 7 -4.057 -2.379 -3.451 58 HG3 PRO 7 2HG PRO 7 -4.024 -0.842 -2.572 59 HD2 PRO 7 1HD PRO 7 -4.588 -1.371 -5.446 60 HD3 PRO 7 2HD PRO 7 -5.203 -0.079 -4.389 61 H VAL 8 H VAL 8 -0.305 0.079 -6.696 62 HA VAL 8 HA VAL 8 -1.513 -1.688 -8.621 63 HB VAL 8 HB VAL 8 0.151 -0.757 -10.217 64 HG11 VAL 8 1HG1 VAL 8 -0.813 1.498 -10.265 65 HG12 VAL 8 2HG1 VAL 8 -1.431 1.262 -8.629 66 HG13 VAL 8 3HG1 VAL 8 -2.038 0.267 -9.953 67 HG21 VAL 8 3HG2 VAL 8 1.496 1.179 -9.523 68 HG22 VAL 8 1HG2 VAL 8 1.978 -0.292 -8.677 69 HG23 VAL 8 2HG2 VAL 8 0.995 0.919 -7.852 70 H SER 9 H SER 9 1.328 -1.757 -6.603 71 HA SER 9 HA SER 9 1.858 -4.464 -7.325 72 HB2 SER 9 1HB SER 9 2.845 -3.250 -9.269 73 HB3 SER 9 2HB SER 9 3.923 -2.411 -8.154 74 HG SER 9 HG SER 9 4.335 -4.713 -9.309 75 H LEU 10 H LEU 10 3.585 -5.399 -6.096 76 HA LEU 10 HA LEU 10 4.578 -3.761 -3.864 77 HB2 LEU 10 1HB LEU 10 2.875 -5.130 -2.921 78 HB3 LEU 10 2HB LEU 10 3.388 -6.529 -3.839 79 HG LEU 10 HG LEU 10 5.443 -6.650 -2.455 80 HD11 LEU 10 1HD1 LEU 10 5.547 -5.375 -0.374 81 HD12 LEU 10 2HD1 LEU 10 4.124 -4.455 -0.867 82 HD13 LEU 10 3HD1 LEU 10 5.624 -4.321 -1.787 83 HD21 LEU 10 3HD2 LEU 10 4.333 -7.482 -0.446 84 HD22 LEU 10 1HD2 LEU 10 3.486 -7.985 -1.908 85 HD23 LEU 10 2HD2 LEU 10 2.847 -6.665 -0.929 86 H THR 11 H THR 11 6.710 -3.772 -3.738 87 HA THR 11 HA THR 11 8.204 -5.974 -4.998 88 HB THR 11 HB THR 11 9.996 -4.345 -5.515 89 HG1 THR 11 HG1 THR 11 8.556 -2.759 -3.955 90 HG21 THR 11 3HG2 THR 11 8.382 -4.967 -7.241 91 HG22 THR 11 1HG2 THR 11 8.874 -3.283 -7.421 92 HG23 THR 11 2HG2 THR 11 7.306 -3.673 -6.715 93 HA PRO 12 HA PRO 12 9.796 -6.963 -4.996 94 HB2 PRO 12 1HB PRO 12 11.255 -8.955 -3.955 95 HB3 PRO 12 2HB PRO 12 11.954 -7.366 -4.287 96 HG2 PRO 12 1HG PRO 12 11.222 -8.602 -1.697 97 HG3 PRO 12 2HG PRO 12 12.459 -7.388 -2.056 98 HD2 PRO 12 1HD PRO 12 9.848 -6.958 -1.003 99 HD3 PRO 12 2HD PRO 12 11.045 -5.733 -1.462 100 H VAL 13 H VAL 13 9.392 -9.320 -5.510 101 HA VAL 13 HA VAL 13 6.947 -10.162 -4.163 102 HB VAL 13 HB VAL 13 6.610 -11.680 -6.008 103 HG11 VAL 13 1HG1 VAL 13 7.555 -8.963 -6.922 104 HG12 VAL 13 2HG1 VAL 13 5.931 -9.395 -6.385 105 HG13 VAL 13 3HG1 VAL 13 6.570 -10.066 -7.885 106 HG21 VAL 13 3HG2 VAL 13 8.914 -12.426 -6.327 107 HG22 VAL 13 1HG2 VAL 13 9.345 -10.844 -6.977 108 HG23 VAL 13 2HG2 VAL 13 8.213 -11.878 -7.850 109 H THR 14 H THR 14 10.235 -10.816 -4.024 110 HA THR 14 HA THR 14 9.715 -13.305 -2.561 111 HB THR 14 HB THR 14 12.321 -13.527 -3.031 112 HG1 THR 14 HG1 THR 14 11.408 -12.264 -5.402 113 HG21 THR 14 3HG2 THR 14 10.637 -15.196 -3.625 114 HG22 THR 14 1HG2 THR 14 11.788 -14.974 -4.942 115 HG23 THR 14 2HG2 THR 14 10.184 -14.243 -5.038 116 H VAL 15 H VAL 15 10.940 -13.590 -0.584 117 HA VAL 15 HA VAL 15 12.231 -11.165 0.450 118 HB VAL 15 HB VAL 15 10.921 -11.364 2.578 119 HG11 VAL 15 1HG1 VAL 15 8.914 -10.241 1.737 120 HG12 VAL 15 2HG1 VAL 15 9.317 -10.756 0.100 121 HG13 VAL 15 3HG1 VAL 15 10.377 -9.637 0.958 122 HG21 VAL 15 3HG2 VAL 15 9.181 -13.188 0.920 123 HG22 VAL 15 1HG2 VAL 15 8.771 -12.550 2.513 124 HG23 VAL 15 2HG2 VAL 15 10.138 -13.651 2.328 125 H VAL 16 H VAL 16 13.421 -11.489 2.397 126 HA VAL 16 HA VAL 16 14.459 -14.220 2.648 127 HB VAL 16 HB VAL 16 15.621 -11.668 3.784 128 HG11 VAL 16 1HG1 VAL 16 16.854 -14.377 3.305 129 HG12 VAL 16 2HG1 VAL 16 16.407 -13.699 4.871 130 HG13 VAL 16 3HG1 VAL 16 17.695 -12.954 3.924 131 HG21 VAL 16 3HG2 VAL 16 17.177 -11.696 1.883 132 HG22 VAL 16 1HG2 VAL 16 15.506 -11.465 1.370 133 HG23 VAL 16 2HG2 VAL 16 16.277 -13.039 1.180 134 HA PRO 17 HA PRO 17 12.543 -14.263 6.721 135 HB2 PRO 17 1HB PRO 17 12.833 -16.865 7.230 136 HB3 PRO 17 2HB PRO 17 11.728 -16.304 5.971 137 HG2 PRO 17 1HG PRO 17 14.419 -17.548 5.710 138 HG3 PRO 17 2HG PRO 17 13.010 -17.680 4.646 139 HD2 PRO 17 1HD PRO 17 15.248 -15.984 4.297 140 HD3 PRO 17 2HD PRO 17 13.733 -15.949 3.374 141 H ASN 18 H ASN 18 15.669 -14.045 6.100 142 HA ASN 18 HA ASN 18 16.675 -15.150 8.624 143 HB2 ASN 18 1HB ASN 18 18.215 -14.063 6.256 144 HB3 ASN 18 2HB ASN 18 18.907 -14.865 7.662 145 HD21 ASN 18 2HD2 ASN 18 19.009 -15.520 4.803 146 HD22 ASN 18 1HD2 ASN 18 18.426 -17.146 4.676 147 H THR 19 H THR 19 15.694 -12.229 7.271 148 HA THR 19 HA THR 19 16.725 -10.685 9.465 149 HB THR 19 HB THR 19 18.690 -10.702 7.965 150 HG1 THR 19 HG1 THR 19 18.167 -8.131 7.475 151 HG21 THR 19 3HG2 THR 19 17.553 -11.035 5.836 152 HG22 THR 19 1HG2 THR 19 18.579 -9.603 5.771 153 HG23 THR 19 2HG2 THR 19 16.834 -9.429 5.951 154 H VAL 20 H VAL 20 16.075 -8.273 9.063 155 HA VAL 20 HA VAL 20 13.322 -8.232 8.351 156 HB VAL 20 HB VAL 20 15.147 -5.862 8.819 157 HG11 VAL 20 1HG1 VAL 20 12.129 -6.088 8.828 158 HG12 VAL 20 2HG1 VAL 20 13.112 -5.249 7.624 159 HG13 VAL 20 3HG1 VAL 20 13.051 -4.651 9.283 160 HG21 VAL 20 3HG2 VAL 20 14.229 -5.848 11.081 161 HG22 VAL 20 1HG2 VAL 20 15.064 -7.366 10.750 162 HG23 VAL 20 2HG2 VAL 20 13.301 -7.303 10.721 163 H ASN 21 H ASN 21 12.363 -7.643 6.577 164 HA ASN 21 HA ASN 21 14.022 -7.036 4.236 165 HB2 ASN 21 1HB ASN 21 12.322 -8.221 2.876 166 HB3 ASN 21 2HB ASN 21 13.116 -9.279 4.035 167 HD21 ASN 21 2HD2 ASN 21 11.955 -10.151 5.704 168 HD22 ASN 21 1HD2 ASN 21 10.232 -10.057 5.791 169 H THR 22 H THR 22 13.379 -5.347 2.931 170 HA THR 22 HA THR 22 11.336 -3.680 4.242 171 HB THR 22 HB THR 22 13.603 -2.743 2.465 172 HG1 THR 22 HG1 THR 22 14.182 -3.822 4.561 173 HG21 THR 22 3HG2 THR 22 13.170 -0.566 3.502 174 HG22 THR 22 1HG2 THR 22 11.851 -1.273 4.437 175 HG23 THR 22 2HG2 THR 22 11.735 -1.178 2.680 176 H MET 23 H MET 23 9.624 -3.228 3.177 177 HA MET 23 HA MET 23 9.338 -4.410 0.508 178 HB2 MET 23 1HB MET 23 7.338 -4.212 2.768 179 HB3 MET 23 2HB MET 23 7.014 -4.912 1.188 180 HG2 MET 23 1HG MET 23 9.067 -5.924 3.143 181 HG3 MET 23 2HG MET 23 7.455 -6.601 2.916 182 HE1 MET 23 3HE MET 23 6.685 -7.950 0.820 183 HE2 MET 23 1HE MET 23 7.627 -8.084 -0.665 184 HE3 MET 23 2HE MET 23 6.984 -6.520 -0.166 185 H THR 24 H THR 24 8.702 -3.123 -1.092 186 HA THR 24 HA THR 24 7.645 -0.486 -0.317 187 HB THR 24 HB THR 24 9.085 -1.203 -2.880 188 HG1 THR 24 HG1 THR 24 10.021 -0.457 -0.355 189 HG21 THR 24 3HG2 THR 24 8.426 1.467 -1.626 190 HG22 THR 24 1HG2 THR 24 7.628 0.762 -3.032 191 HG23 THR 24 2HG2 THR 24 9.329 1.222 -3.122 192 H ALA 25 H ALA 25 5.710 -0.030 -0.886 193 HA ALA 25 HA ALA 25 4.285 -1.642 -2.883 194 HB1 ALA 25 3HB ALA 25 3.222 -0.443 -0.321 195 HB2 ALA 25 1HB ALA 25 3.534 -2.154 -0.610 196 HB3 ALA 25 2HB ALA 25 2.270 -1.324 -1.517 197 H THR 26 H THR 26 3.129 -0.471 -4.410 198 HA THR 26 HA THR 26 3.705 2.415 -4.277 199 HB THR 26 HB THR 26 3.407 0.676 -6.739 200 HG1 THR 26 HG1 THR 26 5.777 1.818 -5.627 201 HG21 THR 26 3HG2 THR 26 4.328 2.610 -7.937 202 HG22 THR 26 1HG2 THR 26 4.343 3.535 -6.435 203 HG23 THR 26 2HG2 THR 26 2.810 3.016 -7.137 204 H ILE 27 H ILE 27 2.090 3.712 -4.211 205 HA ILE 27 HA ILE 27 -0.619 2.705 -4.808 206 HB ILE 27 HB ILE 27 -0.017 4.911 -2.848 207 HG12 ILE 27 1HG1 ILE 27 1.292 2.993 -2.075 208 HG13 ILE 27 2HG1 ILE 27 -0.074 3.278 -1.007 209 HG21 ILE 27 1HG2 ILE 27 -2.306 4.688 -3.582 210 HG22 ILE 27 2HG2 ILE 27 -2.159 4.248 -1.880 211 HG23 ILE 27 3HG2 ILE 27 -2.317 2.989 -3.107 212 HD11 ILE 27 3HD1 ILE 27 0.053 1.166 -3.147 213 HD12 ILE 27 1HD1 ILE 27 -1.266 1.419 -2.002 214 HD13 ILE 27 2HD1 ILE 27 0.319 0.902 -1.423 215 H GLU 28 H GLU 28 -1.565 3.754 -6.434 216 HA GLU 28 HA GLU 28 -0.633 6.481 -7.050 217 HB2 GLU 28 1HB GLU 28 0.082 4.770 -8.716 218 HB3 GLU 28 2HB GLU 28 -1.610 4.396 -9.015 219 HG2 GLU 28 1HG GLU 28 -1.997 6.589 -9.898 220 HG3 GLU 28 2HG GLU 28 -0.372 7.103 -9.447 221 H ASN 29 H ASN 29 -2.142 8.015 -7.028 222 HA ASN 29 HA ASN 29 -4.911 7.273 -6.615 223 HB2 ASN 29 1HB ASN 29 -4.039 9.101 -5.279 224 HB3 ASN 29 2HB ASN 29 -3.555 9.977 -6.727 225 HD21 ASN 29 2HD2 ASN 29 -4.789 11.742 -6.043 226 HD22 ASN 29 1HD2 ASN 29 -6.513 11.770 -6.210 227 H GLN 30 H GLN 30 -5.749 6.483 -8.434 228 HA GLN 30 HA GLN 30 -5.225 7.848 -10.968 229 HB2 GLN 30 1HB GLN 30 -6.541 5.176 -10.435 230 HB3 GLN 30 2HB GLN 30 -6.126 5.825 -12.018 231 HG2 GLN 30 1HG GLN 30 -3.759 5.810 -11.397 232 HG3 GLN 30 2HG GLN 30 -4.183 5.137 -9.826 233 HE21 GLN 30 2HE2 GLN 30 -2.466 4.069 -11.898 234 HE22 GLN 30 1HE2 GLN 30 -3.123 2.515 -12.316 235 H GLY 31 H GLY 31 -6.665 9.462 -9.640 236 HA2 GLY 31 1HA GLY 31 -9.305 9.299 -10.891 237 HA3 GLY 31 2HA GLY 31 -9.224 9.581 -9.155 238 H ASN 32 H ASN 32 -10.453 11.467 -10.630 239 HA ASN 32 HA ASN 32 -8.623 13.397 -11.697 240 HB2 ASN 32 1HB ASN 32 -11.593 13.465 -11.184 241 HB3 ASN 32 2HB ASN 32 -10.713 14.829 -11.860 242 HD21 ASN 32 2HD2 ASN 32 -11.879 11.606 -12.417 243 HD22 ASN 32 1HD2 ASN 32 -11.624 11.600 -14.134 244 H LYS 33 H LYS 33 -9.906 12.789 -8.572 245 HA LYS 33 HA LYS 33 -9.325 15.532 -7.718 246 HB2 LYS 33 1HB LYS 33 -11.544 14.599 -7.137 247 HB3 LYS 33 2HB LYS 33 -10.752 13.328 -6.217 248 HG2 LYS 33 1HG LYS 33 -9.891 14.909 -4.645 249 HG3 LYS 33 2HG LYS 33 -10.453 16.263 -5.626 250 HD2 LYS 33 1HD LYS 33 -12.774 15.541 -5.264 251 HD3 LYS 33 2HD LYS 33 -12.193 14.211 -4.261 252 HE2 LYS 33 1HE LYS 33 -12.963 16.112 -2.914 253 HE3 LYS 33 2HE LYS 33 -11.250 15.781 -2.674 254 HZ1 LYS 33 3HZ LYS 33 -10.689 17.613 -4.096 255 HZ2 LYS 33 1HZ LYS 33 -11.757 18.162 -2.897 256 HZ3 LYS 33 2HZ LYS 33 -12.320 17.891 -4.475 257 H ASP 34 H ASP 34 -7.783 16.018 -6.269 258 HA ASP 34 HA ASP 34 -5.669 14.115 -5.842 259 HB2 ASP 34 1HB ASP 34 -5.614 16.739 -6.201 260 HB3 ASP 34 2HB ASP 34 -5.786 16.768 -4.451 261 H SER 35 H SER 35 -5.064 13.146 -3.881 262 HA SER 35 HA SER 35 -7.184 13.199 -1.852 263 HB2 SER 35 1HB SER 35 -6.200 10.947 -1.181 264 HB3 SER 35 2HB SER 35 -7.014 11.014 -2.744 265 HG SER 35 HG SER 35 -4.299 11.574 -2.779 266 H THR 36 H THR 36 -6.592 12.963 0.385 267 HA THR 36 HA THR 36 -4.199 14.529 0.986 268 HB THR 36 HB THR 36 -5.393 14.763 3.256 269 HG1 THR 36 HG1 THR 36 -7.789 14.497 2.814 270 HG21 THR 36 3HG2 THR 36 -6.700 15.879 0.777 271 HG22 THR 36 1HG2 THR 36 -5.288 16.552 1.593 272 HG23 THR 36 2HG2 THR 36 -6.852 16.532 2.408 273 H SER 37 H SER 37 -3.979 13.862 3.719 274 HA SER 37 HA SER 37 -2.245 11.728 3.767 275 HB2 SER 37 1HB SER 37 -3.935 12.630 6.106 276 HB3 SER 37 2HB SER 37 -2.333 11.895 6.162 277 HG SER 37 HG SER 37 -1.704 13.835 4.845 278 H PHE 38 H PHE 38 -2.400 9.580 4.040 279 HA PHE 38 HA PHE 38 -4.856 8.373 5.006 280 HB2 PHE 38 1HB PHE 38 -5.171 6.921 3.103 281 HB3 PHE 38 2HB PHE 38 -5.144 8.580 2.520 282 HD1 PHE 38 HD2 PHE 38 -2.884 9.441 1.581 283 HD2 PHE 38 HD1 PHE 38 -3.814 5.332 2.162 284 HE1 PHE 38 HE2 PHE 38 -1.104 8.814 0.002 285 HE2 PHE 38 HE1 PHE 38 -2.040 4.705 0.587 286 HZ PHE 38 HZ PHE 38 -0.678 6.433 -0.484 287 H ASN 39 H ASN 39 -4.514 6.252 5.813 288 HA ASN 39 HA ASN 39 -1.673 5.737 6.367 289 HB2 ASN 39 1HB ASN 39 -3.369 6.103 8.236 290 HB3 ASN 39 2HB ASN 39 -4.050 4.543 7.795 291 HD21 ASN 39 2HD2 ASN 39 -2.872 5.342 10.289 292 HD22 ASN 39 1HD2 ASN 39 -1.535 4.276 10.565 293 H VAL 40 H VAL 40 -0.681 3.976 5.519 294 HA VAL 40 HA VAL 40 -2.424 1.942 4.295 295 HB VAL 40 HB VAL 40 0.132 3.160 3.311 296 HG11 VAL 40 1HG1 VAL 40 -0.754 0.332 2.722 297 HG12 VAL 40 2HG1 VAL 40 0.779 0.842 3.429 298 HG13 VAL 40 3HG1 VAL 40 0.411 1.234 1.753 299 HG21 VAL 40 3HG2 VAL 40 -1.046 3.022 1.184 300 HG22 VAL 40 1HG2 VAL 40 -2.013 3.849 2.404 301 HG23 VAL 40 2HG2 VAL 40 -2.379 2.179 1.973 302 H SER 41 H SER 41 -2.300 -0.048 5.010 303 HA SER 41 HA SER 41 -0.097 -0.718 6.847 304 HB2 SER 41 1HB SER 41 -2.971 -1.653 7.022 305 HB3 SER 41 2HB SER 41 -1.681 -2.002 8.174 306 HG SER 41 HG SER 41 -2.168 0.676 7.614 307 H LEU 42 H LEU 42 0.775 -2.754 6.721 308 HA LEU 42 HA LEU 42 0.052 -4.290 4.331 309 HB2 LEU 42 1HB LEU 42 2.401 -3.592 4.555 310 HB3 LEU 42 2HB LEU 42 2.509 -4.444 6.084 311 HG LEU 42 HG LEU 42 2.103 -6.579 4.903 312 HD11 LEU 42 1HD1 LEU 42 2.232 -6.647 2.463 313 HD12 LEU 42 2HD1 LEU 42 2.263 -4.884 2.415 314 HD13 LEU 42 3HD1 LEU 42 0.832 -5.725 3.011 315 HD21 LEU 42 3HD2 LEU 42 4.400 -4.950 3.830 316 HD22 LEU 42 1HD2 LEU 42 4.286 -6.709 3.815 317 HD23 LEU 42 2HD2 LEU 42 4.378 -5.845 5.350 318 H LEU 43 H LEU 43 -1.324 -5.888 4.667 319 HA LEU 43 HA LEU 43 -1.373 -7.177 7.300 320 HB2 LEU 43 1HB LEU 43 -3.403 -7.295 5.069 321 HB3 LEU 43 2HB LEU 43 -3.572 -8.047 6.642 322 HG LEU 43 HG LEU 43 -3.239 -5.530 7.453 323 HD11 LEU 43 1HD1 LEU 43 -4.506 -5.243 4.743 324 HD12 LEU 43 2HD1 LEU 43 -2.931 -4.618 5.230 325 HD13 LEU 43 3HD1 LEU 43 -4.399 -3.986 5.974 326 HD21 LEU 43 3HD2 LEU 43 -5.663 -5.373 7.609 327 HD22 LEU 43 1HD2 LEU 43 -5.115 -7.006 7.988 328 HD23 LEU 43 2HD2 LEU 43 -5.834 -6.659 6.414 329 H VAL 44 H VAL 44 -0.414 -9.059 7.515 330 HA VAL 44 HA VAL 44 -0.059 -10.792 5.174 331 HB VAL 44 HB VAL 44 1.074 -11.040 7.976 332 HG11 VAL 44 1HG1 VAL 44 0.745 -13.229 6.948 333 HG12 VAL 44 2HG1 VAL 44 2.461 -12.837 7.055 334 HG13 VAL 44 3HG1 VAL 44 1.619 -12.696 5.511 335 HG21 VAL 44 3HG2 VAL 44 2.048 -9.189 6.721 336 HG22 VAL 44 1HG2 VAL 44 2.392 -10.273 5.373 337 HG23 VAL 44 2HG2 VAL 44 3.216 -10.496 6.916 338 H ASP 45 H ASP 45 -1.592 -12.237 4.811 339 HA ASP 45 HA ASP 45 -3.312 -13.699 5.069 340 HB2 ASP 45 1HB ASP 45 -1.972 -14.962 6.632 341 HB3 ASP 45 2HB ASP 45 -2.337 -13.828 7.929 342 H GLY 46 H GLY 46 -3.450 -12.176 8.253 343 HA2 GLY 46 1HA GLY 46 -5.624 -10.444 7.462 344 HA3 GLY 46 2HA GLY 46 -6.098 -11.754 8.535 345 H ILE 47 H ILE 47 -2.903 -10.611 8.917 346 HA ILE 47 HA ILE 47 -3.720 -8.973 11.229 347 HB ILE 47 HB ILE 47 -1.150 -10.529 11.158 348 HG12 ILE 47 1HG1 ILE 47 -3.748 -11.467 12.398 349 HG13 ILE 47 2HG1 ILE 47 -3.044 -12.129 10.927 350 HG21 ILE 47 1HG2 ILE 47 -1.262 -10.260 13.593 351 HG22 ILE 47 2HG2 ILE 47 -2.777 -9.375 13.414 352 HG23 ILE 47 3HG2 ILE 47 -1.282 -8.710 12.752 353 HD11 ILE 47 3HD1 ILE 47 -1.097 -12.873 12.196 354 HD12 ILE 47 1HD1 ILE 47 -2.594 -13.552 12.837 355 HD13 ILE 47 2HD1 ILE 47 -1.806 -12.211 13.669 356 H VAL 48 H VAL 48 -2.336 -7.201 11.686 357 HA VAL 48 HA VAL 48 -1.032 -6.194 9.269 358 HB VAL 48 HB VAL 48 -1.663 -4.707 11.825 359 HG11 VAL 48 1HG1 VAL 48 -1.363 -2.704 10.451 360 HG12 VAL 48 2HG1 VAL 48 -0.925 -3.716 9.074 361 HG13 VAL 48 3HG1 VAL 48 0.106 -3.679 10.506 362 HG21 VAL 48 3HG2 VAL 48 -3.573 -3.766 10.605 363 HG22 VAL 48 1HG2 VAL 48 -3.716 -5.512 10.801 364 HG23 VAL 48 2HG2 VAL 48 -3.225 -4.837 9.247 365 H VAL 49 H VAL 49 1.114 -6.251 9.070 366 HA VAL 49 HA VAL 49 2.707 -6.792 11.465 367 HB VAL 49 HB VAL 49 4.560 -7.311 9.896 368 HG11 VAL 49 1HG1 VAL 49 3.130 -9.081 10.746 369 HG12 VAL 49 2HG1 VAL 49 3.612 -9.423 9.084 370 HG13 VAL 49 3HG1 VAL 49 1.991 -8.818 9.425 371 HG21 VAL 49 3HG2 VAL 49 3.898 -5.908 8.020 372 HG22 VAL 49 1HG2 VAL 49 2.459 -6.896 7.767 373 HG23 VAL 49 2HG2 VAL 49 4.060 -7.588 7.508 374 H ASP 50 H ASP 50 2.184 -4.340 9.048 375 HA ASP 50 HA ASP 50 3.821 -2.515 10.595 376 HB2 ASP 50 1HB ASP 50 5.295 -3.598 8.794 377 HB3 ASP 50 2HB ASP 50 4.332 -2.694 7.629 378 H THR 51 H THR 51 3.405 -0.313 10.130 379 HA THR 51 HA THR 51 1.020 0.291 8.532 380 HB THR 51 HB THR 51 1.215 1.012 11.471 381 HG1 THR 51 HG1 THR 51 0.074 -1.198 10.161 382 HG21 THR 51 3HG2 THR 51 -1.138 1.628 11.222 383 HG22 THR 51 1HG2 THR 51 -1.077 1.193 9.514 384 HG23 THR 51 2HG2 THR 51 -0.124 2.550 10.113 385 H GLN 52 H GLN 52 1.446 2.115 7.423 386 HA GLN 52 HA GLN 52 3.099 4.168 8.719 387 HB2 GLN 52 1HB GLN 52 4.344 2.642 7.006 388 HB3 GLN 52 2HB GLN 52 3.462 3.571 5.800 389 HG2 GLN 52 1HG GLN 52 4.442 5.567 7.311 390 HG3 GLN 52 2HG GLN 52 5.696 4.350 7.541 391 HE21 GLN 52 2HE2 GLN 52 5.272 3.187 4.904 392 HE22 GLN 52 1HE2 GLN 52 5.977 4.295 3.783 393 H THR 53 H THR 53 2.130 6.089 8.651 394 HA THR 53 HA THR 53 -0.169 6.477 6.925 395 HB THR 53 HB THR 53 1.064 8.442 8.865 396 HG1 THR 53 HG1 THR 53 -0.361 6.142 9.286 397 HG21 THR 53 3HG2 THR 53 -1.714 8.246 7.688 398 HG22 THR 53 1HG2 THR 53 -0.487 9.430 7.240 399 HG23 THR 53 2HG2 THR 53 -1.174 9.444 8.864 400 H VAL 54 H VAL 54 -0.064 7.396 4.988 401 HA VAL 54 HA VAL 54 2.437 8.582 4.102 402 HB VAL 54 HB VAL 54 -0.103 8.209 2.506 403 HG11 VAL 54 1HG1 VAL 54 1.509 9.744 1.521 404 HG12 VAL 54 2HG1 VAL 54 1.405 8.255 0.580 405 HG13 VAL 54 3HG1 VAL 54 2.774 8.522 1.660 406 HG21 VAL 54 3HG2 VAL 54 2.212 6.295 2.804 407 HG22 VAL 54 1HG2 VAL 54 0.859 6.110 1.687 408 HG23 VAL 54 2HG2 VAL 54 0.580 6.056 3.428 409 H THR 55 H THR 55 2.733 10.706 3.637 410 HA THR 55 HA THR 55 1.330 12.625 5.047 411 HB THR 55 HB THR 55 2.962 13.165 2.566 412 HG1 THR 55 HG1 THR 55 4.709 13.302 4.196 413 HG21 THR 55 3HG2 THR 55 1.794 15.110 3.485 414 HG22 THR 55 1HG2 THR 55 3.533 15.246 3.740 415 HG23 THR 55 2HG2 THR 55 2.480 14.779 5.076 416 H SER 56 H SER 56 1.213 11.991 1.540 417 HA SER 56 HA SER 56 -1.545 12.474 1.284 418 HB2 SER 56 1HB SER 56 -0.695 14.838 1.789 419 HB3 SER 56 2HB SER 56 0.115 14.774 0.225 420 HG SER 56 HG SER 56 -1.974 14.391 -0.713 421 H LEU 57 H LEU 57 -2.146 11.499 -0.589 422 HA LEU 57 HA LEU 57 -0.031 10.922 -2.523 423 HB2 LEU 57 1HB LEU 57 -1.370 9.029 -1.713 424 HB3 LEU 57 2HB LEU 57 -2.824 9.794 -2.328 425 HG LEU 57 HG LEU 57 -2.115 9.497 -4.601 426 HD11 LEU 57 1HD1 LEU 57 0.019 8.456 -5.179 427 HD12 LEU 57 2HD1 LEU 57 0.476 8.451 -3.475 428 HD13 LEU 57 3HD1 LEU 57 0.252 9.981 -4.323 429 HD21 LEU 57 3HD2 LEU 57 -3.154 7.557 -3.666 430 HD22 LEU 57 1HD2 LEU 57 -1.637 7.029 -2.945 431 HD23 LEU 57 2HD2 LEU 57 -1.830 7.032 -4.697 432 H GLU 58 H GLU 58 0.217 12.296 -4.092 433 HA GLU 58 HA GLU 58 -1.753 14.212 -4.815 434 HB2 GLU 58 1HB GLU 58 0.778 13.480 -6.291 435 HB3 GLU 58 2HB GLU 58 -0.131 14.980 -6.434 436 HG2 GLU 58 1HG GLU 58 0.408 15.558 -4.146 437 HG3 GLU 58 2HG GLU 58 1.254 14.025 -3.938 438 H SER 59 H SER 59 -2.953 14.376 -6.666 439 HA SER 59 HA SER 59 -3.983 11.997 -7.749 440 HB2 SER 59 1HB SER 59 -5.037 13.614 -9.448 441 HB3 SER 59 2HB SER 59 -5.429 13.862 -7.747 442 HG SER 59 HG SER 59 -3.812 15.505 -7.696 443 H GLU 60 H GLU 60 -3.465 10.802 -9.439 444 HA GLU 60 HA GLU 60 -2.541 10.054 -11.362 445 HB2 GLU 60 1HB GLU 60 -3.091 12.508 -12.079 446 HB3 GLU 60 2HB GLU 60 -1.352 12.736 -11.973 447 HG2 GLU 60 1HG GLU 60 -2.010 12.234 -14.241 448 HG3 GLU 60 2HG GLU 60 -1.018 10.931 -13.583 449 H ASN 61 H ASN 61 -0.924 11.093 -8.741 450 HA ASN 61 HA ASN 61 1.706 10.334 -9.820 451 HB2 ASN 61 1HB ASN 61 1.613 12.564 -8.735 452 HB3 ASN 61 2HB ASN 61 1.085 11.801 -7.241 453 HD21 ASN 61 2HD2 ASN 61 2.918 12.684 -6.190 454 HD22 ASN 61 1HD2 ASN 61 4.481 11.964 -6.381 455 H SER 62 H SER 62 2.970 8.824 -8.673 456 HA SER 62 HA SER 62 1.364 6.987 -7.036 457 HB2 SER 62 1HB SER 62 3.212 5.323 -7.873 458 HB3 SER 62 2HB SER 62 1.880 5.763 -8.943 459 HG SER 62 HG SER 62 3.219 7.197 -10.006 460 H THR 63 H THR 63 1.938 6.751 -5.004 461 HA THR 63 HA THR 63 4.588 7.704 -4.162 462 HB THR 63 HB THR 63 1.990 7.396 -2.653 463 HG1 THR 63 HG1 THR 63 2.929 9.347 -4.052 464 HG21 THR 63 3HG2 THR 63 4.694 8.169 -1.549 465 HG22 THR 63 1HG2 THR 63 3.801 6.695 -1.175 466 HG23 THR 63 2HG2 THR 63 3.163 8.262 -0.678 467 H ASN 64 H ASN 64 6.002 6.383 -3.175 468 HA ASN 64 HA ASN 64 5.325 3.549 -3.052 469 HB2 ASN 64 1HB ASN 64 7.959 5.025 -2.988 470 HB3 ASN 64 2HB ASN 64 7.830 3.297 -2.673 471 HD21 ASN 64 2HD2 ASN 64 9.210 4.690 -4.835 472 HD22 ASN 64 1HD2 ASN 64 8.529 4.074 -6.305 473 H VAL 65 H VAL 65 5.005 2.507 -1.228 474 HA VAL 65 HA VAL 65 5.326 3.956 1.294 475 HB VAL 65 HB VAL 65 3.928 1.321 0.787 476 HG11 VAL 65 1HG1 VAL 65 3.808 3.211 3.133 477 HG12 VAL 65 2HG1 VAL 65 4.591 1.630 3.104 478 HG13 VAL 65 3HG1 VAL 65 2.840 1.749 2.938 479 HG21 VAL 65 3HG2 VAL 65 2.775 4.103 0.941 480 HG22 VAL 65 1HG2 VAL 65 1.838 2.610 0.875 481 HG23 VAL 65 2HG2 VAL 65 2.851 3.075 -0.491 482 H ASP 66 H ASP 66 7.131 3.644 2.377 483 HA ASP 66 HA ASP 66 8.790 1.317 1.970 484 HB2 ASP 66 1HB ASP 66 9.781 3.565 2.195 485 HB3 ASP 66 2HB ASP 66 9.130 3.689 3.825 486 H PHE 67 H PHE 67 7.937 -0.484 2.880 487 HA PHE 67 HA PHE 67 7.023 -0.351 5.668 488 HB2 PHE 67 1HB PHE 67 6.570 -2.276 3.420 489 HB3 PHE 67 2HB PHE 67 6.442 -2.858 5.074 490 HD1 PHE 67 HD1 PHE 67 5.157 -0.732 6.494 491 HD2 PHE 67 HD2 PHE 67 4.462 -2.119 2.534 492 HE1 PHE 67 HE1 PHE 67 2.835 0.053 6.635 493 HE2 PHE 67 HE2 PHE 67 2.134 -1.332 2.667 494 HZ PHE 67 HZ PHE 67 1.320 -0.251 4.726 495 H HIS 68 H HIS 68 7.835 -1.724 7.249 496 HA HIS 68 HA HIS 68 10.407 -3.032 6.602 497 HB2 HIS 68 1HB HIS 68 9.627 -1.608 9.163 498 HB3 HIS 68 2HB HIS 68 11.113 -2.525 8.937 499 HD1 HIS 68 HD1 HIS 68 13.069 -1.149 8.295 500 HD2 HIS 68 HD2 HIS 68 9.477 0.620 7.167 501 HE1 HIS 68 HE1 HIS 68 13.689 1.057 7.255 502 HE2 HIS 68 HE2 HIS 68 11.519 1.953 6.324 503 H TRP 69 H TRP 69 10.084 -5.159 6.627 504 HA TRP 69 HA TRP 69 8.087 -6.209 8.511 505 HB2 TRP 69 1HB TRP 69 7.217 -6.403 6.282 506 HB3 TRP 69 2HB TRP 69 8.729 -7.074 5.685 507 HD1 TRP 69 HD1 TRP 69 7.269 -8.456 8.917 508 HE1 TRP 69 HE1 TRP 69 6.486 -10.879 8.513 509 HE3 TRP 69 HE3 TRP 69 7.759 -8.630 3.833 510 HZ2 TRP 69 HZ2 TRP 69 6.128 -12.628 6.322 511 HZ3 TRP 69 HZ3 TRP 69 7.164 -10.706 2.659 512 HH2 TRP 69 HH2 TRP 69 6.359 -12.660 3.876 513 H THR 70 H THR 70 8.982 -7.314 10.084 514 HA THR 70 HA THR 70 11.386 -8.907 9.635 515 HB THR 70 HB THR 70 9.666 -8.949 12.116 516 HG1 THR 70 HG1 THR 70 10.800 -6.789 11.129 517 HG21 THR 70 3HG2 THR 70 12.627 -9.349 11.666 518 HG22 THR 70 1HG2 THR 70 11.441 -10.625 11.947 519 HG23 THR 70 2HG2 THR 70 11.797 -9.455 13.218 520 H LEU 71 H LEU 71 11.167 -10.873 8.743 521 HA LEU 71 HA LEU 71 8.855 -11.856 7.713 522 HB2 LEU 71 1HB LEU 71 11.452 -12.621 7.627 523 HB3 LEU 71 2HB LEU 71 10.754 -13.955 8.525 524 HG LEU 71 HG LEU 71 10.825 -14.513 6.184 525 HD11 LEU 71 1HD1 LEU 71 8.484 -15.007 5.734 526 HD12 LEU 71 2HD1 LEU 71 8.010 -13.902 7.026 527 HD13 LEU 71 3HD1 LEU 71 8.921 -15.364 7.405 528 HD21 LEU 71 3HD2 LEU 71 9.190 -12.037 5.719 529 HD22 LEU 71 1HD2 LEU 71 9.621 -13.236 4.500 530 HD23 LEU 71 2HD2 LEU 71 10.879 -12.266 5.267 531 H ASP 72 H ASP 72 10.243 -12.731 10.830 532 HA ASP 72 HA ASP 72 9.231 -13.351 12.777 533 HB2 ASP 72 1HB ASP 72 7.267 -12.002 12.023 534 HB3 ASP 72 2HB ASP 72 6.626 -13.444 11.242 535 H GLY 73 H GLY 73 7.748 -15.064 10.031 536 HA2 GLY 73 1HA GLY 73 8.506 -17.589 11.369 537 HA3 GLY 73 2HA GLY 73 7.086 -17.421 10.344 538 H THR 74 H THR 74 7.899 -19.179 9.078 539 HA THR 74 HA THR 74 9.551 -18.205 6.918 540 HB THR 74 HB THR 74 10.380 -20.735 8.360 541 HG1 THR 74 HG1 THR 74 10.999 -18.153 8.837 542 HG21 THR 74 3HG2 THR 74 10.790 -20.793 5.945 543 HG22 THR 74 1HG2 THR 74 12.306 -20.673 6.838 544 HG23 THR 74 2HG2 THR 74 11.633 -19.248 6.046 545 H ALA 75 H ALA 75 7.729 -18.414 5.665 546 HA ALA 75 HA ALA 75 6.993 -21.184 5.007 547 HB1 ALA 75 3HB ALA 75 4.728 -20.403 4.483 548 HB2 ALA 75 1HB ALA 75 5.164 -18.781 5.018 549 HB3 ALA 75 2HB ALA 75 5.134 -20.114 6.173 550 H ASN 76 H ASN 76 6.579 -21.571 2.783 551 HA ASN 76 HA ASN 76 8.486 -20.282 1.150 552 HB2 ASN 76 1HB ASN 76 6.324 -22.288 0.551 553 HB3 ASN 76 2HB ASN 76 7.385 -21.659 -0.705 554 HD21 ASN 76 2HD2 ASN 76 9.549 -22.208 -0.705 555 HD22 ASN 76 1HD2 ASN 76 10.162 -23.530 0.234 556 H SER 77 H SER 77 5.086 -19.712 1.608 557 HA SER 77 HA SER 77 5.288 -17.436 -0.205 558 HB2 SER 77 1HB SER 77 3.094 -19.508 -0.454 559 HB3 SER 77 2HB SER 77 3.211 -18.008 -1.378 560 HG SER 77 HG SER 77 5.525 -19.270 -1.621 561 H TYR 78 H TYR 78 4.639 -15.734 0.878 562 HA TYR 78 HA TYR 78 2.569 -16.047 2.943 563 HB2 TYR 78 1HB TYR 78 4.858 -14.154 2.612 564 HB3 TYR 78 2HB TYR 78 3.438 -13.625 3.509 565 HD1 TYR 78 HD1 TYR 78 2.838 -14.669 5.616 566 HD2 TYR 78 HD2 TYR 78 6.325 -15.869 3.499 567 HE1 TYR 78 HE1 TYR 78 3.651 -15.818 7.626 568 HE2 TYR 78 HE2 TYR 78 7.149 -17.025 5.507 569 HH TYR 78 HH TYR 78 5.169 -17.641 8.205 570 H THR 79 H THR 79 0.749 -14.843 2.934 571 HA THR 79 HA THR 79 0.088 -13.521 0.419 572 HB THR 79 HB THR 79 -1.736 -14.104 2.762 573 HG1 THR 79 HG1 THR 79 -1.664 -16.115 2.124 574 HG21 THR 79 3HG2 THR 79 -2.575 -12.417 1.192 575 HG22 THR 79 1HG2 THR 79 -3.518 -13.904 1.091 576 HG23 THR 79 2HG2 THR 79 -2.319 -13.533 -0.149 577 H LEU 80 H LEU 80 0.896 -11.490 0.439 578 HA LEU 80 HA LEU 80 0.497 -9.858 2.834 579 HB2 LEU 80 1HB LEU 80 2.474 -9.843 0.642 580 HB3 LEU 80 2HB LEU 80 1.988 -8.275 1.258 581 HG LEU 80 HG LEU 80 2.667 -8.943 3.521 582 HD11 LEU 80 1HD1 LEU 80 3.931 -11.005 3.871 583 HD12 LEU 80 2HD1 LEU 80 3.599 -11.490 2.208 584 HD13 LEU 80 3HD1 LEU 80 2.275 -11.335 3.364 585 HD21 LEU 80 3HD2 LEU 80 5.076 -8.964 3.130 586 HD22 LEU 80 1HD2 LEU 80 4.257 -7.803 2.085 587 HD23 LEU 80 2HD2 LEU 80 4.797 -9.351 1.432 588 H THR 81 H THR 81 -0.975 -8.346 2.897 589 HA THR 81 HA THR 81 -2.255 -7.547 0.368 590 HB THR 81 HB THR 81 -3.607 -7.890 3.054 591 HG1 THR 81 HG1 THR 81 -2.866 -9.847 1.810 592 HG21 THR 81 3HG2 THR 81 -5.679 -7.652 1.764 593 HG22 THR 81 1HG2 THR 81 -4.737 -7.375 0.300 594 HG23 THR 81 2HG2 THR 81 -4.669 -6.213 1.626 595 H VAL 82 H VAL 82 -1.824 -5.495 -0.038 596 HA VAL 82 HA VAL 82 -1.349 -3.586 2.106 597 HB VAL 82 HB VAL 82 -1.375 -3.195 -0.896 598 HG11 VAL 82 1HG1 VAL 82 -0.520 -1.306 1.298 599 HG12 VAL 82 2HG1 VAL 82 -1.938 -1.129 0.264 600 HG13 VAL 82 3HG1 VAL 82 -0.320 -1.028 -0.432 601 HG21 VAL 82 3HG2 VAL 82 0.913 -3.444 1.055 602 HG22 VAL 82 1HG2 VAL 82 1.075 -3.014 -0.648 603 HG23 VAL 82 2HG2 VAL 82 0.464 -4.606 -0.193 604 H ASN 83 H ASN 83 -3.130 -2.901 3.143 605 HA ASN 83 HA ASN 83 -5.491 -2.259 1.517 606 HB2 ASN 83 1HB ASN 83 -5.926 -3.713 3.445 607 HB3 ASN 83 2HB ASN 83 -5.232 -2.506 4.524 608 HD21 ASN 83 2HD2 ASN 83 -7.913 -3.245 2.401 609 HD22 ASN 83 1HD2 ASN 83 -9.003 -2.069 3.046 610 H VAL 84 H VAL 84 -5.861 -0.246 0.990 611 HA VAL 84 HA VAL 84 -4.155 1.816 2.095 612 HB VAL 84 HB VAL 84 -6.084 1.832 -0.229 613 HG11 VAL 84 1HG1 VAL 84 -5.142 4.023 -0.794 614 HG12 VAL 84 2HG1 VAL 84 -4.214 4.008 0.706 615 HG13 VAL 84 3HG1 VAL 84 -5.976 4.059 0.760 616 HG21 VAL 84 3HG2 VAL 84 -4.030 0.497 -0.511 617 HG22 VAL 84 1HG2 VAL 84 -3.068 1.926 -0.132 618 HG23 VAL 84 2HG2 VAL 84 -4.069 1.898 -1.585 619 H ASP 85 H ASP 85 -4.768 2.681 3.883 620 HA ASP 85 HA ASP 85 -5.884 3.824 5.451 621 HB2 ASP 85 1HB ASP 85 -6.313 5.345 3.490 622 HB3 ASP 85 2HB ASP 85 -7.885 4.570 3.323 623 HA PRO 86 HA PRO 86 -8.831 0.410 6.198 624 HB2 PRO 86 1HB PRO 86 -8.011 -0.066 8.735 625 HB3 PRO 86 2HB PRO 86 -7.190 -0.746 7.325 626 HG2 PRO 86 1HG PRO 86 -6.456 1.635 8.979 627 HG3 PRO 86 2HG PRO 86 -5.411 0.360 8.326 628 HD2 PRO 86 1HD PRO 86 -5.658 2.809 7.171 629 HD3 PRO 86 2HD PRO 86 -5.309 1.336 6.247 630 H GLU 87 H GLU 87 -8.363 3.522 7.352 631 HA GLU 87 HA GLU 87 -10.671 3.408 9.158 632 HB2 GLU 87 1HB GLU 87 -8.826 5.734 8.571 633 HB3 GLU 87 2HB GLU 87 -10.014 5.630 9.866 634 HG2 GLU 87 1HG GLU 87 -8.737 3.816 10.890 635 HG3 GLU 87 2HG GLU 87 -7.545 3.930 9.596 636 H ASN 88 H ASN 88 -9.739 4.093 6.019 637 HA ASN 88 HA ASN 88 -10.581 5.195 4.243 638 HB2 ASN 88 1HB ASN 88 -12.188 3.348 4.467 639 HB3 ASN 88 2HB ASN 88 -13.201 4.353 5.498 640 HD21 ASN 88 2HD2 ASN 88 -11.859 4.054 2.248 641 HD22 ASN 88 1HD2 ASN 88 -13.104 4.965 1.468 642 H ALA 89 H ALA 89 -9.712 7.139 5.245 643 HA ALA 89 HA ALA 89 -11.694 9.043 6.228 644 HB1 ALA 89 3HB ALA 89 -8.731 9.378 5.732 645 HB2 ALA 89 1HB ALA 89 -9.468 8.950 7.276 646 HB3 ALA 89 2HB ALA 89 -9.786 10.529 6.554 647 H VAL 90 H VAL 90 -9.792 8.279 3.418 648 HA VAL 90 HA VAL 90 -10.743 10.605 1.946 649 HB VAL 90 HB VAL 90 -9.129 8.265 0.908 650 HG11 VAL 90 1HG1 VAL 90 -10.179 9.602 -0.828 651 HG12 VAL 90 2HG1 VAL 90 -8.432 9.839 -0.834 652 HG13 VAL 90 3HG1 VAL 90 -9.487 11.069 -0.139 653 HG21 VAL 90 3HG2 VAL 90 -7.932 9.267 2.769 654 HG22 VAL 90 1HG2 VAL 90 -8.134 10.870 2.059 655 HG23 VAL 90 2HG2 VAL 90 -7.138 9.664 1.245 656 H ASN 91 H ASN 91 -12.441 10.562 0.530 657 HA ASN 91 HA ASN 91 -14.068 8.182 0.428 658 HB2 ASN 91 1HB ASN 91 -15.069 10.462 0.493 659 HB3 ASN 91 2HB ASN 91 -14.407 10.768 -1.110 660 HD21 ASN 91 2HD2 ASN 91 -16.468 11.092 -1.962 661 HD22 ASN 91 1HD2 ASN 91 -17.551 9.777 -2.256 662 H GLU 92 H GLU 92 -13.227 6.568 -0.710 663 HA GLU 92 HA GLU 92 -11.631 7.107 -3.072 664 HB2 GLU 92 1HB GLU 92 -12.209 4.479 -1.700 665 HB3 GLU 92 2HB GLU 92 -10.963 4.784 -2.901 666 HG2 GLU 92 1HG GLU 92 -9.733 6.155 -1.397 667 HG3 GLU 92 2HG GLU 92 -11.053 6.148 -0.225 668 H GLY 93 H GLY 93 -11.936 6.081 -5.052 669 HA2 GLY 93 1HA GLY 93 -14.476 5.773 -6.128 670 HA3 GLY 93 2HA GLY 93 -13.007 5.096 -6.811 671 H ASN 94 H ASN 94 -12.604 2.927 -6.618 672 HA ASN 94 HA ASN 94 -14.901 1.342 -5.802 673 HB2 ASN 94 1HB ASN 94 -12.269 0.471 -7.012 674 HB3 ASN 94 2HB ASN 94 -13.640 -0.585 -6.708 675 HD21 ASN 94 2HD2 ASN 94 -12.378 -0.166 -9.183 676 HD22 ASN 94 1HD2 ASN 94 -13.536 0.551 -10.257 677 H GLU 95 H GLU 95 -15.126 0.468 -3.866 678 HA GLU 95 HA GLU 95 -13.035 0.504 -1.915 679 HB2 GLU 95 1HB GLU 95 -15.443 0.734 -1.357 680 HB3 GLU 95 2HB GLU 95 -15.700 -0.930 -1.862 681 HG2 GLU 95 1HG GLU 95 -14.237 -1.709 -0.082 682 HG3 GLU 95 2HG GLU 95 -13.938 -0.043 0.411 683 H SER 96 H SER 96 -13.975 -1.617 -4.383 684 HA SER 96 HA SER 96 -12.662 -3.956 -3.279 685 HB2 SER 96 1HB SER 96 -13.183 -4.550 -5.890 686 HB3 SER 96 2HB SER 96 -14.352 -4.759 -4.582 687 HG SER 96 HG SER 96 -14.736 -3.337 -6.671 688 H ASN 97 H ASN 97 -11.436 -1.214 -4.274 689 HA ASN 97 HA ASN 97 -9.413 -2.395 -6.054 690 HB2 ASN 97 1HB ASN 97 -10.469 -0.890 -7.433 691 HB3 ASN 97 2HB ASN 97 -10.847 0.216 -6.119 692 HD21 ASN 97 2HD2 ASN 97 -9.453 1.811 -5.608 693 HD22 ASN 97 1HD2 ASN 97 -8.012 2.149 -6.490 694 H ASN 98 H ASN 98 -9.940 -0.485 -3.184 695 HA ASN 98 HA ASN 98 -7.313 0.662 -3.142 696 HB2 ASN 98 1HB ASN 98 -7.929 1.689 -1.104 697 HB3 ASN 98 2HB ASN 98 -9.392 1.662 -2.079 698 HD21 ASN 98 2HD2 ASN 98 -9.050 1.864 0.801 699 HD22 ASN 98 1HD2 ASN 98 -9.929 0.538 1.483 700 H THR 99 H THR 99 -7.933 -2.415 -2.938 701 HA THR 99 HA THR 99 -5.958 -2.881 -0.808 702 HB THR 99 HB THR 99 -7.906 -5.027 -1.452 703 HG1 THR 99 HG1 THR 99 -8.710 -2.591 -0.674 704 HG21 THR 99 3HG2 THR 99 -6.084 -5.413 0.125 705 HG22 THR 99 1HG2 THR 99 -7.648 -5.502 0.936 706 HG23 THR 99 2HG2 THR 99 -6.644 -4.063 1.111 707 H LEU 100 H LEU 100 -4.396 -4.388 -1.245 708 HA LEU 100 HA LEU 100 -4.426 -5.644 -3.907 709 HB2 LEU 100 1HB LEU 100 -2.921 -3.764 -4.062 710 HB3 LEU 100 2HB LEU 100 -2.119 -4.227 -2.572 711 HG LEU 100 HG LEU 100 -1.361 -6.327 -3.744 712 HD11 LEU 100 1HD1 LEU 100 -1.371 -6.322 -6.186 713 HD12 LEU 100 2HD1 LEU 100 -2.342 -4.850 -6.180 714 HD13 LEU 100 3HD1 LEU 100 -3.010 -6.349 -5.534 715 HD21 LEU 100 3HD2 LEU 100 -0.456 -3.686 -4.883 716 HD22 LEU 100 1HD2 LEU 100 0.444 -5.201 -4.951 717 HD23 LEU 100 2HD2 LEU 100 0.125 -4.434 -3.395 718 H THR 101 H THR 101 -4.768 -7.716 -3.359 719 HA THR 101 HA THR 101 -3.203 -8.929 -1.225 720 HB THR 101 HB THR 101 -5.269 -10.186 -3.050 721 HG1 THR 101 HG1 THR 101 -5.607 -9.457 -0.322 722 HG21 THR 101 3HG2 THR 101 -4.045 -11.169 -0.467 723 HG22 THR 101 1HG2 THR 101 -3.724 -11.818 -2.076 724 HG23 THR 101 2HG2 THR 101 -5.332 -11.971 -1.367 725 H ALA 102 H ALA 102 -1.166 -9.371 -1.781 726 HA ALA 102 HA ALA 102 -0.688 -10.605 -4.415 727 HB1 ALA 102 3HB ALA 102 1.498 -9.522 -4.455 728 HB2 ALA 102 1HB ALA 102 1.155 -8.749 -2.908 729 HB3 ALA 102 2HB ALA 102 0.207 -8.327 -4.334 730 H LEU 103 H LEU 103 1.004 -12.162 -4.503 731 HA LEU 103 HA LEU 103 1.458 -13.457 -1.908 732 HB2 LEU 103 1HB LEU 103 1.530 -14.565 -4.710 733 HB3 LEU 103 2HB LEU 103 2.032 -15.468 -3.294 734 HG LEU 103 HG LEU 103 -0.738 -14.386 -3.782 735 HD11 LEU 103 1HD1 LEU 103 0.334 -17.199 -3.882 736 HD12 LEU 103 2HD1 LEU 103 -0.192 -16.240 -5.264 737 HD13 LEU 103 3HD1 LEU 103 -1.361 -16.739 -4.040 738 HD21 LEU 103 3HD2 LEU 103 0.342 -16.122 -1.568 739 HD22 LEU 103 1HD2 LEU 103 -1.353 -15.696 -1.808 740 HD23 LEU 103 2HD2 LEU 103 -0.176 -14.444 -1.414 741 H VAL 104 H VAL 104 3.383 -13.406 -1.057 742 HA VAL 104 HA VAL 104 5.674 -12.864 -2.825 743 HB VAL 104 HB VAL 104 6.818 -11.742 -0.998 744 HG11 VAL 104 1HG1 VAL 104 5.441 -9.742 -0.814 745 HG12 VAL 104 2HG1 VAL 104 4.030 -10.652 -1.355 746 HG13 VAL 104 3HG1 VAL 104 5.390 -10.396 -2.453 747 HG21 VAL 104 3HG2 VAL 104 5.648 -11.191 1.100 748 HG22 VAL 104 1HG2 VAL 104 5.931 -12.925 0.913 749 HG23 VAL 104 2HG2 VAL 104 4.326 -12.256 0.615 750 H GLY 105 H GLY 105 7.364 -14.234 -2.749 751 HA2 GLY 105 1HA GLY 105 7.005 -16.560 -0.961 752 HA3 GLY 105 2HA GLY 105 7.699 -16.646 -2.575 753 H THR 106 H THR 106 9.023 -17.741 -0.428 754 HA THR 106 HA THR 106 10.966 -15.980 0.650 755 HB THR 106 HB THR 106 12.255 -18.132 1.075 756 HG1 THR 106 HG1 THR 106 10.877 -19.149 -0.751 757 HG21 THR 106 3HG2 THR 106 9.404 -17.922 2.054 758 HG22 THR 106 1HG2 THR 106 10.814 -17.134 2.764 759 HG23 THR 106 2HG2 THR 106 10.672 -18.892 2.806 760 H LEU 107 H LEU 107 12.922 -15.367 -0.087 761 HA LEU 107 HA LEU 107 13.365 -15.190 -2.818 762 HB2 LEU 107 1HB LEU 107 14.381 -13.648 -1.272 763 HB3 LEU 107 2HB LEU 107 15.307 -14.937 -0.527 764 HG LEU 107 HG LEU 107 16.575 -15.223 -2.628 765 HD11 LEU 107 1HD1 LEU 107 14.882 -14.436 -4.192 766 HD12 LEU 107 2HD1 LEU 107 16.396 -13.553 -4.391 767 HD13 LEU 107 3HD1 LEU 107 15.039 -12.800 -3.552 768 HD21 LEU 107 3HD2 LEU 107 17.455 -13.792 -0.871 769 HD22 LEU 107 1HD2 LEU 107 16.567 -12.417 -1.528 770 HD23 LEU 107 2HD2 LEU 107 17.869 -13.152 -2.463 771 H GLU 108 H GLU 108 13.623 -16.858 -4.133 772 HA GLU 108 HA GLU 108 15.049 -19.231 -3.485 773 HB2 GLU 108 1HB GLU 108 14.423 -18.106 -6.221 774 HB3 GLU 108 2HB GLU 108 14.891 -19.757 -5.861 775 HG2 GLU 108 1HG GLU 108 12.807 -20.055 -4.601 776 HG3 GLU 108 2HG GLU 108 12.334 -18.409 -5.029 777 H HIS 109 H HIS 109 17.185 -19.209 -3.109 778 HA HIS 109 HA HIS 109 18.918 -17.232 -4.253 779 HB2 HIS 109 1HB HIS 109 19.332 -18.247 -2.025 780 HB3 HIS 109 2HB HIS 109 19.627 -19.797 -2.802 781 HD1 HIS 109 HD1 HIS 109 21.239 -16.599 -1.918 782 HD2 HIS 109 HD2 HIS 109 22.075 -19.904 -4.308 783 HE1 HIS 109 HE1 HIS 109 23.691 -16.446 -2.459 784 HE2 HIS 109 HE2 HIS 109 24.213 -18.566 -3.725 785 H HIS 110 H HIS 110 19.019 -17.326 -6.427 786 HA HIS 110 HA HIS 110 19.284 -19.897 -7.770 787 HB2 HIS 110 1HB HIS 110 18.897 -17.071 -8.735 788 HB3 HIS 110 2HB HIS 110 19.336 -18.361 -9.846 789 HD1 HIS 110 HD1 HIS 110 17.018 -17.880 -11.040 790 HD2 HIS 110 HD2 HIS 110 16.758 -19.379 -7.167 791 HE1 HIS 110 HE1 HIS 110 14.641 -18.635 -10.766 792 HE2 HIS 110 HE2 HIS 110 14.457 -19.370 -8.361 793 H HIS 111 H HIS 111 21.059 -20.562 -8.915 794 HA HIS 111 HA HIS 111 23.610 -19.541 -8.155 795 HB2 HIS 111 1HB HIS 111 22.834 -21.490 -10.338 796 HB3 HIS 111 2HB HIS 111 24.489 -21.155 -9.843 797 HD1 HIS 111 HD1 HIS 111 21.414 -22.992 -8.830 798 HD2 HIS 111 HD2 HIS 111 25.231 -22.252 -7.348 799 HE1 HIS 111 HE1 HIS 111 21.735 -24.616 -6.938 800 HE2 HIS 111 HE2 HIS 111 24.106 -24.263 -6.162 801 H HIS 112 H HIS 112 21.722 -19.484 -11.140 802 HA HIS 112 HA HIS 112 23.350 -17.247 -12.133 803 HB2 HIS 112 1HB HIS 112 21.096 -18.757 -13.497 804 HB3 HIS 112 2HB HIS 112 22.116 -17.531 -14.240 805 HD1 HIS 112 HD1 HIS 112 24.378 -18.262 -15.137 806 HD2 HIS 112 HD2 HIS 112 22.368 -21.261 -13.062 807 HE1 HIS 112 HE1 HIS 112 25.664 -20.382 -15.579 808 HE2 HIS 112 HE2 HIS 112 24.320 -22.205 -14.472 809 H HIS 113 H HIS 113 22.518 -15.189 -12.130 810 HA HIS 113 HA HIS 113 20.190 -14.806 -10.490 811 HB2 HIS 113 1HB HIS 113 21.899 -12.765 -11.925 812 HB3 HIS 113 2HB HIS 113 20.650 -12.395 -10.738 813 HD1 HIS 113 HD1 HIS 113 23.813 -11.819 -10.514 814 HD2 HIS 113 HD2 HIS 113 21.656 -14.814 -8.598 815 HE1 HIS 113 HE1 HIS 113 25.186 -12.468 -8.511 816 HE2 HIS 113 HE2 HIS 113 23.954 -14.406 -7.479 817 H HIS 114 H HIS 114 18.857 -16.017 -11.993 818 HA HIS 114 HA HIS 114 17.351 -14.180 -13.672 819 HB2 HIS 114 1HB HIS 114 18.934 -16.428 -14.685 820 HB3 HIS 114 2HB HIS 114 17.237 -16.518 -15.149 821 HD1 HIS 114 HD1 HIS 114 20.393 -14.801 -15.927 822 HD2 HIS 114 HD2 HIS 114 16.338 -14.258 -16.686 823 HE1 HIS 114 HE1 HIS 114 20.268 -13.170 -17.843 824 HE2 HIS 114 HE2 HIS 114 17.810 -13.007 -18.404 Start of MODEL 3 1 H1 MET 1 1H MET 1 -14.807 16.435 -5.853 2 H2 MET 1 2H MET 1 -16.001 15.463 -6.567 3 H3 MET 1 3H MET 1 -15.411 16.817 -7.388 4 HA MET 1 HA MET 1 -14.481 14.805 -8.303 5 HB2 MET 1 1HB MET 1 -12.485 16.448 -6.729 6 HB3 MET 1 2HB MET 1 -12.093 15.407 -8.090 7 HG2 MET 1 1HG MET 1 -13.500 16.805 -9.538 8 HG3 MET 1 2HG MET 1 -13.827 17.864 -8.169 9 HE1 MET 1 3HE MET 1 -10.242 19.297 -7.419 10 HE2 MET 1 1HE MET 1 -10.943 17.835 -6.723 11 HE3 MET 1 2HE MET 1 -11.934 19.280 -6.923 12 H ILE 2 H ILE 2 -13.694 12.770 -7.995 13 HA ILE 2 HA ILE 2 -13.318 11.958 -5.191 14 HB ILE 2 HB ILE 2 -15.343 11.082 -6.553 15 HG12 ILE 2 1HG1 ILE 2 -15.131 8.819 -5.490 16 HG13 ILE 2 2HG1 ILE 2 -13.474 9.235 -5.063 17 HG21 ILE 2 1HG2 ILE 2 -14.910 9.049 -7.855 18 HG22 ILE 2 2HG2 ILE 2 -13.174 9.319 -7.684 19 HG23 ILE 2 3HG2 ILE 2 -14.165 10.474 -8.578 20 HD11 ILE 2 3HD1 ILE 2 -14.291 11.101 -3.720 21 HD12 ILE 2 1HD1 ILE 2 -14.975 9.564 -3.189 22 HD13 ILE 2 2HD1 ILE 2 -15.949 10.680 -4.146 23 HA PRO 3 HA PRO 3 -9.349 10.372 -6.611 24 HB2 PRO 3 1HB PRO 3 -8.743 9.296 -4.077 25 HB3 PRO 3 2HB PRO 3 -8.291 10.890 -4.679 26 HG2 PRO 3 1HG PRO 3 -10.071 10.341 -2.576 27 HG3 PRO 3 2HG PRO 3 -9.839 11.901 -3.379 28 HD2 PRO 3 1HD PRO 3 -11.966 9.859 -3.781 29 HD3 PRO 3 2HD PRO 3 -12.049 11.627 -3.933 30 H ASP 4 H ASP 4 -8.125 8.242 -6.393 31 HA ASP 4 HA ASP 4 -9.748 5.894 -5.852 32 HB2 ASP 4 1HB ASP 4 -10.221 6.601 -8.241 33 HB3 ASP 4 2HB ASP 4 -8.523 6.308 -8.590 34 H LEU 5 H LEU 5 -8.363 4.796 -4.548 35 HA LEU 5 HA LEU 5 -5.501 5.347 -4.902 36 HB2 LEU 5 1HB LEU 5 -7.049 4.378 -2.504 37 HB3 LEU 5 2HB LEU 5 -5.308 4.599 -2.540 38 HG LEU 5 HG LEU 5 -7.338 6.798 -2.957 39 HD11 LEU 5 1HD1 LEU 5 -7.364 5.994 -0.662 40 HD12 LEU 5 2HD1 LEU 5 -6.623 7.591 -0.759 41 HD13 LEU 5 3HD1 LEU 5 -5.611 6.159 -0.572 42 HD21 LEU 5 3HD2 LEU 5 -4.338 6.877 -2.676 43 HD22 LEU 5 1HD2 LEU 5 -5.400 8.282 -2.772 44 HD23 LEU 5 2HD2 LEU 5 -5.254 7.191 -4.150 45 H VAL 6 H VAL 6 -4.561 3.853 -6.115 46 HA VAL 6 HA VAL 6 -5.368 1.044 -5.742 47 HB VAL 6 HB VAL 6 -4.098 2.186 -8.223 48 HG11 VAL 6 1HG1 VAL 6 -5.647 -0.347 -7.720 49 HG12 VAL 6 2HG1 VAL 6 -3.905 -0.213 -7.965 50 HG13 VAL 6 3HG1 VAL 6 -5.013 0.178 -9.280 51 HG21 VAL 6 3HG2 VAL 6 -7.041 1.819 -7.684 52 HG22 VAL 6 1HG2 VAL 6 -6.321 2.279 -9.226 53 HG23 VAL 6 2HG2 VAL 6 -6.202 3.362 -7.838 54 HA PRO 7 HA PRO 7 -0.978 0.450 -4.812 55 HB2 PRO 7 1HB PRO 7 -1.717 -2.134 -3.792 56 HB3 PRO 7 2HB PRO 7 -1.168 -0.726 -2.883 57 HG2 PRO 7 1HG PRO 7 -3.714 -1.782 -2.748 58 HG3 PRO 7 2HG PRO 7 -3.285 -0.116 -2.320 59 HD2 PRO 7 1HD PRO 7 -4.531 -1.171 -4.824 60 HD3 PRO 7 2HD PRO 7 -4.840 0.351 -3.962 61 H VAL 8 H VAL 8 -0.079 0.053 -6.774 62 HA VAL 8 HA VAL 8 -1.290 -1.980 -8.474 63 HB VAL 8 HB VAL 8 0.065 -1.017 -10.292 64 HG11 VAL 8 1HG1 VAL 8 -1.522 0.991 -8.701 65 HG12 VAL 8 2HG1 VAL 8 -2.159 -0.152 -9.882 66 HG13 VAL 8 3HG1 VAL 8 -1.086 1.148 -10.402 67 HG21 VAL 8 3HG2 VAL 8 1.991 -0.286 -8.984 68 HG22 VAL 8 1HG2 VAL 8 1.000 0.942 -8.195 69 HG23 VAL 8 2HG2 VAL 8 1.324 1.048 -9.926 70 H SER 9 H SER 9 1.424 -1.727 -6.433 71 HA SER 9 HA SER 9 2.420 -4.253 -7.365 72 HB2 SER 9 1HB SER 9 3.470 -2.684 -8.965 73 HB3 SER 9 2HB SER 9 4.211 -1.828 -7.614 74 HG SER 9 HG SER 9 5.347 -3.689 -8.860 75 H LEU 10 H LEU 10 4.053 -5.140 -6.041 76 HA LEU 10 HA LEU 10 4.679 -3.793 -3.532 77 HB2 LEU 10 1HB LEU 10 2.683 -5.056 -3.002 78 HB3 LEU 10 2HB LEU 10 3.338 -6.490 -3.769 79 HG LEU 10 HG LEU 10 5.088 -6.590 -2.008 80 HD11 LEU 10 1HD1 LEU 10 3.494 -4.370 -0.740 81 HD12 LEU 10 2HD1 LEU 10 5.129 -4.233 -1.387 82 HD13 LEU 10 3HD1 LEU 10 4.819 -5.258 0.015 83 HD21 LEU 10 3HD2 LEU 10 2.246 -6.570 -1.009 84 HD22 LEU 10 1HD2 LEU 10 3.609 -7.390 -0.244 85 HD23 LEU 10 2HD2 LEU 10 3.046 -7.909 -1.834 86 H THR 11 H THR 11 6.828 -3.881 -3.413 87 HA THR 11 HA THR 11 8.182 -6.295 -4.427 88 HB THR 11 HB THR 11 10.077 -4.667 -5.066 89 HG1 THR 11 HG1 THR 11 7.936 -2.930 -4.521 90 HG21 THR 11 3HG2 THR 11 7.493 -4.641 -6.633 91 HG22 THR 11 1HG2 THR 11 8.740 -5.885 -6.716 92 HG23 THR 11 2HG2 THR 11 9.087 -4.250 -7.275 93 HA PRO 12 HA PRO 12 10.268 -6.983 -4.547 94 HB2 PRO 12 1HB PRO 12 11.522 -9.011 -3.304 95 HB3 PRO 12 2HB PRO 12 12.321 -7.460 -3.589 96 HG2 PRO 12 1HG PRO 12 11.039 -8.502 -1.091 97 HG3 PRO 12 2HG PRO 12 12.569 -7.626 -1.281 98 HD2 PRO 12 1HD PRO 12 10.237 -6.444 -0.487 99 HD3 PRO 12 2HD PRO 12 11.533 -5.585 -1.343 100 H VAL 13 H VAL 13 9.423 -8.936 -5.376 101 HA VAL 13 HA VAL 13 7.052 -9.900 -4.055 102 HB VAL 13 HB VAL 13 6.769 -11.361 -6.021 103 HG11 VAL 13 1HG1 VAL 13 6.457 -9.591 -7.685 104 HG12 VAL 13 2HG1 VAL 13 7.446 -8.503 -6.712 105 HG13 VAL 13 3HG1 VAL 13 5.903 -9.088 -6.089 106 HG21 VAL 13 3HG2 VAL 13 9.386 -10.169 -6.950 107 HG22 VAL 13 1HG2 VAL 13 8.318 -11.183 -7.922 108 HG23 VAL 13 2HG2 VAL 13 9.111 -11.852 -6.495 109 H THR 14 H THR 14 10.349 -10.836 -4.303 110 HA THR 14 HA THR 14 9.745 -13.311 -2.870 111 HB THR 14 HB THR 14 12.134 -13.890 -3.656 112 HG1 THR 14 HG1 THR 14 11.700 -12.494 -5.979 113 HG21 THR 14 3HG2 THR 14 10.143 -15.081 -4.398 114 HG22 THR 14 1HG2 THR 14 11.271 -14.862 -5.736 115 HG23 THR 14 2HG2 THR 14 9.843 -13.834 -5.609 116 H VAL 15 H VAL 15 10.514 -13.480 -0.844 117 HA VAL 15 HA VAL 15 12.193 -11.254 0.108 118 HB VAL 15 HB VAL 15 11.092 -11.573 2.314 119 HG11 VAL 15 1HG1 VAL 15 9.236 -10.988 0.008 120 HG12 VAL 15 2HG1 VAL 15 10.314 -9.838 0.800 121 HG13 VAL 15 3HG1 VAL 15 8.958 -10.532 1.689 122 HG21 VAL 15 3HG2 VAL 15 9.007 -12.868 2.427 123 HG22 VAL 15 1HG2 VAL 15 10.395 -13.897 2.069 124 HG23 VAL 15 2HG2 VAL 15 9.278 -13.441 0.781 125 H VAL 16 H VAL 16 13.968 -11.672 1.341 126 HA VAL 16 HA VAL 16 14.750 -14.435 1.684 127 HB VAL 16 HB VAL 16 16.876 -13.388 2.562 128 HG11 VAL 16 1HG1 VAL 16 16.003 -12.683 -0.233 129 HG12 VAL 16 2HG1 VAL 16 16.699 -14.219 0.287 130 HG13 VAL 16 3HG1 VAL 16 17.672 -12.748 0.330 131 HG21 VAL 16 3HG2 VAL 16 15.598 -10.862 1.528 132 HG22 VAL 16 1HG2 VAL 16 17.279 -11.031 2.036 133 HG23 VAL 16 2HG2 VAL 16 15.979 -11.217 3.213 134 HA PRO 17 HA PRO 17 13.372 -14.227 5.948 135 HB2 PRO 17 1HB PRO 17 14.187 -16.959 6.283 136 HB3 PRO 17 2HB PRO 17 12.552 -16.331 6.079 137 HG2 PRO 17 1HG PRO 17 13.875 -17.903 4.239 138 HG3 PRO 17 2HG PRO 17 12.515 -16.832 3.861 139 HD2 PRO 17 1HD PRO 17 15.443 -16.401 3.462 140 HD3 PRO 17 2HD PRO 17 14.076 -15.919 2.435 141 H ASN 18 H ASN 18 15.798 -13.045 5.548 142 HA ASN 18 HA ASN 18 17.625 -14.418 7.417 143 HB2 ASN 18 1HB ASN 18 18.302 -12.527 5.156 144 HB3 ASN 18 2HB ASN 18 19.465 -13.206 6.286 145 HD21 ASN 18 2HD2 ASN 18 18.169 -15.830 6.334 146 HD22 ASN 18 1HD2 ASN 18 18.567 -16.575 4.821 147 H THR 19 H THR 19 15.633 -11.719 7.026 148 HA THR 19 HA THR 19 16.670 -10.345 9.292 149 HB THR 19 HB THR 19 18.411 -9.778 7.605 150 HG1 THR 19 HG1 THR 19 18.041 -7.369 7.808 151 HG21 THR 19 3HG2 THR 19 17.010 -9.829 5.597 152 HG22 THR 19 1HG2 THR 19 17.862 -8.290 5.739 153 HG23 THR 19 2HG2 THR 19 16.152 -8.394 6.155 154 H VAL 20 H VAL 20 15.764 -7.818 8.895 155 HA VAL 20 HA VAL 20 12.894 -8.139 8.552 156 HB VAL 20 HB VAL 20 14.465 -5.652 9.268 157 HG11 VAL 20 1HG1 VAL 20 12.285 -5.135 8.333 158 HG12 VAL 20 2HG1 VAL 20 12.299 -4.805 10.066 159 HG13 VAL 20 3HG1 VAL 20 11.515 -6.262 9.453 160 HG21 VAL 20 3HG2 VAL 20 14.756 -7.397 10.943 161 HG22 VAL 20 1HG2 VAL 20 13.007 -7.594 11.051 162 HG23 VAL 20 2HG2 VAL 20 13.757 -6.084 11.568 163 H ASN 21 H ASN 21 12.024 -7.920 6.618 164 HA ASN 21 HA ASN 21 13.651 -6.833 4.473 165 HB2 ASN 21 1HB ASN 21 11.048 -8.367 4.470 166 HB3 ASN 21 2HB ASN 21 11.856 -7.800 3.012 167 HD21 ASN 21 2HD2 ASN 21 12.040 -9.950 2.314 168 HD22 ASN 21 1HD2 ASN 21 13.224 -11.016 2.989 169 H THR 22 H THR 22 13.233 -5.062 3.329 170 HA THR 22 HA THR 22 11.174 -3.266 4.294 171 HB THR 22 HB THR 22 13.258 -2.808 2.153 172 HG1 THR 22 HG1 THR 22 14.618 -2.409 3.735 173 HG21 THR 22 3HG2 THR 22 12.834 -0.433 2.597 174 HG22 THR 22 1HG2 THR 22 11.577 -0.874 3.752 175 HG23 THR 22 2HG2 THR 22 11.373 -1.250 2.041 176 H MET 23 H MET 23 9.206 -3.649 3.503 177 HA MET 23 HA MET 23 8.906 -4.587 0.757 178 HB2 MET 23 1HB MET 23 6.845 -4.276 2.952 179 HB3 MET 23 2HB MET 23 6.547 -4.977 1.367 180 HG2 MET 23 1HG MET 23 8.365 -6.067 3.504 181 HG3 MET 23 2HG MET 23 6.808 -6.721 3.003 182 HE1 MET 23 3HE MET 23 7.599 -7.950 -0.637 183 HE2 MET 23 1HE MET 23 6.987 -6.362 -0.175 184 HE3 MET 23 2HE MET 23 6.366 -7.811 0.616 185 H THR 24 H THR 24 8.511 -3.235 -0.822 186 HA THR 24 HA THR 24 7.570 -0.529 -0.147 187 HB THR 24 HB THR 24 9.052 -1.374 -2.641 188 HG1 THR 24 HG1 THR 24 10.121 -1.561 -0.394 189 HG21 THR 24 3HG2 THR 24 8.616 1.325 -1.352 190 HG22 THR 24 1HG2 THR 24 7.814 0.734 -2.808 191 HG23 THR 24 2HG2 THR 24 9.555 1.021 -2.814 192 H ALA 25 H ALA 25 5.503 -0.203 -0.616 193 HA ALA 25 HA ALA 25 4.283 -1.699 -2.835 194 HB1 ALA 25 3HB ALA 25 3.237 -2.038 -0.647 195 HB2 ALA 25 1HB ALA 25 2.138 -1.235 -1.768 196 HB3 ALA 25 2HB ALA 25 2.953 -0.303 -0.513 197 H THR 26 H THR 26 3.477 -0.640 -4.560 198 HA THR 26 HA THR 26 3.963 2.236 -4.685 199 HB THR 26 HB THR 26 3.198 0.364 -6.934 200 HG1 THR 26 HG1 THR 26 5.733 1.190 -5.919 201 HG21 THR 26 3HG2 THR 26 2.776 2.731 -7.405 202 HG22 THR 26 1HG2 THR 26 4.126 2.129 -8.367 203 HG23 THR 26 2HG2 THR 26 4.433 3.124 -6.945 204 H ILE 27 H ILE 27 2.332 3.479 -4.080 205 HA ILE 27 HA ILE 27 -0.430 2.620 -4.611 206 HB ILE 27 HB ILE 27 0.475 4.917 -2.871 207 HG12 ILE 27 1HG1 ILE 27 1.450 2.891 -1.960 208 HG13 ILE 27 2HG1 ILE 27 0.118 3.414 -0.937 209 HG21 ILE 27 1HG2 ILE 27 -1.837 5.035 -3.597 210 HG22 ILE 27 2HG2 ILE 27 -1.742 4.707 -1.867 211 HG23 ILE 27 3HG2 ILE 27 -2.127 3.403 -2.993 212 HD11 ILE 27 3HD1 ILE 27 -1.309 1.704 -1.888 213 HD12 ILE 27 1HD1 ILE 27 0.170 0.996 -1.237 214 HD13 ILE 27 2HD1 ILE 27 -0.013 1.209 -2.979 215 H GLU 28 H GLU 28 -1.319 3.449 -6.406 216 HA GLU 28 HA GLU 28 -0.487 6.157 -7.215 217 HB2 GLU 28 1HB GLU 28 0.139 4.345 -8.820 218 HB3 GLU 28 2HB GLU 28 -1.572 3.985 -9.016 219 HG2 GLU 28 1HG GLU 28 -1.968 6.203 -9.906 220 HG3 GLU 28 2HG GLU 28 -0.278 6.629 -9.643 221 H ASN 29 H ASN 29 -1.992 7.676 -7.270 222 HA ASN 29 HA ASN 29 -4.746 6.933 -6.646 223 HB2 ASN 29 1HB ASN 29 -3.790 8.646 -5.247 224 HB3 ASN 29 2HB ASN 29 -3.290 9.581 -6.649 225 HD21 ASN 29 2HD2 ASN 29 -4.365 11.368 -5.904 226 HD22 ASN 29 1HD2 ASN 29 -6.090 11.517 -5.975 227 H GLN 30 H GLN 30 -5.782 6.330 -8.444 228 HA GLN 30 HA GLN 30 -5.316 7.798 -10.937 229 HB2 GLN 30 1HB GLN 30 -6.840 5.223 -10.496 230 HB3 GLN 30 2HB GLN 30 -6.359 5.908 -12.043 231 HG2 GLN 30 1HG GLN 30 -3.994 5.633 -11.387 232 HG3 GLN 30 2HG GLN 30 -4.529 4.849 -9.902 233 HE21 GLN 30 2HE2 GLN 30 -2.874 3.813 -12.043 234 HE22 GLN 30 1HE2 GLN 30 -3.689 2.402 -12.645 235 H GLY 31 H GLY 31 -6.640 9.404 -9.348 236 HA2 GLY 31 1HA GLY 31 -9.319 9.457 -10.533 237 HA3 GLY 31 2HA GLY 31 -9.186 9.562 -8.781 238 H ASN 32 H ASN 32 -10.367 11.593 -10.250 239 HA ASN 32 HA ASN 32 -8.355 13.615 -10.806 240 HB2 ASN 32 1HB ASN 32 -10.447 13.187 -12.229 241 HB3 ASN 32 2HB ASN 32 -11.343 14.004 -10.952 242 HD21 ASN 32 2HD2 ASN 32 -11.109 16.223 -10.687 243 HD22 ASN 32 1HD2 ASN 32 -10.334 17.218 -11.871 244 H LYS 33 H LYS 33 -8.307 12.928 -8.174 245 HA LYS 33 HA LYS 33 -8.593 15.533 -7.008 246 HB2 LYS 33 1HB LYS 33 -10.855 14.541 -6.588 247 HB3 LYS 33 2HB LYS 33 -10.073 13.231 -5.710 248 HG2 LYS 33 1HG LYS 33 -9.034 15.148 -4.297 249 HG3 LYS 33 2HG LYS 33 -10.363 16.104 -4.957 250 HD2 LYS 33 1HD LYS 33 -11.965 14.479 -4.083 251 HD3 LYS 33 2HD LYS 33 -10.636 13.514 -3.436 252 HE2 LYS 33 1HE LYS 33 -11.480 16.283 -2.601 253 HE3 LYS 33 2HE LYS 33 -11.537 14.805 -1.642 254 HZ1 LYS 33 3HZ LYS 33 -9.189 16.421 -2.414 255 HZ2 LYS 33 1HZ LYS 33 -9.005 14.785 -2.000 256 HZ3 LYS 33 2HZ LYS 33 -9.650 15.875 -0.875 257 H ASP 34 H ASP 34 -7.166 15.764 -5.256 258 HA ASP 34 HA ASP 34 -5.171 13.718 -4.998 259 HB2 ASP 34 1HB ASP 34 -3.970 15.228 -3.641 260 HB3 ASP 34 2HB ASP 34 -4.791 16.255 -4.811 261 H SER 35 H SER 35 -4.714 12.467 -3.198 262 HA SER 35 HA SER 35 -6.835 12.302 -1.176 263 HB2 SER 35 1HB SER 35 -5.679 10.098 -0.623 264 HB3 SER 35 2HB SER 35 -6.474 10.174 -2.195 265 HG SER 35 HG SER 35 -3.708 10.623 -1.737 266 H THR 36 H THR 36 -6.402 12.915 0.874 267 HA THR 36 HA THR 36 -3.835 14.186 1.328 268 HB THR 36 HB THR 36 -5.945 14.063 3.442 269 HG1 THR 36 HG1 THR 36 -6.308 14.919 0.852 270 HG21 THR 36 3HG2 THR 36 -3.848 15.353 3.760 271 HG22 THR 36 1HG2 THR 36 -5.277 16.385 3.775 272 HG23 THR 36 2HG2 THR 36 -4.252 16.318 2.342 273 H SER 37 H SER 37 -4.138 13.667 4.320 274 HA SER 37 HA SER 37 -2.211 11.615 4.404 275 HB2 SER 37 1HB SER 37 -3.833 12.855 6.637 276 HB3 SER 37 2HB SER 37 -2.412 11.836 6.860 277 HG SER 37 HG SER 37 -1.840 13.795 5.115 278 H PHE 38 H PHE 38 -2.679 9.583 3.912 279 HA PHE 38 HA PHE 38 -4.981 8.351 5.276 280 HB2 PHE 38 1HB PHE 38 -5.262 6.833 3.381 281 HB3 PHE 38 2HB PHE 38 -5.405 8.504 2.855 282 HD1 PHE 38 HD1 PHE 38 -3.345 5.485 2.763 283 HD2 PHE 38 HD2 PHE 38 -3.786 9.476 1.351 284 HE1 PHE 38 HE1 PHE 38 -1.650 5.063 1.040 285 HE2 PHE 38 HE2 PHE 38 -2.085 9.050 -0.378 286 HZ PHE 38 HZ PHE 38 -1.014 6.831 -0.523 287 H ASN 39 H ASN 39 -4.713 6.085 5.826 288 HA ASN 39 HA ASN 39 -1.898 5.590 6.547 289 HB2 ASN 39 1HB ASN 39 -4.428 4.507 7.806 290 HB3 ASN 39 2HB ASN 39 -2.788 4.196 8.366 291 HD21 ASN 39 2HD2 ASN 39 -5.344 6.530 8.116 292 HD22 ASN 39 1HD2 ASN 39 -4.675 7.681 9.223 293 H VAL 40 H VAL 40 -0.923 4.167 5.231 294 HA VAL 40 HA VAL 40 -2.557 2.020 4.076 295 HB VAL 40 HB VAL 40 -0.138 3.466 3.162 296 HG11 VAL 40 1HG1 VAL 40 -0.462 0.507 2.644 297 HG12 VAL 40 2HG1 VAL 40 0.880 1.290 3.483 298 HG13 VAL 40 3HG1 VAL 40 0.626 1.579 1.761 299 HG21 VAL 40 3HG2 VAL 40 -2.380 3.635 2.148 300 HG22 VAL 40 1HG2 VAL 40 -2.267 1.938 1.687 301 HG23 VAL 40 2HG2 VAL 40 -1.138 3.109 1.009 302 H SER 41 H SER 41 -2.491 0.079 4.867 303 HA SER 41 HA SER 41 -0.345 -0.601 6.767 304 HB2 SER 41 1HB SER 41 -3.176 -1.670 6.743 305 HB3 SER 41 2HB SER 41 -1.968 -1.870 8.012 306 HG SER 41 HG SER 41 -2.186 0.705 7.662 307 H LEU 42 H LEU 42 0.731 -2.480 6.488 308 HA LEU 42 HA LEU 42 -0.002 -4.131 4.190 309 HB2 LEU 42 1HB LEU 42 2.333 -3.373 4.363 310 HB3 LEU 42 2HB LEU 42 2.480 -4.190 5.909 311 HG LEU 42 HG LEU 42 2.029 -6.352 4.754 312 HD11 LEU 42 1HD1 LEU 42 2.285 -4.683 2.257 313 HD12 LEU 42 2HD1 LEU 42 0.823 -5.491 2.824 314 HD13 LEU 42 3HD1 LEU 42 2.218 -6.444 2.321 315 HD21 LEU 42 3HD2 LEU 42 4.234 -6.539 3.732 316 HD22 LEU 42 1HD2 LEU 42 4.304 -5.652 5.255 317 HD23 LEU 42 2HD2 LEU 42 4.383 -4.780 3.724 318 H LEU 43 H LEU 43 -1.362 -5.714 4.604 319 HA LEU 43 HA LEU 43 -1.343 -6.998 7.228 320 HB2 LEU 43 1HB LEU 43 -3.231 -7.354 4.899 321 HB3 LEU 43 2HB LEU 43 -3.396 -8.123 6.464 322 HG LEU 43 HG LEU 43 -3.368 -5.570 7.264 323 HD11 LEU 43 1HD1 LEU 43 -4.664 -4.194 5.732 324 HD12 LEU 43 2HD1 LEU 43 -4.583 -5.469 4.517 325 HD13 LEU 43 3HD1 LEU 43 -3.110 -4.650 5.036 326 HD21 LEU 43 3HD2 LEU 43 -5.776 -7.006 6.164 327 HD22 LEU 43 1HD2 LEU 43 -5.792 -5.706 7.355 328 HD23 LEU 43 2HD2 LEU 43 -5.065 -7.263 7.758 329 H VAL 44 H VAL 44 -0.522 -8.943 7.571 330 HA VAL 44 HA VAL 44 0.269 -10.561 5.247 331 HB VAL 44 HB VAL 44 1.225 -10.734 8.114 332 HG11 VAL 44 1HG1 VAL 44 2.839 -12.381 7.265 333 HG12 VAL 44 2HG1 VAL 44 2.072 -12.306 5.679 334 HG13 VAL 44 3HG1 VAL 44 1.176 -12.933 7.063 335 HG21 VAL 44 3HG2 VAL 44 2.106 -8.786 6.941 336 HG22 VAL 44 1HG2 VAL 44 2.636 -9.817 5.611 337 HG23 VAL 44 2HG2 VAL 44 3.375 -9.983 7.204 338 H ASP 45 H ASP 45 -1.518 -11.635 4.763 339 HA ASP 45 HA ASP 45 -3.065 -13.260 4.800 340 HB2 ASP 45 1HB ASP 45 -1.555 -14.035 7.264 341 HB3 ASP 45 2HB ASP 45 -3.029 -14.886 6.811 342 H GLY 46 H GLY 46 -2.861 -12.229 8.188 343 HA2 GLY 46 1HA GLY 46 -5.557 -11.124 7.942 344 HA3 GLY 46 2HA GLY 46 -5.315 -12.396 9.127 345 H ILE 47 H ILE 47 -2.449 -10.832 9.173 346 HA ILE 47 HA ILE 47 -3.377 -9.034 11.329 347 HB ILE 47 HB ILE 47 -0.602 -10.173 11.243 348 HG12 ILE 47 1HG1 ILE 47 -2.964 -11.452 12.639 349 HG13 ILE 47 2HG1 ILE 47 -2.220 -12.075 11.170 350 HG21 ILE 47 1HG2 ILE 47 -0.700 -9.772 13.660 351 HG22 ILE 47 2HG2 ILE 47 -2.354 -9.184 13.487 352 HG23 ILE 47 3HG2 ILE 47 -1.022 -8.302 12.738 353 HD11 ILE 47 3HD1 ILE 47 -0.119 -12.401 12.385 354 HD12 ILE 47 1HD1 ILE 47 -1.453 -13.297 13.113 355 HD13 ILE 47 2HD1 ILE 47 -0.886 -11.800 13.855 356 H VAL 48 H VAL 48 -2.259 -7.048 11.585 357 HA VAL 48 HA VAL 48 -1.012 -6.072 9.121 358 HB VAL 48 HB VAL 48 -1.878 -4.500 11.560 359 HG11 VAL 48 1HG1 VAL 48 -0.141 -3.385 10.273 360 HG12 VAL 48 2HG1 VAL 48 -1.683 -2.549 10.091 361 HG13 VAL 48 3HG1 VAL 48 -1.086 -3.587 8.797 362 HG21 VAL 48 3HG2 VAL 48 -3.298 -4.863 8.923 363 HG22 VAL 48 1HG2 VAL 48 -3.807 -3.804 10.237 364 HG23 VAL 48 2HG2 VAL 48 -3.794 -5.552 10.469 365 H VAL 49 H VAL 49 1.156 -6.012 9.005 366 HA VAL 49 HA VAL 49 2.654 -6.369 11.486 367 HB VAL 49 HB VAL 49 4.614 -6.801 9.999 368 HG11 VAL 49 1HG1 VAL 49 3.280 -8.621 10.908 369 HG12 VAL 49 2HG1 VAL 49 3.838 -9.014 9.281 370 HG13 VAL 49 3HG1 VAL 49 2.168 -8.507 9.543 371 HG21 VAL 49 3HG2 VAL 49 3.893 -5.546 8.039 372 HG22 VAL 49 1HG2 VAL 49 2.543 -6.655 7.810 373 HG23 VAL 49 2HG2 VAL 49 4.198 -7.231 7.622 374 H ASP 50 H ASP 50 2.246 -4.013 8.920 375 HA ASP 50 HA ASP 50 3.668 -2.053 10.509 376 HB2 ASP 50 1HB ASP 50 5.421 -3.197 9.093 377 HB3 ASP 50 2HB ASP 50 4.579 -2.586 7.674 378 H THR 51 H THR 51 3.040 0.033 10.064 379 HA THR 51 HA THR 51 1.127 0.440 7.872 380 HB THR 51 HB THR 51 0.757 1.479 10.693 381 HG1 THR 51 HG1 THR 51 0.311 -0.751 10.579 382 HG21 THR 51 3HG2 THR 51 -1.041 1.628 8.270 383 HG22 THR 51 1HG2 THR 51 -0.160 2.974 8.992 384 HG23 THR 51 2HG2 THR 51 -1.455 2.183 9.891 385 H GLN 52 H GLN 52 1.476 2.275 6.744 386 HA GLN 52 HA GLN 52 3.239 4.308 7.950 387 HB2 GLN 52 1HB GLN 52 4.177 2.844 6.015 388 HB3 GLN 52 2HB GLN 52 3.122 3.806 4.990 389 HG2 GLN 52 1HG GLN 52 4.385 5.745 6.396 390 HG3 GLN 52 2HG GLN 52 5.641 4.510 6.307 391 HE21 GLN 52 2HE2 GLN 52 3.692 6.753 4.527 392 HE22 GLN 52 1HE2 GLN 52 4.556 6.638 3.031 393 H THR 53 H THR 53 2.324 6.256 8.102 394 HA THR 53 HA THR 53 -0.182 6.780 6.730 395 HB THR 53 HB THR 53 1.336 8.645 8.563 396 HG1 THR 53 HG1 THR 53 -0.788 6.922 9.359 397 HG21 THR 53 3HG2 THR 53 -1.589 8.469 7.819 398 HG22 THR 53 1HG2 THR 53 -0.447 9.686 7.249 399 HG23 THR 53 2HG2 THR 53 -0.883 9.619 8.956 400 H VAL 54 H VAL 54 -0.058 7.456 4.694 401 HA VAL 54 HA VAL 54 2.258 8.894 3.718 402 HB VAL 54 HB VAL 54 -0.325 8.263 2.269 403 HG11 VAL 54 1HG1 VAL 54 0.953 10.046 1.219 404 HG12 VAL 54 2HG1 VAL 54 1.006 8.582 0.237 405 HG13 VAL 54 3HG1 VAL 54 2.397 9.033 1.223 406 HG21 VAL 54 3HG2 VAL 54 2.266 6.713 2.296 407 HG22 VAL 54 1HG2 VAL 54 0.849 6.347 1.311 408 HG23 VAL 54 2HG2 VAL 54 0.760 6.216 3.067 409 H THR 55 H THR 55 2.449 11.032 3.700 410 HA THR 55 HA THR 55 0.734 12.761 4.989 411 HB THR 55 HB THR 55 2.588 13.592 2.754 412 HG1 THR 55 HG1 THR 55 3.869 13.780 5.024 413 HG21 THR 55 3HG2 THR 55 1.173 15.366 3.688 414 HG22 THR 55 1HG2 THR 55 2.866 15.613 4.115 415 HG23 THR 55 2HG2 THR 55 1.740 14.969 5.309 416 H SER 56 H SER 56 0.971 12.089 1.522 417 HA SER 56 HA SER 56 -1.710 12.504 0.944 418 HB2 SER 56 1HB SER 56 -1.240 14.881 1.473 419 HB3 SER 56 2HB SER 56 0.017 14.898 0.237 420 HG SER 56 HG SER 56 -2.677 14.221 -0.330 421 H LEU 57 H LEU 57 -2.130 12.387 -1.367 422 HA LEU 57 HA LEU 57 0.179 11.609 -2.995 423 HB2 LEU 57 1HB LEU 57 -0.724 9.545 -2.104 424 HB3 LEU 57 2HB LEU 57 -2.342 9.997 -2.600 425 HG LEU 57 HG LEU 57 -1.717 9.783 -4.946 426 HD11 LEU 57 1HD1 LEU 57 0.467 8.901 -5.588 427 HD12 LEU 57 2HD1 LEU 57 0.995 8.976 -3.907 428 HD13 LEU 57 3HD1 LEU 57 0.620 10.461 -4.780 429 HD21 LEU 57 3HD2 LEU 57 -0.913 7.399 -3.286 430 HD22 LEU 57 1HD2 LEU 57 -1.352 7.363 -4.994 431 HD23 LEU 57 2HD2 LEU 57 -2.552 7.819 -3.784 432 H GLU 58 H GLU 58 0.145 12.610 -4.873 433 HA GLU 58 HA GLU 58 -2.000 14.330 -5.599 434 HB2 GLU 58 1HB GLU 58 0.548 13.554 -7.012 435 HB3 GLU 58 2HB GLU 58 -0.594 14.726 -7.657 436 HG2 GLU 58 1HG GLU 58 0.878 14.946 -5.043 437 HG3 GLU 58 2HG GLU 58 1.246 15.825 -6.527 438 H SER 59 H SER 59 -3.035 14.372 -7.696 439 HA SER 59 HA SER 59 -4.246 11.885 -8.349 440 HB2 SER 59 1HB SER 59 -4.315 14.481 -9.909 441 HB3 SER 59 2HB SER 59 -5.485 13.163 -9.996 442 HG SER 59 HG SER 59 -5.770 13.601 -7.651 443 H GLU 60 H GLU 60 -3.642 10.398 -9.768 444 HA GLU 60 HA GLU 60 -2.644 9.324 -11.489 445 HB2 GLU 60 1HB GLU 60 -2.033 12.090 -12.542 446 HB3 GLU 60 2HB GLU 60 -1.892 10.590 -13.450 447 HG2 GLU 60 1HG GLU 60 -4.265 10.223 -13.306 448 HG3 GLU 60 2HG GLU 60 -4.455 11.639 -12.274 449 H ASN 61 H ASN 61 -1.203 10.431 -9.067 450 HA ASN 61 HA ASN 61 1.541 10.050 -10.069 451 HB2 ASN 61 1HB ASN 61 1.170 12.223 -8.934 452 HB3 ASN 61 2HB ASN 61 0.635 11.367 -7.493 453 HD21 ASN 61 2HD2 ASN 61 2.250 12.217 -6.204 454 HD22 ASN 61 1HD2 ASN 61 3.903 11.740 -6.353 455 H SER 62 H SER 62 2.868 8.565 -9.004 456 HA SER 62 HA SER 62 1.447 6.708 -7.224 457 HB2 SER 62 1HB SER 62 3.157 5.011 -8.095 458 HB3 SER 62 2HB SER 62 1.899 5.520 -9.219 459 HG SER 62 HG SER 62 3.336 6.542 -10.414 460 H THR 63 H THR 63 2.196 6.492 -5.248 461 HA THR 63 HA THR 63 4.930 7.427 -4.656 462 HB THR 63 HB THR 63 2.414 7.642 -2.993 463 HG1 THR 63 HG1 THR 63 4.046 9.425 -4.431 464 HG21 THR 63 3HG2 THR 63 3.797 8.708 -1.266 465 HG22 THR 63 1HG2 THR 63 5.248 8.322 -2.194 466 HG23 THR 63 2HG2 THR 63 4.258 7.024 -1.523 467 H ASN 64 H ASN 64 6.214 6.137 -3.388 468 HA ASN 64 HA ASN 64 5.247 3.395 -3.079 469 HB2 ASN 64 1HB ASN 64 7.984 4.628 -3.207 470 HB3 ASN 64 2HB ASN 64 7.759 2.997 -2.578 471 HD21 ASN 64 2HD2 ASN 64 9.162 3.915 -4.985 472 HD22 ASN 64 1HD2 ASN 64 8.416 3.073 -6.301 473 H VAL 65 H VAL 65 4.955 2.413 -1.209 474 HA VAL 65 HA VAL 65 5.305 3.970 1.246 475 HB VAL 65 HB VAL 65 3.890 1.322 0.911 476 HG11 VAL 65 1HG1 VAL 65 3.705 3.432 3.053 477 HG12 VAL 65 2HG1 VAL 65 4.506 1.866 3.198 478 HG13 VAL 65 3HG1 VAL 65 2.757 1.946 2.982 479 HG21 VAL 65 3HG2 VAL 65 2.757 4.107 0.739 480 HG22 VAL 65 1HG2 VAL 65 1.802 2.626 0.833 481 HG23 VAL 65 2HG2 VAL 65 2.842 2.916 -0.562 482 H ASP 66 H ASP 66 6.646 3.355 2.877 483 HA ASP 66 HA ASP 66 8.537 1.205 2.208 484 HB2 ASP 66 1HB ASP 66 9.378 3.563 2.438 485 HB3 ASP 66 2HB ASP 66 8.910 3.509 4.133 486 H PHE 67 H PHE 67 7.607 -0.595 3.118 487 HA PHE 67 HA PHE 67 6.881 -0.511 5.959 488 HB2 PHE 67 1HB PHE 67 6.657 -2.784 3.972 489 HB3 PHE 67 2HB PHE 67 6.070 -2.808 5.626 490 HD1 PHE 67 HD1 PHE 67 4.437 -0.687 6.130 491 HD2 PHE 67 HD2 PHE 67 5.105 -2.536 2.357 492 HE1 PHE 67 HE1 PHE 67 2.229 0.080 5.363 493 HE2 PHE 67 HE2 PHE 67 2.905 -1.767 1.584 494 HZ PHE 67 HZ PHE 67 1.465 -0.467 3.087 495 H HIS 68 H HIS 68 7.855 -1.921 7.481 496 HA HIS 68 HA HIS 68 10.176 -3.450 6.521 497 HB2 HIS 68 1HB HIS 68 10.022 -1.821 9.068 498 HB3 HIS 68 2HB HIS 68 11.297 -2.985 8.718 499 HD1 HIS 68 HD1 HIS 68 13.239 -2.166 7.321 500 HD2 HIS 68 HD2 HIS 68 9.998 0.443 7.270 501 HE1 HIS 68 HE1 HIS 68 14.023 -0.123 6.078 502 HE2 HIS 68 HE2 HIS 68 11.954 1.297 5.820 503 H TRP 69 H TRP 69 9.883 -5.524 6.827 504 HA TRP 69 HA TRP 69 8.128 -6.422 9.004 505 HB2 TRP 69 1HB TRP 69 6.627 -6.571 7.245 506 HB3 TRP 69 2HB TRP 69 7.882 -6.902 6.061 507 HD1 TRP 69 HD1 TRP 69 6.868 -8.917 9.236 508 HE1 TRP 69 HE1 TRP 69 6.458 -11.350 8.514 509 HE3 TRP 69 HE3 TRP 69 7.559 -8.382 4.200 510 HZ2 TRP 69 HZ2 TRP 69 6.435 -12.847 6.100 511 HZ3 TRP 69 HZ3 TRP 69 7.310 -10.356 2.756 512 HH2 TRP 69 HH2 TRP 69 6.752 -12.539 3.690 513 H THR 70 H THR 70 9.022 -7.940 10.204 514 HA THR 70 HA THR 70 11.580 -9.048 9.502 515 HB THR 70 HB THR 70 9.913 -9.817 11.892 516 HG1 THR 70 HG1 THR 70 11.445 -7.940 12.729 517 HG21 THR 70 3HG2 THR 70 12.105 -10.090 12.956 518 HG22 THR 70 1HG2 THR 70 12.897 -9.586 11.462 519 HG23 THR 70 2HG2 THR 70 11.974 -11.088 11.508 520 H LEU 71 H LEU 71 11.715 -10.778 8.183 521 HA LEU 71 HA LEU 71 9.580 -12.615 7.800 522 HB2 LEU 71 1HB LEU 71 12.239 -12.205 6.726 523 HB3 LEU 71 2HB LEU 71 11.901 -13.905 6.979 524 HG LEU 71 HG LEU 71 11.302 -13.360 4.734 525 HD11 LEU 71 1HD1 LEU 71 8.950 -13.950 4.691 526 HD12 LEU 71 2HD1 LEU 71 8.819 -13.571 6.410 527 HD13 LEU 71 3HD1 LEU 71 9.831 -14.914 5.876 528 HD21 LEU 71 3HD2 LEU 71 9.696 -11.633 4.172 529 HD22 LEU 71 1HD2 LEU 71 11.084 -10.947 5.015 530 HD23 LEU 71 2HD2 LEU 71 9.563 -11.189 5.875 531 H ASP 72 H ASP 72 8.970 -14.178 9.087 532 HA ASP 72 HA ASP 72 10.712 -15.114 11.207 533 HB2 ASP 72 1HB ASP 72 8.369 -14.631 11.735 534 HB3 ASP 72 2HB ASP 72 7.843 -15.817 10.545 535 H GLY 73 H GLY 73 9.260 -16.287 8.236 536 HA2 GLY 73 1HA GLY 73 10.157 -18.013 6.901 537 HA3 GLY 73 2HA GLY 73 11.071 -18.582 8.293 538 H THR 74 H THR 74 7.821 -17.836 8.913 539 HA THR 74 HA THR 74 7.149 -20.406 9.804 540 HB THR 74 HB THR 74 4.952 -18.608 8.928 541 HG1 THR 74 HG1 THR 74 6.839 -17.897 10.966 542 HG21 THR 74 3HG2 THR 74 4.513 -20.576 10.305 543 HG22 THR 74 1HG2 THR 74 4.123 -19.097 11.183 544 HG23 THR 74 2HG2 THR 74 5.614 -19.968 11.541 545 H ALA 75 H ALA 75 6.586 -18.740 6.770 546 HA ALA 75 HA ALA 75 5.826 -21.279 5.536 547 HB1 ALA 75 3HB ALA 75 3.732 -20.106 6.028 548 HB2 ALA 75 1HB ALA 75 4.016 -20.207 4.290 549 HB3 ALA 75 2HB ALA 75 4.314 -18.694 5.145 550 H ASN 76 H ASN 76 6.135 -21.282 3.217 551 HA ASN 76 HA ASN 76 8.436 -19.698 2.455 552 HB2 ASN 76 1HB ASN 76 6.910 -21.931 1.118 553 HB3 ASN 76 2HB ASN 76 8.200 -21.061 0.294 554 HD21 ASN 76 2HD2 ASN 76 8.400 -21.558 3.711 555 HD22 ASN 76 1HD2 ASN 76 9.630 -22.768 3.673 556 H SER 77 H SER 77 5.106 -19.385 2.237 557 HA SER 77 HA SER 77 5.404 -17.123 0.426 558 HB2 SER 77 1HB SER 77 3.222 -17.859 -0.696 559 HB3 SER 77 2HB SER 77 4.677 -18.759 -1.123 560 HG SER 77 HG SER 77 2.708 -19.540 0.772 561 H TYR 78 H TYR 78 4.543 -15.401 1.343 562 HA TYR 78 HA TYR 78 2.491 -15.765 3.425 563 HB2 TYR 78 1HB TYR 78 4.515 -13.580 2.935 564 HB3 TYR 78 2HB TYR 78 3.156 -13.363 4.025 565 HD1 TYR 78 HD1 TYR 78 6.174 -15.465 3.445 566 HD2 TYR 78 HD2 TYR 78 3.282 -14.077 6.235 567 HE1 TYR 78 HE1 TYR 78 7.502 -16.410 5.286 568 HE2 TYR 78 HE2 TYR 78 4.596 -15.020 8.080 569 HH TYR 78 HH TYR 78 6.282 -16.592 8.540 570 H THR 79 H THR 79 0.646 -14.400 3.441 571 HA THR 79 HA THR 79 -0.092 -13.456 0.769 572 HB THR 79 HB THR 79 -1.901 -13.694 3.178 573 HG1 THR 79 HG1 THR 79 -1.585 -15.778 2.950 574 HG21 THR 79 3HG2 THR 79 -2.465 -13.702 0.209 575 HG22 THR 79 1HG2 THR 79 -2.761 -12.356 1.311 576 HG23 THR 79 2HG2 THR 79 -3.667 -13.859 1.491 577 H LEU 80 H LEU 80 1.006 -11.460 0.716 578 HA LEU 80 HA LEU 80 0.537 -9.587 2.882 579 HB2 LEU 80 1HB LEU 80 2.452 -9.794 0.657 580 HB3 LEU 80 2HB LEU 80 1.956 -8.163 1.072 581 HG LEU 80 HG LEU 80 2.703 -8.493 3.375 582 HD11 LEU 80 1HD1 LEU 80 2.276 -10.888 3.569 583 HD12 LEU 80 2HD1 LEU 80 3.932 -10.491 4.029 584 HD13 LEU 80 3HD1 LEU 80 3.605 -11.219 2.457 585 HD21 LEU 80 3HD2 LEU 80 5.106 -8.611 2.944 586 HD22 LEU 80 1HD2 LEU 80 4.278 -7.612 1.749 587 HD23 LEU 80 2HD2 LEU 80 4.784 -9.250 1.332 588 H THR 81 H THR 81 -1.032 -8.218 2.902 589 HA THR 81 HA THR 81 -2.331 -7.478 0.360 590 HB THR 81 HB THR 81 -3.644 -7.707 3.079 591 HG1 THR 81 HG1 THR 81 -2.935 -9.699 1.778 592 HG21 THR 81 3HG2 THR 81 -5.738 -7.477 1.816 593 HG22 THR 81 1HG2 THR 81 -4.816 -7.256 0.329 594 HG23 THR 81 2HG2 THR 81 -4.708 -6.060 1.619 595 H VAL 82 H VAL 82 -1.973 -5.423 -0.121 596 HA VAL 82 HA VAL 82 -1.385 -3.494 1.990 597 HB VAL 82 HB VAL 82 -1.455 -3.065 -1.005 598 HG11 VAL 82 1HG1 VAL 82 -1.752 -1.010 0.264 599 HG12 VAL 82 2HG1 VAL 82 -0.171 -1.037 -0.518 600 HG13 VAL 82 3HG1 VAL 82 -0.308 -1.369 1.210 601 HG21 VAL 82 3HG2 VAL 82 0.251 -4.694 -0.429 602 HG22 VAL 82 1HG2 VAL 82 0.892 -3.611 0.808 603 HG23 VAL 82 2HG2 VAL 82 0.996 -3.164 -0.893 604 H ASN 83 H ASN 83 -3.208 -2.857 3.020 605 HA ASN 83 HA ASN 83 -5.531 -2.173 1.354 606 HB2 ASN 83 1HB ASN 83 -5.850 -3.709 3.330 607 HB3 ASN 83 2HB ASN 83 -5.437 -2.348 4.371 608 HD21 ASN 83 2HD2 ASN 83 -6.877 -0.625 4.550 609 HD22 ASN 83 1HD2 ASN 83 -8.524 -0.753 4.045 610 H VAL 84 H VAL 84 -5.638 -0.157 0.736 611 HA VAL 84 HA VAL 84 -4.064 1.869 2.027 612 HB VAL 84 HB VAL 84 -5.955 2.079 -0.317 613 HG11 VAL 84 1HG1 VAL 84 -3.909 4.036 0.709 614 HG12 VAL 84 2HG1 VAL 84 -5.660 4.236 0.761 615 HG13 VAL 84 3HG1 VAL 84 -4.822 4.198 -0.792 616 HG21 VAL 84 3HG2 VAL 84 -4.041 0.591 -0.698 617 HG22 VAL 84 1HG2 VAL 84 -2.948 1.898 -0.238 618 HG23 VAL 84 2HG2 VAL 84 -3.949 2.052 -1.683 619 H ASP 85 H ASP 85 -4.735 2.531 3.870 620 HA ASP 85 HA ASP 85 -5.892 3.482 5.522 621 HB2 ASP 85 1HB ASP 85 -6.115 5.254 3.700 622 HB3 ASP 85 2HB ASP 85 -7.766 4.668 3.495 623 HA PRO 86 HA PRO 86 -9.146 0.291 5.767 624 HB2 PRO 86 1HB PRO 86 -8.134 -0.016 8.486 625 HB3 PRO 86 2HB PRO 86 -8.217 -1.213 7.192 626 HG2 PRO 86 1HG PRO 86 -5.875 -0.192 8.096 627 HG3 PRO 86 2HG PRO 86 -6.113 -0.719 6.420 628 HD2 PRO 86 1HD PRO 86 -6.147 2.053 7.560 629 HD3 PRO 86 2HD PRO 86 -5.435 1.468 6.040 630 H GLU 87 H GLU 87 -8.453 3.230 7.144 631 HA GLU 87 HA GLU 87 -10.528 3.268 9.151 632 HB2 GLU 87 1HB GLU 87 -8.903 5.554 8.019 633 HB3 GLU 87 2HB GLU 87 -9.817 5.556 9.521 634 HG2 GLU 87 1HG GLU 87 -7.496 3.718 9.008 635 HG3 GLU 87 2HG GLU 87 -7.330 5.308 9.748 636 H ASN 88 H ASN 88 -10.156 3.931 5.814 637 HA ASN 88 HA ASN 88 -11.524 4.657 4.169 638 HB2 ASN 88 1HB ASN 88 -13.146 3.082 5.348 639 HB3 ASN 88 2HB ASN 88 -13.811 4.500 6.149 640 HD21 ASN 88 2HD2 ASN 88 -13.397 2.868 3.090 641 HD22 ASN 88 1HD2 ASN 88 -14.647 3.715 2.241 642 H ALA 89 H ALA 89 -10.130 6.464 5.834 643 HA ALA 89 HA ALA 89 -11.793 8.756 6.364 644 HB1 ALA 89 3HB ALA 89 -8.788 8.535 6.157 645 HB2 ALA 89 1HB ALA 89 -9.734 8.364 7.635 646 HB3 ALA 89 2HB ALA 89 -9.679 9.916 6.797 647 H VAL 90 H VAL 90 -9.705 7.625 3.792 648 HA VAL 90 HA VAL 90 -10.522 9.884 2.109 649 HB VAL 90 HB VAL 90 -8.511 7.689 1.544 650 HG11 VAL 90 1HG1 VAL 90 -9.565 8.469 -0.499 651 HG12 VAL 90 2HG1 VAL 90 -7.902 9.053 -0.413 652 HG13 VAL 90 3HG1 VAL 90 -9.239 10.145 -0.053 653 HG21 VAL 90 3HG2 VAL 90 -7.745 9.241 3.266 654 HG22 VAL 90 1HG2 VAL 90 -8.089 10.605 2.201 655 HG23 VAL 90 2HG2 VAL 90 -6.828 9.448 1.774 656 H ASN 91 H ASN 91 -12.377 9.587 1.075 657 HA ASN 91 HA ASN 91 -13.447 6.932 0.685 658 HB2 ASN 91 1HB ASN 91 -14.861 8.854 1.414 659 HB3 ASN 91 2HB ASN 91 -14.599 9.598 -0.160 660 HD21 ASN 91 2HD2 ASN 91 -16.775 9.573 -0.659 661 HD22 ASN 91 1HD2 ASN 91 -17.632 8.110 -1.025 662 H GLU 92 H GLU 92 -13.264 5.763 -1.109 663 HA GLU 92 HA GLU 92 -11.943 6.868 -3.433 664 HB2 GLU 92 1HB GLU 92 -13.072 4.108 -2.959 665 HB3 GLU 92 2HB GLU 92 -12.128 4.589 -4.354 666 HG2 GLU 92 1HG GLU 92 -10.281 5.134 -2.686 667 HG3 GLU 92 2HG GLU 92 -11.237 4.198 -1.530 668 H GLY 93 H GLY 93 -12.797 6.657 -5.586 669 HA2 GLY 93 1HA GLY 93 -15.525 6.921 -6.147 670 HA3 GLY 93 2HA GLY 93 -14.330 6.225 -7.243 671 H ASN 94 H ASN 94 -14.327 4.088 -7.593 672 HA ASN 94 HA ASN 94 -16.315 2.383 -6.429 673 HB2 ASN 94 1HB ASN 94 -13.831 1.456 -7.878 674 HB3 ASN 94 2HB ASN 94 -15.375 0.627 -7.746 675 HD21 ASN 94 2HD2 ASN 94 -13.776 1.367 -10.060 676 HD22 ASN 94 1HD2 ASN 94 -14.816 2.306 -11.073 677 H GLU 95 H GLU 95 -15.932 2.496 -4.162 678 HA GLU 95 HA GLU 95 -13.484 2.079 -2.880 679 HB2 GLU 95 1HB GLU 95 -16.293 1.488 -1.944 680 HB3 GLU 95 2HB GLU 95 -14.880 1.379 -0.905 681 HG2 GLU 95 1HG GLU 95 -14.443 3.726 -1.173 682 HG3 GLU 95 2HG GLU 95 -15.752 3.870 -2.346 683 H SER 96 H SER 96 -12.258 0.446 -3.491 684 HA SER 96 HA SER 96 -12.532 -2.205 -2.807 685 HB2 SER 96 1HB SER 96 -13.696 -1.619 -5.529 686 HB3 SER 96 2HB SER 96 -12.933 -3.169 -5.189 687 HG SER 96 HG SER 96 -14.940 -2.143 -3.492 688 H ASN 97 H ASN 97 -11.315 0.222 -4.954 689 HA ASN 97 HA ASN 97 -9.219 -1.354 -6.083 690 HB2 ASN 97 1HB ASN 97 -9.864 1.583 -6.086 691 HB3 ASN 97 2HB ASN 97 -8.336 0.993 -6.732 692 HD21 ASN 97 2HD2 ASN 97 -10.440 2.341 -8.136 693 HD22 ASN 97 1HD2 ASN 97 -10.971 1.251 -9.378 694 H ASN 98 H ASN 98 -9.628 0.309 -3.136 695 HA ASN 98 HA ASN 98 -6.930 1.048 -2.651 696 HB2 ASN 98 1HB ASN 98 -7.661 1.667 -0.471 697 HB3 ASN 98 2HB ASN 98 -8.982 2.042 -1.565 698 HD21 ASN 98 2HD2 ASN 98 -8.978 1.573 1.307 699 HD22 ASN 98 1HD2 ASN 98 -10.091 0.275 1.576 700 H THR 99 H THR 99 -7.549 -1.904 -3.256 701 HA THR 99 HA THR 99 -6.048 -2.959 -0.958 702 HB THR 99 HB THR 99 -8.046 -4.689 -2.355 703 HG1 THR 99 HG1 THR 99 -8.680 -2.471 -1.014 704 HG21 THR 99 3HG2 THR 99 -6.974 -4.628 0.466 705 HG22 THR 99 1HG2 THR 99 -6.441 -5.716 -0.814 706 HG23 THR 99 2HG2 THR 99 -8.086 -5.830 -0.188 707 H LEU 100 H LEU 100 -4.616 -4.602 -1.397 708 HA LEU 100 HA LEU 100 -4.263 -5.539 -4.131 709 HB2 LEU 100 1HB LEU 100 -2.821 -3.612 -4.104 710 HB3 LEU 100 2HB LEU 100 -2.151 -4.068 -2.549 711 HG LEU 100 HG LEU 100 -1.212 -6.131 -3.705 712 HD11 LEU 100 1HD1 LEU 100 -0.905 -5.987 -6.123 713 HD12 LEU 100 2HD1 LEU 100 -1.906 -4.535 -6.167 714 HD13 LEU 100 3HD1 LEU 100 -2.615 -6.080 -5.696 715 HD21 LEU 100 3HD2 LEU 100 0.176 -4.248 -3.063 716 HD22 LEU 100 1HD2 LEU 100 -0.243 -3.406 -4.556 717 HD23 LEU 100 2HD2 LEU 100 0.698 -4.896 -4.619 718 H THR 101 H THR 101 -4.589 -7.645 -3.661 719 HA THR 101 HA THR 101 -3.217 -8.837 -1.379 720 HB THR 101 HB THR 101 -4.998 -10.237 -3.383 721 HG1 THR 101 HG1 THR 101 -6.129 -8.512 -2.351 722 HG21 THR 101 3HG2 THR 101 -5.304 -11.855 -1.566 723 HG22 THR 101 1HG2 THR 101 -4.212 -10.918 -0.544 724 HG23 THR 101 2HG2 THR 101 -3.602 -11.701 -2.000 725 H ALA 102 H ALA 102 -1.087 -9.015 -1.850 726 HA ALA 102 HA ALA 102 -0.372 -10.347 -4.382 727 HB1 ALA 102 3HB ALA 102 1.279 -8.375 -2.803 728 HB2 ALA 102 1HB ALA 102 0.390 -8.014 -4.283 729 HB3 ALA 102 2HB ALA 102 1.741 -9.147 -4.320 730 H LEU 103 H LEU 103 0.611 -12.238 -4.224 731 HA LEU 103 HA LEU 103 1.333 -13.232 -1.598 732 HB2 LEU 103 1HB LEU 103 1.228 -14.500 -4.323 733 HB3 LEU 103 2HB LEU 103 1.867 -15.337 -2.922 734 HG LEU 103 HG LEU 103 -0.947 -14.287 -3.200 735 HD11 LEU 103 1HD1 LEU 103 -1.557 -16.655 -3.281 736 HD12 LEU 103 2HD1 LEU 103 0.155 -17.087 -3.272 737 HD13 LEU 103 3HD1 LEU 103 -0.525 -16.197 -4.636 738 HD21 LEU 103 3HD2 LEU 103 -0.192 -14.229 -0.893 739 HD22 LEU 103 1HD2 LEU 103 0.362 -15.900 -1.014 740 HD23 LEU 103 2HD2 LEU 103 -1.360 -15.530 -1.127 741 H VAL 104 H VAL 104 3.268 -13.051 -0.790 742 HA VAL 104 HA VAL 104 5.522 -12.648 -2.635 743 HB VAL 104 HB VAL 104 6.767 -11.698 -0.725 744 HG11 VAL 104 1HG1 VAL 104 5.554 -10.215 -2.235 745 HG12 VAL 104 2HG1 VAL 104 5.549 -9.580 -0.588 746 HG13 VAL 104 3HG1 VAL 104 4.109 -10.366 -1.235 747 HG21 VAL 104 3HG2 VAL 104 4.155 -11.970 0.754 748 HG22 VAL 104 1HG2 VAL 104 5.567 -11.082 1.326 749 HG23 VAL 104 2HG2 VAL 104 5.654 -12.831 1.108 750 H GLY 105 H GLY 105 7.184 -14.056 -2.647 751 HA2 GLY 105 1HA GLY 105 6.887 -16.361 -0.819 752 HA3 GLY 105 2HA GLY 105 7.366 -16.519 -2.504 753 H THR 106 H THR 106 8.810 -17.425 -0.176 754 HA THR 106 HA THR 106 10.985 -15.738 0.374 755 HB THR 106 HB THR 106 12.203 -17.857 0.951 756 HG1 THR 106 HG1 THR 106 10.002 -18.904 -0.386 757 HG21 THR 106 3HG2 THR 106 10.726 -18.437 2.834 758 HG22 THR 106 1HG2 THR 106 9.413 -17.540 2.069 759 HG23 THR 106 2HG2 THR 106 10.860 -16.692 2.618 760 H LEU 107 H LEU 107 13.053 -15.612 -0.537 761 HA LEU 107 HA LEU 107 13.162 -15.456 -3.292 762 HB2 LEU 107 1HB LEU 107 14.716 -14.319 -1.744 763 HB3 LEU 107 2HB LEU 107 15.492 -15.856 -1.416 764 HG LEU 107 HG LEU 107 16.170 -15.998 -3.793 765 HD11 LEU 107 1HD1 LEU 107 15.035 -13.210 -3.968 766 HD12 LEU 107 2HD1 LEU 107 14.386 -14.646 -4.760 767 HD13 LEU 107 3HD1 LEU 107 15.972 -14.027 -5.218 768 HD21 LEU 107 3HD2 LEU 107 17.700 -15.085 -2.135 769 HD22 LEU 107 1HD2 LEU 107 17.019 -13.475 -2.373 770 HD23 LEU 107 2HD2 LEU 107 17.893 -14.266 -3.685 771 H GLU 108 H GLU 108 13.401 -16.844 -4.878 772 HA GLU 108 HA GLU 108 13.285 -19.599 -4.616 773 HB2 GLU 108 1HB GLU 108 14.493 -18.113 -6.949 774 HB3 GLU 108 2HB GLU 108 13.784 -19.720 -6.977 775 HG2 GLU 108 1HG GLU 108 11.597 -18.801 -6.544 776 HG3 GLU 108 2HG GLU 108 12.282 -17.181 -6.396 777 H HIS 109 H HIS 109 16.034 -17.485 -4.701 778 HA HIS 109 HA HIS 109 18.033 -19.304 -5.419 779 HB2 HIS 109 1HB HIS 109 18.210 -16.785 -5.321 780 HB3 HIS 109 2HB HIS 109 18.376 -16.935 -3.576 781 HD1 HIS 109 HD1 HIS 109 20.156 -17.891 -6.774 782 HD2 HIS 109 HD2 HIS 109 20.916 -17.486 -2.703 783 HE1 HIS 109 HE1 HIS 109 22.645 -18.127 -6.520 784 HE2 HIS 109 HE2 HIS 109 23.098 -17.682 -4.084 785 H HIS 110 H HIS 110 16.328 -18.865 -2.418 786 HA HIS 110 HA HIS 110 18.292 -20.560 -1.049 787 HB2 HIS 110 1HB HIS 110 17.419 -18.381 0.004 788 HB3 HIS 110 2HB HIS 110 15.924 -19.270 0.292 789 HD1 HIS 110 HD1 HIS 110 15.935 -19.872 2.718 790 HD2 HIS 110 HD2 HIS 110 19.651 -20.436 0.951 791 HE1 HIS 110 HE1 HIS 110 17.370 -20.924 4.488 792 HE2 HIS 110 HE2 HIS 110 19.546 -21.454 3.327 793 H HIS 111 H HIS 111 15.995 -21.226 -3.049 794 HA HIS 111 HA HIS 111 14.997 -23.515 -1.491 795 HB2 HIS 111 1HB HIS 111 14.169 -22.427 -4.189 796 HB3 HIS 111 2HB HIS 111 13.624 -23.982 -3.576 797 HD1 HIS 111 HD1 HIS 111 12.404 -23.724 -1.065 798 HD2 HIS 111 HD2 HIS 111 12.452 -20.437 -3.619 799 HE1 HIS 111 HE1 HIS 111 10.558 -22.216 -0.270 800 HE2 HIS 111 HE2 HIS 111 10.490 -20.326 -1.933 801 H HIS 112 H HIS 112 16.834 -22.561 -4.316 802 HA HIS 112 HA HIS 112 17.607 -25.234 -5.019 803 HB2 HIS 112 1HB HIS 112 17.489 -23.116 -6.522 804 HB3 HIS 112 2HB HIS 112 19.066 -22.733 -5.846 805 HD1 HIS 112 HD1 HIS 112 17.323 -25.180 -8.085 806 HD2 HIS 112 HD2 HIS 112 21.183 -24.233 -6.859 807 HE1 HIS 112 HE1 HIS 112 18.855 -26.453 -9.620 808 HE2 HIS 112 HE2 HIS 112 21.175 -25.675 -9.010 809 H HIS 113 H HIS 113 18.744 -22.685 -2.977 810 HA HIS 113 HA HIS 113 21.022 -24.345 -2.125 811 HB2 HIS 113 1HB HIS 113 20.499 -21.383 -1.918 812 HB3 HIS 113 2HB HIS 113 21.683 -22.178 -0.891 813 HD1 HIS 113 HD1 HIS 113 23.385 -20.531 -2.084 814 HD2 HIS 113 HD2 HIS 113 21.757 -23.510 -4.488 815 HE1 HIS 113 HE1 HIS 113 24.843 -20.624 -4.132 816 HE2 HIS 113 HE2 HIS 113 23.975 -22.582 -5.455 817 H HIS 114 H HIS 114 21.439 -24.130 0.303 818 HA HIS 114 HA HIS 114 19.048 -23.630 1.880 819 HB2 HIS 114 1HB HIS 114 20.297 -26.321 1.537 820 HB3 HIS 114 2HB HIS 114 19.702 -25.881 3.133 821 HD1 HIS 114 HD1 HIS 114 17.140 -25.613 3.418 822 HD2 HIS 114 HD2 HIS 114 18.327 -26.817 -0.385 823 HE1 HIS 114 HE1 HIS 114 15.047 -26.409 2.270 824 HE2 HIS 114 HE2 HIS 114 15.807 -27.259 0.020 Start of MODEL 4 1 H1 MET 1 1H MET 1 -16.294 13.971 -8.016 2 H2 MET 1 2H MET 1 -15.972 15.502 -8.671 3 H3 MET 1 3H MET 1 -16.095 15.308 -6.990 4 HA MET 1 HA MET 1 -14.004 14.153 -8.739 5 HB2 MET 1 1HB MET 1 -13.942 16.381 -6.695 6 HB3 MET 1 2HB MET 1 -12.496 15.604 -7.325 7 HG2 MET 1 1HG MET 1 -13.133 16.313 -9.591 8 HG3 MET 1 2HG MET 1 -14.530 17.147 -8.914 9 HE1 MET 1 3HE MET 1 -13.697 19.362 -10.177 10 HE2 MET 1 1HE MET 1 -12.290 18.488 -10.787 11 HE3 MET 1 2HE MET 1 -12.082 20.042 -9.978 12 H ILE 2 H ILE 2 -13.965 12.093 -8.013 13 HA ILE 2 HA ILE 2 -13.417 11.762 -5.134 14 HB ILE 2 HB ILE 2 -15.361 10.453 -6.597 15 HG12 ILE 2 1HG1 ILE 2 -13.922 9.435 -4.143 16 HG13 ILE 2 2HG1 ILE 2 -15.207 10.638 -4.151 17 HG21 ILE 2 1HG2 ILE 2 -13.063 8.520 -6.299 18 HG22 ILE 2 2HG2 ILE 2 -13.663 9.161 -7.832 19 HG23 ILE 2 3HG2 ILE 2 -14.698 8.134 -6.837 20 HD11 ILE 2 3HD1 ILE 2 -15.460 7.761 -4.996 21 HD12 ILE 2 1HD1 ILE 2 -16.751 8.962 -5.047 22 HD13 ILE 2 2HD1 ILE 2 -16.061 8.474 -3.500 23 HA PRO 3 HA PRO 3 -9.328 10.512 -6.422 24 HB2 PRO 3 1HB PRO 3 -9.144 9.025 -3.904 25 HB3 PRO 3 2HB PRO 3 -8.226 10.438 -4.435 26 HG2 PRO 3 1HG PRO 3 -10.067 10.569 -2.461 27 HG3 PRO 3 2HG PRO 3 -9.755 11.922 -3.565 28 HD2 PRO 3 1HD PRO 3 -11.977 9.914 -3.609 29 HD3 PRO 3 2HD PRO 3 -12.037 11.667 -3.900 30 H ASP 4 H ASP 4 -8.222 8.591 -7.028 31 HA ASP 4 HA ASP 4 -9.701 6.086 -6.690 32 HB2 ASP 4 1HB ASP 4 -10.018 7.126 -9.020 33 HB3 ASP 4 2HB ASP 4 -8.298 6.856 -9.266 34 H LEU 5 H LEU 5 -8.282 5.389 -5.126 35 HA LEU 5 HA LEU 5 -5.407 5.708 -5.694 36 HB2 LEU 5 1HB LEU 5 -6.825 4.869 -3.152 37 HB3 LEU 5 2HB LEU 5 -5.098 5.122 -3.317 38 HG LEU 5 HG LEU 5 -7.146 7.308 -3.687 39 HD11 LEU 5 1HD1 LEU 5 -7.229 6.469 -1.398 40 HD12 LEU 5 2HD1 LEU 5 -6.480 8.064 -1.457 41 HD13 LEU 5 3HD1 LEU 5 -5.477 6.627 -1.268 42 HD21 LEU 5 3HD2 LEU 5 -5.036 7.717 -4.812 43 HD22 LEU 5 1HD2 LEU 5 -4.153 7.337 -3.333 44 HD23 LEU 5 2HD2 LEU 5 -5.189 8.764 -3.401 45 H VAL 6 H VAL 6 -4.245 4.005 -6.249 46 HA VAL 6 HA VAL 6 -5.532 1.369 -6.023 47 HB VAL 6 HB VAL 6 -3.832 2.270 -8.350 48 HG11 VAL 6 1HG1 VAL 6 -4.005 -0.138 -8.051 49 HG12 VAL 6 2HG1 VAL 6 -4.853 0.379 -9.507 50 HG13 VAL 6 3HG1 VAL 6 -5.765 -0.023 -8.052 51 HG21 VAL 6 3HG2 VAL 6 -5.897 2.638 -9.614 52 HG22 VAL 6 1HG2 VAL 6 -5.797 3.727 -8.227 53 HG23 VAL 6 2HG2 VAL 6 -6.847 2.309 -8.166 54 HA PRO 7 HA PRO 7 -1.358 0.180 -4.848 55 HB2 PRO 7 1HB PRO 7 -2.060 -2.407 -4.200 56 HB3 PRO 7 2HB PRO 7 -2.133 -1.038 -3.092 57 HG2 PRO 7 1HG PRO 7 -4.320 -2.543 -4.174 58 HG3 PRO 7 2HG PRO 7 -4.387 -1.164 -3.073 59 HD2 PRO 7 1HD PRO 7 -4.794 -1.257 -5.993 60 HD3 PRO 7 2HD PRO 7 -5.354 -0.055 -4.811 61 H VAL 8 H VAL 8 -0.160 -0.004 -6.596 62 HA VAL 8 HA VAL 8 -1.227 -1.259 -8.959 63 HB VAL 8 HB VAL 8 1.464 0.079 -8.708 64 HG11 VAL 8 1HG1 VAL 8 1.121 -1.062 -10.800 65 HG12 VAL 8 2HG1 VAL 8 1.030 0.683 -11.064 66 HG13 VAL 8 3HG1 VAL 8 -0.447 -0.279 -11.007 67 HG21 VAL 8 3HG2 VAL 8 -0.189 1.580 -7.750 68 HG22 VAL 8 1HG2 VAL 8 -1.207 1.396 -9.177 69 HG23 VAL 8 2HG2 VAL 8 0.364 2.185 -9.312 70 H SER 9 H SER 9 1.722 -1.609 -7.010 71 HA SER 9 HA SER 9 1.847 -4.421 -7.600 72 HB2 SER 9 1HB SER 9 4.238 -4.182 -8.489 73 HB3 SER 9 2HB SER 9 2.936 -3.744 -9.592 74 HG SER 9 HG SER 9 4.434 -1.919 -8.001 75 H LEU 10 H LEU 10 3.669 -5.471 -6.450 76 HA LEU 10 HA LEU 10 4.685 -3.843 -4.212 77 HB2 LEU 10 1HB LEU 10 2.952 -5.216 -3.304 78 HB3 LEU 10 2HB LEU 10 3.511 -6.621 -4.185 79 HG LEU 10 HG LEU 10 5.571 -6.609 -2.753 80 HD11 LEU 10 1HD1 LEU 10 4.017 -4.547 -1.199 81 HD12 LEU 10 2HD1 LEU 10 5.549 -4.293 -2.038 82 HD13 LEU 10 3HD1 LEU 10 5.474 -5.371 -0.642 83 HD21 LEU 10 3HD2 LEU 10 4.439 -7.564 -0.802 84 HD22 LEU 10 1HD2 LEU 10 3.717 -8.114 -2.314 85 HD23 LEU 10 2HD2 LEU 10 2.912 -6.871 -1.355 86 H THR 11 H THR 11 6.815 -3.847 -4.110 87 HA THR 11 HA THR 11 8.304 -6.134 -5.199 88 HB THR 11 HB THR 11 10.162 -4.534 -5.686 89 HG1 THR 11 HG1 THR 11 9.201 -2.272 -6.000 90 HG21 THR 11 3HG2 THR 11 7.562 -4.063 -7.146 91 HG22 THR 11 1HG2 THR 11 8.712 -5.362 -7.461 92 HG23 THR 11 2HG2 THR 11 9.170 -3.686 -7.766 93 HA PRO 12 HA PRO 12 9.938 -7.132 -5.097 94 HB2 PRO 12 1HB PRO 12 11.281 -9.105 -3.908 95 HB3 PRO 12 2HB PRO 12 12.032 -7.529 -4.189 96 HG2 PRO 12 1HG PRO 12 10.964 -8.698 -1.667 97 HG3 PRO 12 2HG PRO 12 12.347 -7.619 -1.910 98 HD2 PRO 12 1HD PRO 12 9.759 -6.881 -1.086 99 HD3 PRO 12 2HD PRO 12 11.059 -5.789 -1.600 100 H VAL 13 H VAL 13 9.508 -9.513 -5.530 101 HA VAL 13 HA VAL 13 7.041 -10.297 -4.157 102 HB VAL 13 HB VAL 13 6.615 -11.795 -6.014 103 HG11 VAL 13 1HG1 VAL 13 7.477 -9.048 -6.913 104 HG12 VAL 13 2HG1 VAL 13 5.893 -9.507 -6.284 105 HG13 VAL 13 3HG1 VAL 13 6.441 -10.137 -7.837 106 HG21 VAL 13 3HG2 VAL 13 8.898 -12.502 -6.486 107 HG22 VAL 13 1HG2 VAL 13 9.279 -10.896 -7.106 108 HG23 VAL 13 2HG2 VAL 13 8.110 -11.912 -7.949 109 H THR 14 H THR 14 10.331 -11.021 -4.260 110 HA THR 14 HA THR 14 9.859 -13.449 -2.682 111 HB THR 14 HB THR 14 12.438 -13.713 -3.292 112 HG1 THR 14 HG1 THR 14 12.931 -12.231 -4.731 113 HG21 THR 14 3HG2 THR 14 10.195 -14.506 -5.152 114 HG22 THR 14 1HG2 THR 14 10.715 -15.397 -3.720 115 HG23 THR 14 2HG2 THR 14 11.799 -15.239 -5.103 116 H VAL 15 H VAL 15 11.226 -13.685 -0.788 117 HA VAL 15 HA VAL 15 12.523 -11.218 0.123 118 HB VAL 15 HB VAL 15 11.286 -11.439 2.330 119 HG11 VAL 15 1HG1 VAL 15 9.318 -10.207 1.539 120 HG12 VAL 15 2HG1 VAL 15 9.688 -10.690 -0.117 121 HG13 VAL 15 3HG1 VAL 15 10.799 -9.643 0.766 122 HG21 VAL 15 3HG2 VAL 15 9.453 -13.137 0.638 123 HG22 VAL 15 1HG2 VAL 15 9.085 -12.531 2.253 124 HG23 VAL 15 2HG2 VAL 15 10.400 -13.682 2.022 125 H VAL 16 H VAL 16 13.839 -11.482 2.009 126 HA VAL 16 HA VAL 16 14.802 -14.225 2.284 127 HB VAL 16 HB VAL 16 16.819 -13.027 3.316 128 HG11 VAL 16 1HG1 VAL 16 16.886 -14.110 1.141 129 HG12 VAL 16 2HG1 VAL 16 17.804 -12.605 1.106 130 HG13 VAL 16 3HG1 VAL 16 16.192 -12.672 0.391 131 HG21 VAL 16 3HG2 VAL 16 15.557 -10.692 1.893 132 HG22 VAL 16 1HG2 VAL 16 17.186 -10.724 2.567 133 HG23 VAL 16 2HG2 VAL 16 15.787 -10.843 3.634 134 HA PRO 17 HA PRO 17 13.340 -14.073 6.518 135 HB2 PRO 17 1HB PRO 17 14.614 -16.642 6.907 136 HB3 PRO 17 2HB PRO 17 12.893 -16.274 6.800 137 HG2 PRO 17 1HG PRO 17 14.269 -17.694 4.909 138 HG3 PRO 17 2HG PRO 17 12.800 -16.760 4.573 139 HD2 PRO 17 1HD PRO 17 15.662 -16.045 4.072 140 HD3 PRO 17 2HD PRO 17 14.227 -15.743 3.069 141 H ASN 18 H ASN 18 14.347 -14.450 8.685 142 HA ASN 18 HA ASN 18 15.976 -14.245 10.260 143 HB2 ASN 18 1HB ASN 18 17.921 -14.636 7.972 144 HB3 ASN 18 2HB ASN 18 18.372 -14.559 9.671 145 HD21 ASN 18 2HD2 ASN 18 16.883 -16.434 7.180 146 HD22 ASN 18 1HD2 ASN 18 16.822 -17.926 8.050 147 H THR 19 H THR 19 14.922 -12.014 8.504 148 HA THR 19 HA THR 19 16.440 -9.926 9.695 149 HB THR 19 HB THR 19 17.962 -10.500 7.809 150 HG1 THR 19 HG1 THR 19 18.373 -8.438 8.023 151 HG21 THR 19 3HG2 THR 19 15.655 -9.606 6.077 152 HG22 THR 19 1HG2 THR 19 16.295 -11.246 6.186 153 HG23 THR 19 2HG2 THR 19 17.291 -9.953 5.516 154 H VAL 20 H VAL 20 15.736 -7.741 8.386 155 HA VAL 20 HA VAL 20 12.799 -7.876 8.305 156 HB VAL 20 HB VAL 20 14.586 -5.461 8.687 157 HG11 VAL 20 1HG1 VAL 20 12.510 -4.289 9.284 158 HG12 VAL 20 2HG1 VAL 20 11.585 -5.732 8.864 159 HG13 VAL 20 3HG1 VAL 20 12.485 -4.867 7.618 160 HG21 VAL 20 3HG2 VAL 20 13.786 -5.479 11.002 161 HG22 VAL 20 1HG2 VAL 20 14.668 -6.954 10.607 162 HG23 VAL 20 2HG2 VAL 20 12.906 -6.975 10.685 163 H ASN 21 H ASN 21 11.707 -7.315 6.498 164 HA ASN 21 HA ASN 21 13.358 -6.746 4.132 165 HB2 ASN 21 1HB ASN 21 10.728 -8.198 4.431 166 HB3 ASN 21 2HB ASN 21 11.331 -7.659 2.869 167 HD21 ASN 21 2HD2 ASN 21 11.862 -9.812 5.555 168 HD22 ASN 21 1HD2 ASN 21 12.963 -10.874 4.745 169 H THR 22 H THR 22 12.979 -5.003 2.917 170 HA THR 22 HA THR 22 10.965 -3.122 3.894 171 HB THR 22 HB THR 22 13.126 -2.616 1.839 172 HG1 THR 22 HG1 THR 22 13.492 -3.210 4.355 173 HG21 THR 22 3HG2 THR 22 11.304 -0.976 1.877 174 HG22 THR 22 1HG2 THR 22 12.800 -0.270 2.492 175 HG23 THR 22 2HG2 THR 22 11.529 -0.759 3.614 176 H MET 23 H MET 23 9.064 -3.707 3.025 177 HA MET 23 HA MET 23 8.933 -4.608 0.262 178 HB2 MET 23 1HB MET 23 6.743 -4.392 2.337 179 HB3 MET 23 2HB MET 23 6.615 -5.191 0.775 180 HG2 MET 23 1HG MET 23 8.423 -6.008 3.038 181 HG3 MET 23 2HG MET 23 6.919 -6.799 2.571 182 HE1 MET 23 3HE MET 23 6.596 -8.169 0.342 183 HE2 MET 23 1HE MET 23 7.818 -8.271 -0.928 184 HE3 MET 23 2HE MET 23 7.044 -6.728 -0.571 185 H THR 24 H THR 24 8.662 -3.209 -1.305 186 HA THR 24 HA THR 24 7.599 -0.556 -0.728 187 HB THR 24 HB THR 24 8.811 -1.595 -3.298 188 HG1 THR 24 HG1 THR 24 10.009 -0.307 -1.037 189 HG21 THR 24 3HG2 THR 24 9.187 0.783 -3.777 190 HG22 THR 24 1HG2 THR 24 8.366 1.212 -2.276 191 HG23 THR 24 2HG2 THR 24 7.472 0.426 -3.577 192 H ALA 25 H ALA 25 5.440 -0.395 -0.856 193 HA ALA 25 HA ALA 25 4.012 -1.802 -2.991 194 HB1 ALA 25 3HB ALA 25 2.938 -0.239 -0.644 195 HB2 ALA 25 1HB ALA 25 3.103 -1.992 -0.723 196 HB3 ALA 25 2HB ALA 25 1.980 -1.162 -1.802 197 H THR 26 H THR 26 3.635 -0.765 -4.808 198 HA THR 26 HA THR 26 4.054 2.086 -5.013 199 HB THR 26 HB THR 26 3.082 0.256 -7.209 200 HG1 THR 26 HG1 THR 26 5.730 0.665 -6.231 201 HG21 THR 26 3HG2 THR 26 4.273 1.841 -8.651 202 HG22 THR 26 1HG2 THR 26 4.755 2.773 -7.234 203 HG23 THR 26 2HG2 THR 26 3.052 2.662 -7.678 204 H ILE 27 H ILE 27 2.415 3.379 -4.358 205 HA ILE 27 HA ILE 27 -0.342 2.530 -4.975 206 HB ILE 27 HB ILE 27 0.470 4.661 -2.995 207 HG12 ILE 27 1HG1 ILE 27 1.397 2.554 -2.219 208 HG13 ILE 27 2HG1 ILE 27 0.008 2.983 -1.229 209 HG21 ILE 27 1HG2 ILE 27 -1.803 4.859 -3.816 210 HG22 ILE 27 2HG2 ILE 27 -1.807 4.339 -2.130 211 HG23 ILE 27 3HG2 ILE 27 -2.117 3.170 -3.414 212 HD11 ILE 27 3HD1 ILE 27 0.099 0.597 -1.761 213 HD12 ILE 27 1HD1 ILE 27 -0.015 0.983 -3.478 214 HD13 ILE 27 2HD1 ILE 27 -1.357 1.366 -2.398 215 H GLU 28 H GLU 28 -1.291 3.556 -6.611 216 HA GLU 28 HA GLU 28 -0.256 6.218 -7.347 217 HB2 GLU 28 1HB GLU 28 0.293 4.368 -8.943 218 HB3 GLU 28 2HB GLU 28 -1.430 4.146 -9.208 219 HG2 GLU 28 1HG GLU 28 -1.629 6.313 -10.176 220 HG3 GLU 28 2HG GLU 28 0.029 6.719 -9.735 221 H ASN 29 H ASN 29 -1.685 7.847 -7.510 222 HA ASN 29 HA ASN 29 -4.507 7.239 -7.024 223 HB2 ASN 29 1HB ASN 29 -3.504 8.920 -5.570 224 HB3 ASN 29 2HB ASN 29 -3.001 9.865 -6.967 225 HD21 ASN 29 2HD2 ASN 29 -4.137 11.622 -6.073 226 HD22 ASN 29 1HD2 ASN 29 -5.862 11.744 -6.219 227 H GLN 30 H GLN 30 -5.505 6.735 -8.856 228 HA GLN 30 HA GLN 30 -4.819 8.212 -11.310 229 HB2 GLN 30 1HB GLN 30 -6.289 5.581 -11.059 230 HB3 GLN 30 2HB GLN 30 -5.614 6.288 -12.522 231 HG2 GLN 30 1HG GLN 30 -3.382 5.945 -11.738 232 HG3 GLN 30 2HG GLN 30 -3.965 5.430 -10.156 233 HE21 GLN 30 2HE2 GLN 30 -2.249 4.028 -12.010 234 HE22 GLN 30 1HE2 GLN 30 -3.050 2.524 -12.363 235 H GLY 31 H GLY 31 -6.398 9.733 -9.802 236 HA2 GLY 31 1HA GLY 31 -9.036 9.475 -11.053 237 HA3 GLY 31 2HA GLY 31 -8.956 9.532 -9.300 238 H ASN 32 H ASN 32 -10.469 11.365 -10.124 239 HA ASN 32 HA ASN 32 -9.068 13.723 -11.108 240 HB2 ASN 32 1HB ASN 32 -11.234 12.935 -12.076 241 HB3 ASN 32 2HB ASN 32 -12.013 13.306 -10.546 242 HD21 ASN 32 2HD2 ASN 32 -9.493 15.259 -12.019 243 HD22 ASN 32 1HD2 ASN 32 -10.501 16.620 -12.357 244 H LYS 33 H LYS 33 -8.652 12.796 -8.308 245 HA LYS 33 HA LYS 33 -9.013 15.393 -7.101 246 HB2 LYS 33 1HB LYS 33 -11.128 14.247 -6.539 247 HB3 LYS 33 2HB LYS 33 -10.213 12.952 -5.777 248 HG2 LYS 33 1HG LYS 33 -9.335 14.525 -4.136 249 HG3 LYS 33 2HG LYS 33 -10.226 15.837 -4.909 250 HD2 LYS 33 1HD LYS 33 -12.332 14.636 -4.428 251 HD3 LYS 33 2HD LYS 33 -11.403 13.400 -3.577 252 HE2 LYS 33 1HE LYS 33 -10.613 15.064 -1.989 253 HE3 LYS 33 2HE LYS 33 -11.482 16.329 -2.858 254 HZ1 LYS 33 3HZ LYS 33 -12.696 14.011 -1.445 255 HZ2 LYS 33 1HZ LYS 33 -13.561 15.161 -2.347 256 HZ3 LYS 33 2HZ LYS 33 -12.735 15.636 -0.945 257 H ASP 34 H ASP 34 -7.532 15.850 -5.546 258 HA ASP 34 HA ASP 34 -5.309 14.034 -5.222 259 HB2 ASP 34 1HB ASP 34 -5.828 16.695 -3.862 260 HB3 ASP 34 2HB ASP 34 -4.294 15.835 -3.909 261 H SER 35 H SER 35 -4.707 12.988 -3.285 262 HA SER 35 HA SER 35 -6.947 12.723 -1.405 263 HB2 SER 35 1HB SER 35 -5.865 10.537 -0.781 264 HB3 SER 35 2HB SER 35 -6.461 10.623 -2.437 265 HG SER 35 HG SER 35 -4.046 11.433 -2.664 266 H THR 36 H THR 36 -6.688 12.914 0.762 267 HA THR 36 HA THR 36 -4.397 14.437 1.651 268 HB THR 36 HB THR 36 -5.782 14.425 3.839 269 HG1 THR 36 HG1 THR 36 -7.647 13.404 3.788 270 HG21 THR 36 3HG2 THR 36 -5.654 16.349 2.331 271 HG22 THR 36 1HG2 THR 36 -7.282 16.167 2.986 272 HG23 THR 36 2HG2 THR 36 -6.934 15.657 1.334 273 H SER 37 H SER 37 -4.240 13.704 4.323 274 HA SER 37 HA SER 37 -2.444 11.575 4.291 275 HB2 SER 37 1HB SER 37 -3.970 12.601 6.693 276 HB3 SER 37 2HB SER 37 -2.396 11.802 6.688 277 HG SER 37 HG SER 37 -1.924 13.723 5.146 278 H PHE 38 H PHE 38 -2.801 9.487 4.079 279 HA PHE 38 HA PHE 38 -5.088 8.273 5.449 280 HB2 PHE 38 1HB PHE 38 -5.622 6.862 3.554 281 HB3 PHE 38 2HB PHE 38 -5.674 8.541 3.030 282 HD1 PHE 38 HD1 PHE 38 -3.630 9.460 1.797 283 HD2 PHE 38 HD2 PHE 38 -4.286 5.296 2.436 284 HE1 PHE 38 HE1 PHE 38 -2.064 8.927 -0.027 285 HE2 PHE 38 HE2 PHE 38 -2.735 4.778 0.611 286 HZ PHE 38 HZ PHE 38 -1.607 6.570 -0.601 287 H ASN 39 H ASN 39 -4.730 6.038 6.006 288 HA ASN 39 HA ASN 39 -1.878 5.456 6.243 289 HB2 ASN 39 1HB ASN 39 -4.280 4.270 7.640 290 HB3 ASN 39 2HB ASN 39 -2.650 3.627 7.813 291 HD21 ASN 39 2HD2 ASN 39 -4.883 6.000 8.801 292 HD22 ASN 39 1HD2 ASN 39 -3.836 6.851 9.901 293 H VAL 40 H VAL 40 -0.896 3.779 5.308 294 HA VAL 40 HA VAL 40 -2.587 1.849 3.879 295 HB VAL 40 HB VAL 40 -0.100 3.256 2.971 296 HG11 VAL 40 1HG1 VAL 40 0.399 1.486 1.368 297 HG12 VAL 40 2HG1 VAL 40 -0.835 0.459 2.099 298 HG13 VAL 40 3HG1 VAL 40 0.603 0.901 3.020 299 HG21 VAL 40 3HG2 VAL 40 -2.482 2.140 1.510 300 HG22 VAL 40 1HG2 VAL 40 -1.264 3.246 0.875 301 HG23 VAL 40 2HG2 VAL 40 -2.364 3.779 2.150 302 H SER 41 H SER 41 -2.575 -0.030 4.840 303 HA SER 41 HA SER 41 -0.314 -0.703 6.595 304 HB2 SER 41 1HB SER 41 -2.007 -2.161 7.768 305 HB3 SER 41 2HB SER 41 -2.350 -0.433 7.848 306 HG SER 41 HG SER 41 -3.441 -1.976 5.770 307 H LEU 42 H LEU 42 0.713 -2.632 6.410 308 HA LEU 42 HA LEU 42 -0.008 -4.289 4.109 309 HB2 LEU 42 1HB LEU 42 2.325 -3.529 4.308 310 HB3 LEU 42 2HB LEU 42 2.453 -4.339 5.858 311 HG LEU 42 HG LEU 42 2.036 -6.509 4.706 312 HD11 LEU 42 1HD1 LEU 42 2.314 -4.844 2.208 313 HD12 LEU 42 2HD1 LEU 42 0.851 -5.663 2.757 314 HD13 LEU 42 3HD1 LEU 42 2.262 -6.606 2.276 315 HD21 LEU 42 3HD2 LEU 42 4.394 -4.915 3.713 316 HD22 LEU 42 1HD2 LEU 42 4.261 -6.672 3.706 317 HD23 LEU 42 2HD2 LEU 42 4.299 -5.799 5.237 318 H LEU 43 H LEU 43 -1.291 -5.952 4.463 319 HA LEU 43 HA LEU 43 -1.303 -7.225 7.097 320 HB2 LEU 43 1HB LEU 43 -3.153 -7.582 4.739 321 HB3 LEU 43 2HB LEU 43 -3.304 -8.429 6.266 322 HG LEU 43 HG LEU 43 -3.410 -5.987 7.240 323 HD11 LEU 43 1HD1 LEU 43 -4.381 -5.599 4.425 324 HD12 LEU 43 2HD1 LEU 43 -2.966 -4.845 5.158 325 HD13 LEU 43 3HD1 LEU 43 -4.579 -4.455 5.752 326 HD21 LEU 43 3HD2 LEU 43 -5.841 -6.102 7.105 327 HD22 LEU 43 1HD2 LEU 43 -5.147 -7.692 7.433 328 HD23 LEU 43 2HD2 LEU 43 -5.718 -7.295 5.811 329 H VAL 44 H VAL 44 -0.379 -9.108 7.445 330 HA VAL 44 HA VAL 44 0.542 -10.669 5.132 331 HB VAL 44 HB VAL 44 1.509 -10.717 7.998 332 HG11 VAL 44 1HG1 VAL 44 1.659 -12.922 6.983 333 HG12 VAL 44 2HG1 VAL 44 3.263 -12.217 7.181 334 HG13 VAL 44 3HG1 VAL 44 2.498 -12.239 5.591 335 HG21 VAL 44 3HG2 VAL 44 2.201 -8.715 6.793 336 HG22 VAL 44 1HG2 VAL 44 2.831 -9.711 5.480 337 HG23 VAL 44 2HG2 VAL 44 3.577 -9.781 7.077 338 H ASP 45 H ASP 45 -1.192 -11.872 4.669 339 HA ASP 45 HA ASP 45 -2.539 -13.668 4.692 340 HB2 ASP 45 1HB ASP 45 -0.922 -14.330 7.125 341 HB3 ASP 45 2HB ASP 45 -2.288 -15.335 6.646 342 H GLY 46 H GLY 46 -2.390 -12.324 7.970 343 HA2 GLY 46 1HA GLY 46 -5.151 -11.550 7.818 344 HA3 GLY 46 2HA GLY 46 -4.906 -12.935 8.869 345 H ILE 47 H ILE 47 -2.270 -10.753 8.771 346 HA ILE 47 HA ILE 47 -3.232 -9.335 11.161 347 HB ILE 47 HB ILE 47 -0.414 -10.377 11.038 348 HG12 ILE 47 1HG1 ILE 47 -2.734 -11.749 12.420 349 HG13 ILE 47 2HG1 ILE 47 -1.967 -12.323 10.943 350 HG21 ILE 47 1HG2 ILE 47 -0.853 -8.553 12.572 351 HG22 ILE 47 2HG2 ILE 47 -0.499 -10.033 13.463 352 HG23 ILE 47 3HG2 ILE 47 -2.164 -9.470 13.315 353 HD11 ILE 47 3HD1 ILE 47 -1.175 -13.551 12.873 354 HD12 ILE 47 1HD1 ILE 47 -0.642 -12.050 13.629 355 HD13 ILE 47 2HD1 ILE 47 0.133 -12.614 12.150 356 H VAL 48 H VAL 48 -2.179 -7.314 11.510 357 HA VAL 48 HA VAL 48 -0.931 -6.224 9.086 358 HB VAL 48 HB VAL 48 -1.974 -4.740 11.510 359 HG11 VAL 48 1HG1 VAL 48 -0.240 -3.517 10.330 360 HG12 VAL 48 2HG1 VAL 48 -1.812 -2.759 10.078 361 HG13 VAL 48 3HG1 VAL 48 -1.094 -3.744 8.804 362 HG21 VAL 48 3HG2 VAL 48 -3.243 -5.107 8.801 363 HG22 VAL 48 1HG2 VAL 48 -3.875 -4.122 10.118 364 HG23 VAL 48 2HG2 VAL 48 -3.773 -5.874 10.297 365 H VAL 49 H VAL 49 1.227 -6.395 9.087 366 HA VAL 49 HA VAL 49 2.687 -6.634 11.552 367 HB VAL 49 HB VAL 49 4.717 -6.743 10.092 368 HG11 VAL 49 1HG1 VAL 49 2.455 -8.618 9.421 369 HG12 VAL 49 2HG1 VAL 49 3.552 -8.754 10.795 370 HG13 VAL 49 3HG1 VAL 49 4.167 -8.940 9.152 371 HG21 VAL 49 3HG2 VAL 49 3.932 -5.388 8.226 372 HG22 VAL 49 1HG2 VAL 49 2.691 -6.587 7.859 373 HG23 VAL 49 2HG2 VAL 49 4.397 -6.997 7.672 374 H ASP 50 H ASP 50 2.276 -4.134 9.100 375 HA ASP 50 HA ASP 50 3.123 -2.123 10.970 376 HB2 ASP 50 1HB ASP 50 5.299 -2.935 10.009 377 HB3 ASP 50 2HB ASP 50 4.728 -2.431 8.421 378 H THR 51 H THR 51 2.256 -0.171 10.503 379 HA THR 51 HA THR 51 0.777 0.052 7.960 380 HB THR 51 HB THR 51 0.106 1.391 10.590 381 HG1 THR 51 HG1 THR 51 -0.272 -0.832 10.771 382 HG21 THR 51 3HG2 THR 51 -2.038 1.887 9.493 383 HG22 THR 51 1HG2 THR 51 -1.441 1.152 8.005 384 HG23 THR 51 2HG2 THR 51 -0.684 2.616 8.632 385 H GLN 52 H GLN 52 1.516 1.596 6.639 386 HA GLN 52 HA GLN 52 3.186 3.708 7.814 387 HB2 GLN 52 1HB GLN 52 4.333 2.378 6.119 388 HB3 GLN 52 2HB GLN 52 3.047 2.707 4.962 389 HG2 GLN 52 1HG GLN 52 3.590 5.133 5.181 390 HG3 GLN 52 2HG GLN 52 4.984 4.662 6.150 391 HE21 GLN 52 2HE2 GLN 52 4.577 5.964 3.455 392 HE22 GLN 52 1HE2 GLN 52 5.630 5.083 2.408 393 H THR 53 H THR 53 2.336 5.653 7.975 394 HA THR 53 HA THR 53 -0.150 6.326 6.699 395 HB THR 53 HB THR 53 1.661 8.227 8.184 396 HG1 THR 53 HG1 THR 53 -0.301 6.479 9.313 397 HG21 THR 53 3HG2 THR 53 -0.457 9.309 8.788 398 HG22 THR 53 1HG2 THR 53 -1.342 8.090 7.871 399 HG23 THR 53 2HG2 THR 53 -0.268 9.212 7.038 400 H VAL 54 H VAL 54 -0.373 7.328 4.775 401 HA VAL 54 HA VAL 54 1.990 8.600 3.587 402 HB VAL 54 HB VAL 54 -0.690 8.023 2.298 403 HG11 VAL 54 1HG1 VAL 54 0.475 9.900 1.273 404 HG12 VAL 54 2HG1 VAL 54 0.474 8.505 0.194 405 HG13 VAL 54 3HG1 VAL 54 1.931 8.918 1.099 406 HG21 VAL 54 3HG2 VAL 54 1.927 6.536 2.051 407 HG22 VAL 54 1HG2 VAL 54 0.471 6.216 1.109 408 HG23 VAL 54 2HG2 VAL 54 0.470 5.949 2.853 409 H THR 55 H THR 55 2.200 10.730 3.741 410 HA THR 55 HA THR 55 0.400 12.259 5.253 411 HB THR 55 HB THR 55 2.540 13.323 3.402 412 HG1 THR 55 HG1 THR 55 3.932 13.050 5.175 413 HG21 THR 55 3HG2 THR 55 2.646 15.167 5.024 414 HG22 THR 55 1HG2 THR 55 1.319 14.444 5.931 415 HG23 THR 55 2HG2 THR 55 1.045 15.042 4.295 416 H SER 56 H SER 56 0.844 11.993 1.754 417 HA SER 56 HA SER 56 -1.800 12.683 1.161 418 HB2 SER 56 1HB SER 56 -1.040 14.958 1.889 419 HB3 SER 56 2HB SER 56 0.154 14.934 0.594 420 HG SER 56 HG SER 56 -2.514 14.426 -0.079 421 H LEU 57 H LEU 57 -2.244 12.044 -0.886 422 HA LEU 57 HA LEU 57 0.049 11.668 -2.689 423 HB2 LEU 57 1HB LEU 57 -0.881 9.530 -1.872 424 HB3 LEU 57 2HB LEU 57 -2.443 9.970 -2.535 425 HG LEU 57 HG LEU 57 -1.516 9.925 -4.802 426 HD11 LEU 57 1HD1 LEU 57 1.051 9.078 -3.464 427 HD12 LEU 57 2HD1 LEU 57 0.764 10.621 -4.270 428 HD13 LEU 57 3HD1 LEU 57 0.755 9.122 -5.202 429 HD21 LEU 57 3HD2 LEU 57 -1.104 7.517 -4.960 430 HD22 LEU 57 1HD2 LEU 57 -2.455 7.874 -3.884 431 HD23 LEU 57 2HD2 LEU 57 -0.882 7.441 -3.212 432 H GLU 58 H GLU 58 -0.013 13.071 -4.259 433 HA GLU 58 HA GLU 58 -2.292 14.648 -4.857 434 HB2 GLU 58 1HB GLU 58 0.259 14.302 -6.444 435 HB3 GLU 58 2HB GLU 58 -0.898 15.615 -6.621 436 HG2 GLU 58 1HG GLU 58 -0.400 16.416 -4.404 437 HG3 GLU 58 2HG GLU 58 0.659 15.036 -4.112 438 H SER 59 H SER 59 -3.387 14.817 -6.898 439 HA SER 59 HA SER 59 -4.278 12.333 -7.904 440 HB2 SER 59 1HB SER 59 -5.388 13.811 -9.674 441 HB3 SER 59 2HB SER 59 -5.817 14.132 -7.996 442 HG SER 59 HG SER 59 -4.336 15.863 -8.005 443 H GLU 60 H GLU 60 -3.582 11.099 -9.505 444 HA GLU 60 HA GLU 60 -2.436 10.306 -11.275 445 HB2 GLU 60 1HB GLU 60 -2.057 13.232 -11.934 446 HB3 GLU 60 2HB GLU 60 -1.611 11.902 -12.999 447 HG2 GLU 60 1HG GLU 60 -3.859 11.235 -13.274 448 HG3 GLU 60 2HG GLU 60 -4.401 12.266 -11.953 449 H ASN 61 H ASN 61 -1.245 11.075 -8.660 450 HA ASN 61 HA ASN 61 1.588 10.919 -9.475 451 HB2 ASN 61 1HB ASN 61 0.762 12.931 -8.040 452 HB3 ASN 61 2HB ASN 61 0.665 11.762 -6.729 453 HD21 ASN 61 2HD2 ASN 61 2.328 14.057 -6.796 454 HD22 ASN 61 1HD2 ASN 61 3.967 13.517 -6.761 455 H SER 62 H SER 62 2.889 9.409 -8.260 456 HA SER 62 HA SER 62 1.344 7.438 -6.720 457 HB2 SER 62 1HB SER 62 1.872 6.577 -9.011 458 HB3 SER 62 2HB SER 62 3.585 6.761 -8.637 459 HG SER 62 HG SER 62 1.948 5.286 -6.899 460 H THR 63 H THR 63 2.360 6.587 -4.951 461 HA THR 63 HA THR 63 5.044 7.624 -4.358 462 HB THR 63 HB THR 63 3.340 8.872 -3.048 463 HG1 THR 63 HG1 THR 63 5.170 8.853 -1.919 464 HG21 THR 63 3HG2 THR 63 1.662 7.095 -2.827 465 HG22 THR 63 1HG2 THR 63 2.113 7.758 -1.253 466 HG23 THR 63 2HG2 THR 63 2.754 6.197 -1.772 467 H ASN 64 H ASN 64 6.363 6.276 -3.076 468 HA ASN 64 HA ASN 64 5.641 3.455 -3.336 469 HB2 ASN 64 1HB ASN 64 8.324 4.797 -2.939 470 HB3 ASN 64 2HB ASN 64 8.094 3.051 -2.958 471 HD21 ASN 64 2HD2 ASN 64 9.682 4.708 -4.740 472 HD22 ASN 64 1HD2 ASN 64 9.062 4.433 -6.333 473 H VAL 65 H VAL 65 5.009 2.371 -1.643 474 HA VAL 65 HA VAL 65 5.372 3.533 1.023 475 HB VAL 65 HB VAL 65 3.585 1.240 0.205 476 HG11 VAL 65 1HG1 VAL 65 4.045 1.347 2.590 477 HG12 VAL 65 2HG1 VAL 65 2.368 1.780 2.257 478 HG13 VAL 65 3HG1 VAL 65 3.547 3.039 2.620 479 HG21 VAL 65 3HG2 VAL 65 2.985 4.189 0.325 480 HG22 VAL 65 1HG2 VAL 65 1.758 2.925 0.218 481 HG23 VAL 65 2HG2 VAL 65 2.923 3.134 -1.090 482 H ASP 66 H ASP 66 7.183 2.818 1.994 483 HA ASP 66 HA ASP 66 8.038 0.048 1.571 484 HB2 ASP 66 1HB ASP 66 9.484 2.436 2.725 485 HB3 ASP 66 2HB ASP 66 10.153 0.808 2.702 486 H PHE 67 H PHE 67 7.291 -1.362 2.989 487 HA PHE 67 HA PHE 67 6.462 -0.453 5.634 488 HB2 PHE 67 1HB PHE 67 6.194 -3.166 4.317 489 HB3 PHE 67 2HB PHE 67 5.501 -2.716 5.869 490 HD1 PHE 67 HD1 PHE 67 3.831 -0.764 5.871 491 HD2 PHE 67 HD2 PHE 67 4.994 -2.894 2.375 492 HE1 PHE 67 HE1 PHE 67 1.769 -0.044 4.751 493 HE2 PHE 67 HE2 PHE 67 2.935 -2.167 1.244 494 HZ PHE 67 HZ PHE 67 1.319 -0.743 2.431 495 H HIS 68 H HIS 68 6.983 -1.764 7.532 496 HA HIS 68 HA HIS 68 9.751 -2.767 7.454 497 HB2 HIS 68 1HB HIS 68 8.102 -1.913 9.851 498 HB3 HIS 68 2HB HIS 68 9.811 -2.336 9.856 499 HD1 HIS 68 HD1 HIS 68 7.445 0.419 8.983 500 HD2 HIS 68 HD2 HIS 68 11.536 -0.342 8.883 501 HE1 HIS 68 HE1 HIS 68 8.544 2.645 8.553 502 HE2 HIS 68 HE2 HIS 68 11.022 2.164 8.512 503 H TRP 69 H TRP 69 9.449 -4.858 6.841 504 HA TRP 69 HA TRP 69 7.584 -6.489 8.426 505 HB2 TRP 69 1HB TRP 69 7.146 -6.490 6.021 506 HB3 TRP 69 2HB TRP 69 8.803 -6.972 5.695 507 HD1 TRP 69 HD1 TRP 69 7.237 -8.840 8.551 508 HE1 TRP 69 HE1 TRP 69 6.637 -11.222 7.812 509 HE3 TRP 69 HE3 TRP 69 7.959 -8.327 3.521 510 HZ2 TRP 69 HZ2 TRP 69 6.487 -12.694 5.415 511 HZ3 TRP 69 HZ3 TRP 69 7.569 -10.273 2.077 512 HH2 TRP 69 HH2 TRP 69 6.850 -12.413 3.004 513 H THR 70 H THR 70 8.815 -7.100 10.187 514 HA THR 70 HA THR 70 11.445 -8.191 9.862 515 HB THR 70 HB THR 70 10.731 -7.226 12.039 516 HG1 THR 70 HG1 THR 70 11.196 -9.905 12.671 517 HG21 THR 70 3HG2 THR 70 9.270 -8.484 13.533 518 HG22 THR 70 1HG2 THR 70 8.990 -9.687 12.272 519 HG23 THR 70 2HG2 THR 70 8.406 -8.033 12.063 520 H LEU 71 H LEU 71 11.946 -10.177 9.160 521 HA LEU 71 HA LEU 71 9.728 -12.099 9.028 522 HB2 LEU 71 1HB LEU 71 10.236 -11.042 6.854 523 HB3 LEU 71 2HB LEU 71 11.865 -11.684 6.950 524 HG LEU 71 HG LEU 71 11.092 -13.926 6.725 525 HD11 LEU 71 1HD1 LEU 71 9.115 -13.761 8.158 526 HD12 LEU 71 2HD1 LEU 71 8.720 -14.493 6.602 527 HD13 LEU 71 3HD1 LEU 71 8.297 -12.810 6.919 528 HD21 LEU 71 3HD2 LEU 71 9.575 -12.110 4.866 529 HD22 LEU 71 1HD2 LEU 71 9.920 -13.817 4.578 530 HD23 LEU 71 2HD2 LEU 71 11.244 -12.654 4.665 531 H ASP 72 H ASP 72 10.313 -13.259 10.766 532 HA ASP 72 HA ASP 72 12.822 -14.414 11.248 533 HB2 ASP 72 1HB ASP 72 10.015 -15.267 11.970 534 HB3 ASP 72 2HB ASP 72 11.443 -16.134 12.533 535 H GLY 73 H GLY 73 9.919 -15.940 9.844 536 HA2 GLY 73 1HA GLY 73 10.356 -16.970 7.581 537 HA3 GLY 73 2HA GLY 73 11.723 -17.746 8.366 538 H THR 74 H THR 74 8.200 -17.382 8.776 539 HA THR 74 HA THR 74 7.960 -19.872 10.178 540 HB THR 74 HB THR 74 5.778 -18.217 8.894 541 HG1 THR 74 HG1 THR 74 6.503 -18.165 11.642 542 HG21 THR 74 3HG2 THR 74 5.073 -20.484 9.473 543 HG22 THR 74 1HG2 THR 74 4.319 -19.301 10.541 544 HG23 THR 74 2HG2 THR 74 5.681 -20.264 11.114 545 H ALA 75 H ALA 75 6.420 -18.840 7.157 546 HA ALA 75 HA ALA 75 6.656 -21.598 6.160 547 HB1 ALA 75 3HB ALA 75 4.758 -21.087 4.715 548 HB2 ALA 75 1HB ALA 75 4.722 -19.435 5.330 549 HB3 ALA 75 2HB ALA 75 4.356 -20.784 6.405 550 H ASN 76 H ASN 76 6.340 -21.322 3.516 551 HA ASN 76 HA ASN 76 8.776 -19.897 2.730 552 HB2 ASN 76 1HB ASN 76 7.122 -21.947 1.236 553 HB3 ASN 76 2HB ASN 76 8.608 -21.217 0.636 554 HD21 ASN 76 2HD2 ASN 76 7.214 -23.438 2.910 555 HD22 ASN 76 1HD2 ASN 76 8.701 -24.210 3.373 556 H SER 77 H SER 77 5.380 -19.622 2.527 557 HA SER 77 HA SER 77 5.674 -17.416 0.613 558 HB2 SER 77 1HB SER 77 3.408 -19.422 0.588 559 HB3 SER 77 2HB SER 77 3.610 -18.055 -0.507 560 HG SER 77 HG SER 77 5.782 -19.202 -0.904 561 H TYR 78 H TYR 78 4.665 -15.596 1.174 562 HA TYR 78 HA TYR 78 2.796 -15.699 3.452 563 HB2 TYR 78 1HB TYR 78 4.950 -13.708 2.773 564 HB3 TYR 78 2HB TYR 78 3.618 -13.297 3.848 565 HD1 TYR 78 HD1 TYR 78 6.447 -15.682 3.420 566 HD2 TYR 78 HD2 TYR 78 3.677 -13.881 6.093 567 HE1 TYR 78 HE1 TYR 78 7.663 -16.647 5.327 568 HE2 TYR 78 HE2 TYR 78 4.880 -14.833 8.000 569 HH TYR 78 HH TYR 78 6.376 -16.589 8.530 570 H THR 79 H THR 79 0.988 -14.388 3.396 571 HA THR 79 HA THR 79 0.241 -13.507 0.701 572 HB THR 79 HB THR 79 -1.579 -13.691 3.100 573 HG1 THR 79 HG1 THR 79 -0.984 -15.769 2.946 574 HG21 THR 79 3HG2 THR 79 -2.436 -12.445 1.170 575 HG22 THR 79 1HG2 THR 79 -3.323 -13.952 1.399 576 HG23 THR 79 2HG2 THR 79 -2.107 -13.830 0.128 577 H LEU 80 H LEU 80 1.224 -11.483 0.545 578 HA LEU 80 HA LEU 80 0.797 -9.588 2.711 579 HB2 LEU 80 1HB LEU 80 2.688 -9.813 0.469 580 HB3 LEU 80 2HB LEU 80 2.197 -8.181 0.885 581 HG LEU 80 HG LEU 80 2.959 -8.525 3.189 582 HD11 LEU 80 1HD1 LEU 80 2.570 -10.918 3.385 583 HD12 LEU 80 2HD1 LEU 80 4.237 -10.517 3.798 584 HD13 LEU 80 3HD1 LEU 80 3.864 -11.236 2.229 585 HD21 LEU 80 3HD2 LEU 80 4.511 -7.596 1.587 586 HD22 LEU 80 1HD2 LEU 80 5.011 -9.216 1.097 587 HD23 LEU 80 2HD2 LEU 80 5.364 -8.638 2.725 588 H THR 81 H THR 81 -0.932 -8.423 2.737 589 HA THR 81 HA THR 81 -2.160 -7.614 0.181 590 HB THR 81 HB THR 81 -3.596 -7.926 2.822 591 HG1 THR 81 HG1 THR 81 -2.597 -9.900 1.651 592 HG21 THR 81 3HG2 THR 81 -5.601 -7.971 1.404 593 HG22 THR 81 1HG2 THR 81 -4.594 -7.744 -0.027 594 HG23 THR 81 2HG2 THR 81 -4.698 -6.471 1.191 595 H VAL 82 H VAL 82 -2.019 -5.511 -0.208 596 HA VAL 82 HA VAL 82 -1.380 -3.657 1.938 597 HB VAL 82 HB VAL 82 -1.751 -3.152 -1.023 598 HG11 VAL 82 1HG1 VAL 82 -0.640 -1.008 -0.594 599 HG12 VAL 82 2HG1 VAL 82 -0.628 -1.364 1.133 600 HG13 VAL 82 3HG1 VAL 82 -2.160 -1.143 0.290 601 HG21 VAL 82 3HG2 VAL 82 0.695 -3.004 -1.090 602 HG22 VAL 82 1HG2 VAL 82 0.150 -4.603 -0.578 603 HG23 VAL 82 2HG2 VAL 82 0.765 -3.454 0.614 604 H ASN 83 H ASN 83 -3.055 -3.022 3.171 605 HA ASN 83 HA ASN 83 -5.651 -2.502 1.927 606 HB2 ASN 83 1HB ASN 83 -5.556 -3.699 4.104 607 HB3 ASN 83 2HB ASN 83 -4.838 -2.268 4.836 608 HD21 ASN 83 2HD2 ASN 83 -6.121 -0.434 5.154 609 HD22 ASN 83 1HD2 ASN 83 -7.846 -0.506 5.104 610 H VAL 84 H VAL 84 -5.913 -0.613 0.997 611 HA VAL 84 HA VAL 84 -4.439 1.727 1.930 612 HB VAL 84 HB VAL 84 -6.216 1.345 -0.492 613 HG11 VAL 84 1HG1 VAL 84 -5.375 3.525 -1.238 614 HG12 VAL 84 2HG1 VAL 84 -4.533 3.723 0.297 615 HG13 VAL 84 3HG1 VAL 84 -6.295 3.662 0.261 616 HG21 VAL 84 3HG2 VAL 84 -4.097 0.127 -0.614 617 HG22 VAL 84 1HG2 VAL 84 -3.218 1.616 -0.266 618 HG23 VAL 84 2HG2 VAL 84 -4.136 1.464 -1.765 619 H ASP 85 H ASP 85 -5.305 3.144 3.264 620 HA ASP 85 HA ASP 85 -6.753 4.466 4.376 621 HB2 ASP 85 1HB ASP 85 -7.538 5.186 2.189 622 HB3 ASP 85 2HB ASP 85 -8.625 3.805 2.096 623 HA PRO 86 HA PRO 86 -8.849 0.983 6.441 624 HB2 PRO 86 1HB PRO 86 -7.448 1.654 8.839 625 HB3 PRO 86 2HB PRO 86 -7.192 0.260 7.791 626 HG2 PRO 86 1HG PRO 86 -5.385 2.322 8.150 627 HG3 PRO 86 2HG PRO 86 -5.405 1.222 6.760 628 HD2 PRO 86 1HD PRO 86 -6.493 4.001 7.005 629 HD3 PRO 86 2HD PRO 86 -5.655 3.232 5.637 630 H GLU 87 H GLU 87 -8.151 4.211 7.772 631 HA GLU 87 HA GLU 87 -10.373 4.106 9.608 632 HB2 GLU 87 1HB GLU 87 -8.605 6.432 8.824 633 HB3 GLU 87 2HB GLU 87 -9.753 6.430 10.151 634 HG2 GLU 87 1HG GLU 87 -7.650 6.112 11.123 635 HG3 GLU 87 2HG GLU 87 -8.425 4.530 11.137 636 H ASN 88 H ASN 88 -10.091 4.711 6.360 637 HA ASN 88 HA ASN 88 -11.329 5.685 4.759 638 HB2 ASN 88 1HB ASN 88 -13.449 5.613 6.905 639 HB3 ASN 88 2HB ASN 88 -13.757 6.148 5.255 640 HD21 ASN 88 2HD2 ASN 88 -11.837 4.209 4.140 641 HD22 ASN 88 1HD2 ASN 88 -12.643 2.671 4.228 642 H ALA 89 H ALA 89 -9.646 7.300 5.288 643 HA ALA 89 HA ALA 89 -10.777 9.847 6.224 644 HB1 ALA 89 3HB ALA 89 -8.660 9.182 7.256 645 HB2 ALA 89 1HB ALA 89 -8.452 10.634 6.280 646 HB3 ALA 89 2HB ALA 89 -7.909 9.074 5.665 647 H VAL 90 H VAL 90 -9.505 8.126 3.498 648 HA VAL 90 HA VAL 90 -10.145 10.439 1.782 649 HB VAL 90 HB VAL 90 -8.282 8.139 1.143 650 HG11 VAL 90 1HG1 VAL 90 -8.910 10.664 -0.384 651 HG12 VAL 90 2HG1 VAL 90 -9.402 9.028 -0.827 652 HG13 VAL 90 3HG1 VAL 90 -7.694 9.469 -0.832 653 HG21 VAL 90 3HG2 VAL 90 -7.304 9.595 2.829 654 HG22 VAL 90 1HG2 VAL 90 -7.652 11.010 1.833 655 HG23 VAL 90 2HG2 VAL 90 -6.484 9.809 1.281 656 H ASN 91 H ASN 91 -12.132 10.152 1.028 657 HA ASN 91 HA ASN 91 -13.430 7.642 0.895 658 HB2 ASN 91 1HB ASN 91 -14.546 9.882 1.172 659 HB3 ASN 91 2HB ASN 91 -14.236 10.183 -0.535 660 HD21 ASN 91 2HD2 ASN 91 -15.986 8.223 1.757 661 HD22 ASN 91 1HD2 ASN 91 -17.192 7.653 0.651 662 H GLU 92 H GLU 92 -12.797 6.105 -0.436 663 HA GLU 92 HA GLU 92 -11.410 6.651 -2.891 664 HB2 GLU 92 1HB GLU 92 -11.464 4.566 -1.053 665 HB3 GLU 92 2HB GLU 92 -12.240 3.902 -2.481 666 HG2 GLU 92 1HG GLU 92 -9.530 5.201 -2.477 667 HG3 GLU 92 2HG GLU 92 -9.813 3.465 -2.362 668 H GLY 93 H GLY 93 -12.009 6.061 -4.936 669 HA2 GLY 93 1HA GLY 93 -14.664 6.193 -5.793 670 HA3 GLY 93 2HA GLY 93 -13.327 5.534 -6.719 671 H ASN 94 H ASN 94 -13.075 3.387 -6.899 672 HA ASN 94 HA ASN 94 -15.483 1.843 -6.543 673 HB2 ASN 94 1HB ASN 94 -13.144 0.370 -7.490 674 HB3 ASN 94 2HB ASN 94 -14.698 0.626 -8.275 675 HD21 ASN 94 2HD2 ASN 94 -11.505 1.921 -7.754 676 HD22 ASN 94 1HD2 ASN 94 -11.508 3.020 -9.095 677 H GLU 95 H GLU 95 -15.881 0.330 -5.040 678 HA GLU 95 HA GLU 95 -14.052 -0.067 -2.884 679 HB2 GLU 95 1HB GLU 95 -16.651 -1.466 -3.526 680 HB3 GLU 95 2HB GLU 95 -15.746 -1.669 -2.032 681 HG2 GLU 95 1HG GLU 95 -16.014 0.760 -1.607 682 HG3 GLU 95 2HG GLU 95 -17.050 0.851 -3.032 683 H SER 96 H SER 96 -12.272 -0.841 -4.161 684 HA SER 96 HA SER 96 -12.090 -3.713 -4.131 685 HB2 SER 96 1HB SER 96 -11.660 -2.290 -6.774 686 HB3 SER 96 2HB SER 96 -11.487 -4.014 -6.468 687 HG SER 96 HG SER 96 -13.911 -3.421 -5.701 688 H ASN 97 H ASN 97 -10.715 -0.604 -4.985 689 HA ASN 97 HA ASN 97 -8.040 -1.433 -5.314 690 HB2 ASN 97 1HB ASN 97 -9.195 1.279 -4.680 691 HB3 ASN 97 2HB ASN 97 -7.524 0.989 -5.144 692 HD21 ASN 97 2HD2 ASN 97 -9.586 2.608 -6.377 693 HD22 ASN 97 1HD2 ASN 97 -9.696 2.041 -8.018 694 H ASN 98 H ASN 98 -9.865 -1.070 -2.485 695 HA ASN 98 HA ASN 98 -7.855 0.046 -0.811 696 HB2 ASN 98 1HB ASN 98 -10.352 -1.494 -0.083 697 HB3 ASN 98 2HB ASN 98 -9.326 -0.641 1.066 698 HD21 ASN 98 2HD2 ASN 98 -9.298 1.623 1.063 699 HD22 ASN 98 1HD2 ASN 98 -10.546 2.540 0.286 700 H THR 99 H THR 99 -7.974 -2.937 -2.252 701 HA THR 99 HA THR 99 -6.095 -3.999 -0.286 702 HB THR 99 HB THR 99 -7.234 -6.310 -0.692 703 HG1 THR 99 HG1 THR 99 -8.977 -4.618 -1.867 704 HG21 THR 99 3HG2 THR 99 -7.055 -5.248 1.496 705 HG22 THR 99 1HG2 THR 99 -8.643 -5.991 1.295 706 HG23 THR 99 2HG2 THR 99 -8.461 -4.244 1.137 707 H LEU 100 H LEU 100 -4.292 -4.505 -1.326 708 HA LEU 100 HA LEU 100 -4.506 -5.816 -3.962 709 HB2 LEU 100 1HB LEU 100 -3.097 -3.861 -4.098 710 HB3 LEU 100 2HB LEU 100 -2.184 -4.358 -2.686 711 HG LEU 100 HG LEU 100 -1.409 -6.358 -4.024 712 HD11 LEU 100 1HD1 LEU 100 -3.153 -6.358 -5.713 713 HD12 LEU 100 2HD1 LEU 100 -1.564 -6.190 -6.461 714 HD13 LEU 100 3HD1 LEU 100 -2.612 -4.781 -6.294 715 HD21 LEU 100 3HD2 LEU 100 0.269 -5.074 -5.262 716 HD22 LEU 100 1HD2 LEU 100 0.018 -4.428 -3.641 717 HD23 LEU 100 2HD2 LEU 100 -0.687 -3.611 -5.035 718 H THR 101 H THR 101 -4.652 -7.935 -3.598 719 HA THR 101 HA THR 101 -3.230 -9.160 -1.375 720 HB THR 101 HB THR 101 -4.858 -10.678 -3.390 721 HG1 THR 101 HG1 THR 101 -6.388 -9.852 -1.313 722 HG21 THR 101 3HG2 THR 101 -4.493 -10.930 -0.399 723 HG22 THR 101 1HG2 THR 101 -3.713 -11.928 -1.626 724 HG23 THR 101 2HG2 THR 101 -5.461 -12.004 -1.409 725 H ALA 102 H ALA 102 -1.077 -9.361 -1.846 726 HA ALA 102 HA ALA 102 -0.396 -10.715 -4.378 727 HB1 ALA 102 3HB ALA 102 1.261 -8.679 -2.893 728 HB2 ALA 102 1HB ALA 102 0.343 -8.382 -4.370 729 HB3 ALA 102 2HB ALA 102 1.710 -9.495 -4.390 730 H LEU 103 H LEU 103 0.616 -12.595 -4.199 731 HA LEU 103 HA LEU 103 1.460 -13.521 -1.585 732 HB2 LEU 103 1HB LEU 103 1.288 -14.833 -4.288 733 HB3 LEU 103 2HB LEU 103 2.022 -15.628 -2.910 734 HG LEU 103 HG LEU 103 -0.846 -14.689 -3.040 735 HD11 LEU 103 1HD1 LEU 103 -0.429 -16.575 -4.530 736 HD12 LEU 103 2HD1 LEU 103 -1.384 -17.074 -3.134 737 HD13 LEU 103 3HD1 LEU 103 0.335 -17.459 -3.209 738 HD21 LEU 103 3HD2 LEU 103 -1.095 -15.959 -0.959 739 HD22 LEU 103 1HD2 LEU 103 0.064 -14.641 -0.779 740 HD23 LEU 103 2HD2 LEU 103 0.636 -16.299 -0.962 741 H VAL 104 H VAL 104 3.461 -13.435 -0.853 742 HA VAL 104 HA VAL 104 5.639 -13.090 -2.808 743 HB VAL 104 HB VAL 104 6.925 -11.898 -1.097 744 HG11 VAL 104 1HG1 VAL 104 5.649 -9.820 -1.052 745 HG12 VAL 104 2HG1 VAL 104 4.185 -10.700 -1.493 746 HG13 VAL 104 3HG1 VAL 104 5.532 -10.602 -2.630 747 HG21 VAL 104 3HG2 VAL 104 4.450 -12.170 0.600 748 HG22 VAL 104 1HG2 VAL 104 5.824 -11.127 0.974 749 HG23 VAL 104 2HG2 VAL 104 6.034 -12.880 0.919 750 H GLY 105 H GLY 105 7.515 -14.314 -2.508 751 HA2 GLY 105 1HA GLY 105 7.171 -16.523 -0.569 752 HA3 GLY 105 2HA GLY 105 7.721 -16.792 -2.217 753 H THR 106 H THR 106 9.081 -17.527 0.205 754 HA THR 106 HA THR 106 11.205 -15.758 0.749 755 HB THR 106 HB THR 106 12.390 -17.800 1.605 756 HG1 THR 106 HG1 THR 106 10.493 -19.024 0.086 757 HG21 THR 106 3HG2 THR 106 10.925 -16.506 3.061 758 HG22 THR 106 1HG2 THR 106 10.791 -18.226 3.428 759 HG23 THR 106 2HG2 THR 106 9.528 -17.422 2.496 760 H LEU 107 H LEU 107 13.200 -15.504 -0.157 761 HA LEU 107 HA LEU 107 13.549 -15.855 -2.879 762 HB2 LEU 107 1HB LEU 107 14.863 -14.329 -1.400 763 HB3 LEU 107 2HB LEU 107 15.749 -15.724 -0.815 764 HG LEU 107 HG LEU 107 16.551 -16.134 -3.142 765 HD11 LEU 107 1HD1 LEU 107 14.744 -15.014 -4.337 766 HD12 LEU 107 2HD1 LEU 107 16.313 -14.349 -4.791 767 HD13 LEU 107 3HD1 LEU 107 15.266 -13.460 -3.685 768 HD21 LEU 107 3HD2 LEU 107 18.172 -14.305 -3.150 769 HD22 LEU 107 1HD2 LEU 107 17.930 -14.933 -1.520 770 HD23 LEU 107 2HD2 LEU 107 17.177 -13.412 -1.999 771 H GLU 108 H GLU 108 13.963 -17.568 -4.111 772 HA GLU 108 HA GLU 108 13.978 -20.134 -2.926 773 HB2 GLU 108 1HB GLU 108 14.413 -19.297 -5.788 774 HB3 GLU 108 2HB GLU 108 14.133 -20.951 -5.256 775 HG2 GLU 108 1HG GLU 108 11.935 -20.470 -4.576 776 HG3 GLU 108 2HG GLU 108 12.203 -18.730 -4.673 777 H HIS 109 H HIS 109 16.524 -18.031 -3.909 778 HA HIS 109 HA HIS 109 18.494 -20.161 -3.979 779 HB2 HIS 109 1HB HIS 109 18.687 -17.172 -4.308 780 HB3 HIS 109 2HB HIS 109 20.121 -18.185 -4.163 781 HD1 HIS 109 HD1 HIS 109 19.739 -16.642 -6.737 782 HD2 HIS 109 HD2 HIS 109 18.288 -20.494 -6.144 783 HE1 HIS 109 HE1 HIS 109 19.455 -17.625 -9.037 784 HE2 HIS 109 HE2 HIS 109 18.778 -20.025 -8.636 785 H HIS 110 H HIS 110 16.899 -18.462 -1.647 786 HA HIS 110 HA HIS 110 18.997 -19.087 0.326 787 HB2 HIS 110 1HB HIS 110 18.317 -16.635 0.149 788 HB3 HIS 110 2HB HIS 110 16.726 -17.121 0.722 789 HD1 HIS 110 HD1 HIS 110 19.639 -15.644 1.964 790 HD2 HIS 110 HD2 HIS 110 17.201 -18.721 3.347 791 HE1 HIS 110 HE1 HIS 110 20.079 -15.809 4.435 792 HE2 HIS 110 HE2 HIS 110 18.802 -17.847 5.182 793 H HIS 111 H HIS 111 18.269 -21.244 0.342 794 HA HIS 111 HA HIS 111 15.597 -22.018 0.237 795 HB2 HIS 111 1HB HIS 111 18.106 -23.441 1.041 796 HB3 HIS 111 2HB HIS 111 16.541 -24.238 1.180 797 HD1 HIS 111 HD1 HIS 111 19.008 -22.984 -1.341 798 HD2 HIS 111 HD2 HIS 111 15.318 -24.906 -1.240 799 HE1 HIS 111 HE1 HIS 111 18.599 -23.801 -3.686 800 HE2 HIS 111 HE2 HIS 111 16.307 -24.857 -3.631 801 H HIS 112 H HIS 112 14.044 -21.807 1.601 802 HA HIS 112 HA HIS 112 14.582 -21.545 4.448 803 HB2 HIS 112 1HB HIS 112 13.007 -19.957 3.578 804 HB3 HIS 112 2HB HIS 112 12.071 -21.225 2.794 805 HD1 HIS 112 HD1 HIS 112 10.381 -22.506 4.216 806 HD2 HIS 112 HD2 HIS 112 12.603 -19.729 6.374 807 HE1 HIS 112 HE1 HIS 112 9.264 -22.345 6.464 808 HE2 HIS 112 HE2 HIS 112 10.581 -20.606 7.734 809 H HIS 113 H HIS 113 14.502 -23.200 5.770 810 HA HIS 113 HA HIS 113 12.634 -25.385 5.185 811 HB2 HIS 113 1HB HIS 113 14.413 -26.880 6.383 812 HB3 HIS 113 2HB HIS 113 14.591 -26.514 4.674 813 HD1 HIS 113 HD1 HIS 113 16.760 -25.577 3.969 814 HD2 HIS 113 HD2 HIS 113 16.154 -25.181 8.068 815 HE1 HIS 113 HE1 HIS 113 18.922 -24.682 4.892 816 HE2 HIS 113 HE2 HIS 113 18.483 -24.299 7.343 817 H HIS 114 H HIS 114 11.497 -26.143 6.891 818 HA HIS 114 HA HIS 114 11.779 -24.593 9.378 819 HB2 HIS 114 1HB HIS 114 9.687 -24.301 7.979 820 HB3 HIS 114 2HB HIS 114 9.304 -25.981 8.325 821 HD1 HIS 114 HD1 HIS 114 8.273 -22.837 9.336 822 HD2 HIS 114 HD2 HIS 114 9.423 -26.232 11.447 823 HE1 HIS 114 HE1 HIS 114 7.264 -22.587 11.624 824 HE2 HIS 114 HE2 HIS 114 7.825 -24.730 12.823 Start of MODEL 5 1 H1 MET 1 1H MET 1 -15.747 14.025 -9.196 2 H2 MET 1 2H MET 1 -15.388 15.405 -10.106 3 H3 MET 1 3H MET 1 -15.675 15.541 -8.442 4 HA MET 1 HA MET 1 -13.388 14.197 -9.750 5 HB2 MET 1 1HB MET 1 -13.512 16.621 -7.937 6 HB3 MET 1 2HB MET 1 -12.044 15.908 -8.590 7 HG2 MET 1 1HG MET 1 -12.775 16.468 -10.847 8 HG3 MET 1 2HG MET 1 -14.252 17.173 -10.193 9 HE1 MET 1 3HE MET 1 -10.343 17.465 -10.421 10 HE2 MET 1 1HE MET 1 -10.622 17.378 -8.683 11 HE3 MET 1 2HE MET 1 -10.031 18.875 -9.406 12 H ILE 2 H ILE 2 -13.616 12.230 -8.701 13 HA ILE 2 HA ILE 2 -13.258 12.349 -5.776 14 HB ILE 2 HB ILE 2 -15.323 11.159 -6.663 15 HG12 ILE 2 1HG1 ILE 2 -13.392 9.460 -5.072 16 HG13 ILE 2 2HG1 ILE 2 -14.400 10.742 -4.408 17 HG21 ILE 2 1HG2 ILE 2 -14.331 10.101 -8.615 18 HG22 ILE 2 2HG2 ILE 2 -15.043 8.893 -7.544 19 HG23 ILE 2 3HG2 ILE 2 -13.294 9.124 -7.575 20 HD11 ILE 2 3HD1 ILE 2 -16.399 9.501 -5.029 21 HD12 ILE 2 1HD1 ILE 2 -15.347 8.542 -3.989 22 HD13 ILE 2 2HD1 ILE 2 -15.398 8.225 -5.722 23 HA PRO 3 HA PRO 3 -9.280 10.449 -6.643 24 HB2 PRO 3 1HB PRO 3 -8.966 9.788 -3.863 25 HB3 PRO 3 2HB PRO 3 -8.204 11.097 -4.765 26 HG2 PRO 3 1HG PRO 3 -10.059 11.457 -2.764 27 HG3 PRO 3 2HG PRO 3 -9.717 12.636 -4.042 28 HD2 PRO 3 1HD PRO 3 -11.962 10.676 -3.817 29 HD3 PRO 3 2HD PRO 3 -11.973 12.341 -4.440 30 H ASP 4 H ASP 4 -8.334 8.351 -6.657 31 HA ASP 4 HA ASP 4 -9.800 6.189 -5.338 32 HB2 ASP 4 1HB ASP 4 -10.732 6.497 -7.676 33 HB3 ASP 4 2HB ASP 4 -9.132 6.125 -8.298 34 H LEU 5 H LEU 5 -8.114 5.407 -4.093 35 HA LEU 5 HA LEU 5 -5.433 5.631 -5.291 36 HB2 LEU 5 1HB LEU 5 -6.047 4.891 -2.436 37 HB3 LEU 5 2HB LEU 5 -4.568 5.566 -3.086 38 HG LEU 5 HG LEU 5 -7.168 7.087 -2.895 39 HD11 LEU 5 1HD1 LEU 5 -6.360 6.500 -0.671 40 HD12 LEU 5 2HD1 LEU 5 -6.172 8.225 -0.981 41 HD13 LEU 5 3HD1 LEU 5 -4.772 7.156 -1.066 42 HD21 LEU 5 3HD2 LEU 5 -5.594 7.873 -4.617 43 HD22 LEU 5 1HD2 LEU 5 -4.352 8.037 -3.376 44 HD23 LEU 5 2HD2 LEU 5 -5.802 9.037 -3.306 45 H VAL 6 H VAL 6 -4.396 3.890 -5.936 46 HA VAL 6 HA VAL 6 -5.422 1.260 -5.084 47 HB VAL 6 HB VAL 6 -4.286 1.786 -7.822 48 HG11 VAL 6 1HG1 VAL 6 -6.146 -0.335 -6.762 49 HG12 VAL 6 2HG1 VAL 6 -4.429 -0.535 -7.115 50 HG13 VAL 6 3HG1 VAL 6 -5.567 -0.210 -8.423 51 HG21 VAL 6 3HG2 VAL 6 -6.173 3.332 -7.532 52 HG22 VAL 6 1HG2 VAL 6 -7.202 1.978 -7.060 53 HG23 VAL 6 2HG2 VAL 6 -6.549 2.059 -8.695 54 HA PRO 7 HA PRO 7 -1.024 0.439 -4.534 55 HB2 PRO 7 1HB PRO 7 -1.643 -2.301 -3.945 56 HB3 PRO 7 2HB PRO 7 -1.181 -1.029 -2.815 57 HG2 PRO 7 1HG PRO 7 -3.666 -2.211 -2.890 58 HG3 PRO 7 2HG PRO 7 -3.338 -0.601 -2.226 59 HD2 PRO 7 1HD PRO 7 -4.442 -1.358 -4.904 60 HD3 PRO 7 2HD PRO 7 -4.903 -0.018 -3.830 61 H VAL 8 H VAL 8 0.019 0.314 -6.376 62 HA VAL 8 HA VAL 8 -1.100 -0.988 -8.657 63 HB VAL 8 HB VAL 8 1.643 0.248 -8.454 64 HG11 VAL 8 1HG1 VAL 8 -0.273 -0.053 -10.752 65 HG12 VAL 8 2HG1 VAL 8 1.192 -1.002 -10.492 66 HG13 VAL 8 3HG1 VAL 8 1.305 0.729 -10.817 67 HG21 VAL 8 3HG2 VAL 8 -0.983 1.632 -8.986 68 HG22 VAL 8 1HG2 VAL 8 0.614 2.366 -9.140 69 HG23 VAL 8 2HG2 VAL 8 0.034 1.837 -7.561 70 H SER 9 H SER 9 1.951 -1.386 -6.869 71 HA SER 9 HA SER 9 1.898 -4.227 -7.339 72 HB2 SER 9 1HB SER 9 2.933 -3.325 -9.419 73 HB3 SER 9 2HB SER 9 4.184 -2.569 -8.435 74 HG SER 9 HG SER 9 5.108 -4.436 -8.946 75 H LEU 10 H LEU 10 3.744 -5.300 -6.226 76 HA LEU 10 HA LEU 10 4.797 -3.685 -4.000 77 HB2 LEU 10 1HB LEU 10 3.049 -4.917 -3.020 78 HB3 LEU 10 2HB LEU 10 3.402 -6.345 -3.966 79 HG LEU 10 HG LEU 10 5.462 -6.687 -2.620 80 HD11 LEU 10 1HD1 LEU 10 5.699 -5.480 -0.504 81 HD12 LEU 10 2HD1 LEU 10 4.375 -4.410 -0.972 82 HD13 LEU 10 3HD1 LEU 10 5.877 -4.409 -1.895 83 HD21 LEU 10 3HD2 LEU 10 3.402 -7.849 -2.078 84 HD22 LEU 10 1HD2 LEU 10 2.887 -6.494 -1.075 85 HD23 LEU 10 2HD2 LEU 10 4.295 -7.449 -0.611 86 H THR 11 H THR 11 6.912 -3.775 -3.859 87 HA THR 11 HA THR 11 8.338 -6.121 -4.933 88 HB THR 11 HB THR 11 10.250 -4.594 -5.399 89 HG1 THR 11 HG1 THR 11 9.160 -2.896 -3.954 90 HG21 THR 11 3HG2 THR 11 9.300 -3.637 -7.453 91 HG22 THR 11 1HG2 THR 11 7.676 -3.952 -6.841 92 HG23 THR 11 2HG2 THR 11 8.760 -5.297 -7.198 93 HA PRO 12 HA PRO 12 9.945 -7.187 -4.796 94 HB2 PRO 12 1HB PRO 12 11.191 -9.201 -3.592 95 HB3 PRO 12 2HB PRO 12 12.004 -7.647 -3.817 96 HG2 PRO 12 1HG PRO 12 10.764 -8.798 -1.358 97 HG3 PRO 12 2HG PRO 12 12.234 -7.824 -1.522 98 HD2 PRO 12 1HD PRO 12 9.697 -6.884 -0.783 99 HD3 PRO 12 2HD PRO 12 11.072 -5.889 -1.294 100 H VAL 13 H VAL 13 9.468 -9.563 -5.202 101 HA VAL 13 HA VAL 13 6.903 -10.234 -3.947 102 HB VAL 13 HB VAL 13 6.520 -11.736 -5.820 103 HG11 VAL 13 1HG1 VAL 13 5.865 -9.417 -6.087 104 HG12 VAL 13 2HG1 VAL 13 6.415 -10.072 -7.629 105 HG13 VAL 13 3HG1 VAL 13 7.471 -9.009 -6.696 106 HG21 VAL 13 3HG2 VAL 13 8.804 -12.489 -6.215 107 HG22 VAL 13 1HG2 VAL 13 9.245 -10.886 -6.804 108 HG23 VAL 13 2HG2 VAL 13 8.087 -11.867 -7.702 109 H THR 14 H THR 14 10.165 -11.104 -3.913 110 HA THR 14 HA THR 14 9.501 -13.535 -2.390 111 HB THR 14 HB THR 14 12.168 -13.803 -3.008 112 HG1 THR 14 HG1 THR 14 10.824 -12.444 -5.076 113 HG21 THR 14 3HG2 THR 14 10.448 -15.569 -3.054 114 HG22 THR 14 1HG2 THR 14 11.467 -15.600 -4.494 115 HG23 THR 14 2HG2 THR 14 9.840 -14.920 -4.577 116 H VAL 15 H VAL 15 10.756 -13.885 -0.450 117 HA VAL 15 HA VAL 15 12.361 -11.607 0.472 118 HB VAL 15 HB VAL 15 11.145 -11.629 2.668 119 HG11 VAL 15 1HG1 VAL 15 9.488 -10.866 0.266 120 HG12 VAL 15 2HG1 VAL 15 10.722 -9.871 1.037 121 HG13 VAL 15 3HG1 VAL 15 9.248 -10.281 1.913 122 HG21 VAL 15 3HG2 VAL 15 10.091 -13.812 2.491 123 HG22 VAL 15 1HG2 VAL 15 9.119 -13.254 1.130 124 HG23 VAL 15 2HG2 VAL 15 8.874 -12.558 2.733 125 H VAL 16 H VAL 16 13.614 -12.105 2.416 126 HA VAL 16 HA VAL 16 14.310 -14.954 2.439 127 HB VAL 16 HB VAL 16 15.959 -12.847 3.787 128 HG11 VAL 16 1HG1 VAL 16 17.796 -14.336 3.163 129 HG12 VAL 16 2HG1 VAL 16 16.652 -15.407 2.356 130 HG13 VAL 16 3HG1 VAL 16 16.566 -15.179 4.104 131 HG21 VAL 16 3HG2 VAL 16 16.010 -13.453 0.831 132 HG22 VAL 16 1HG2 VAL 16 17.184 -12.460 1.699 133 HG23 VAL 16 2HG2 VAL 16 15.505 -11.936 1.574 134 HA PRO 17 HA PRO 17 12.212 -15.240 6.310 135 HB2 PRO 17 1HB PRO 17 13.378 -17.851 6.740 136 HB3 PRO 17 2HB PRO 17 11.738 -17.440 6.235 137 HG2 PRO 17 1HG PRO 17 13.524 -18.677 4.606 138 HG3 PRO 17 2HG PRO 17 12.247 -17.601 4.005 139 HD2 PRO 17 1HD PRO 17 15.148 -17.007 4.488 140 HD3 PRO 17 2HD PRO 17 14.125 -16.567 3.105 141 H ASN 18 H ASN 18 15.302 -14.433 6.391 142 HA ASN 18 HA ASN 18 15.692 -15.305 9.187 143 HB2 ASN 18 1HB ASN 18 18.026 -15.678 8.777 144 HB3 ASN 18 2HB ASN 18 17.115 -16.554 7.550 145 HD21 ASN 18 2HD2 ASN 18 19.858 -15.604 7.506 146 HD22 ASN 18 1HD2 ASN 18 19.986 -14.565 6.125 147 H THR 19 H THR 19 15.214 -12.660 7.317 148 HA THR 19 HA THR 19 16.744 -10.936 9.108 149 HB THR 19 HB THR 19 18.181 -11.439 7.115 150 HG1 THR 19 HG1 THR 19 18.438 -9.459 8.223 151 HG21 THR 19 3HG2 THR 19 16.430 -11.652 5.428 152 HG22 THR 19 1HG2 THR 19 17.599 -10.419 4.960 153 HG23 THR 19 2HG2 THR 19 16.031 -9.944 5.609 154 H VAL 20 H VAL 20 16.210 -8.518 8.465 155 HA VAL 20 HA VAL 20 13.335 -8.329 8.258 156 HB VAL 20 HB VAL 20 15.361 -6.085 8.419 157 HG11 VAL 20 1HG1 VAL 20 12.355 -6.096 8.756 158 HG12 VAL 20 2HG1 VAL 20 13.262 -5.346 7.440 159 HG13 VAL 20 3HG1 VAL 20 13.411 -4.719 9.082 160 HG21 VAL 20 3HG2 VAL 20 15.398 -7.515 10.402 161 HG22 VAL 20 1HG2 VAL 20 13.651 -7.334 10.567 162 HG23 VAL 20 2HG2 VAL 20 14.706 -5.935 10.767 163 H ASN 21 H ASN 21 12.203 -7.627 6.610 164 HA ASN 21 HA ASN 21 13.599 -7.389 4.039 165 HB2 ASN 21 1HB ASN 21 11.022 -8.799 4.746 166 HB3 ASN 21 2HB ASN 21 11.439 -8.373 3.088 167 HD21 ASN 21 2HD2 ASN 21 12.312 -10.315 5.846 168 HD22 ASN 21 1HD2 ASN 21 13.290 -11.451 4.986 169 H THR 22 H THR 22 13.041 -5.697 2.766 170 HA THR 22 HA THR 22 11.187 -3.811 4.050 171 HB THR 22 HB THR 22 13.387 -3.170 2.069 172 HG1 THR 22 HG1 THR 22 14.622 -3.588 3.752 173 HG21 THR 22 3HG2 THR 22 13.096 -0.872 2.884 174 HG22 THR 22 1HG2 THR 22 11.794 -1.412 3.944 175 HG23 THR 22 2HG2 THR 22 11.600 -1.499 2.193 176 H MET 23 H MET 23 9.416 -3.419 3.064 177 HA MET 23 HA MET 23 9.009 -4.638 0.430 178 HB2 MET 23 1HB MET 23 6.976 -4.207 2.630 179 HB3 MET 23 2HB MET 23 6.730 -5.094 1.132 180 HG2 MET 23 1HG MET 23 8.561 -5.864 3.392 181 HG3 MET 23 2HG MET 23 7.023 -6.618 2.977 182 HE1 MET 23 3HE MET 23 7.123 -6.722 -0.181 183 HE2 MET 23 1HE MET 23 6.623 -8.088 0.816 184 HE3 MET 23 2HE MET 23 7.832 -8.314 -0.447 185 H THR 24 H THR 24 8.441 -3.347 -1.154 186 HA THR 24 HA THR 24 7.688 -0.602 -0.426 187 HB THR 24 HB THR 24 9.018 -1.535 -2.977 188 HG1 THR 24 HG1 THR 24 10.246 -0.167 -0.785 189 HG21 THR 24 3HG2 THR 24 8.633 1.223 -1.806 190 HG22 THR 24 1HG2 THR 24 7.764 0.554 -3.188 191 HG23 THR 24 2HG2 THR 24 9.501 0.846 -3.295 192 H ALA 25 H ALA 25 5.804 0.037 -0.987 193 HA ALA 25 HA ALA 25 4.266 -1.459 -2.988 194 HB1 ALA 25 3HB ALA 25 2.267 -0.896 -1.680 195 HB2 ALA 25 1HB ALA 25 3.282 -0.098 -0.478 196 HB3 ALA 25 2HB ALA 25 3.414 -1.839 -0.728 197 H THR 26 H THR 26 3.376 -0.268 -4.562 198 HA THR 26 HA THR 26 3.948 2.617 -4.464 199 HB THR 26 HB THR 26 3.774 0.787 -6.876 200 HG1 THR 26 HG1 THR 26 6.052 2.191 -5.886 201 HG21 THR 26 3HG2 THR 26 4.555 2.740 -8.160 202 HG22 THR 26 1HG2 THR 26 4.444 3.734 -6.708 203 HG23 THR 26 2HG2 THR 26 2.984 3.038 -7.416 204 H ILE 27 H ILE 27 2.284 3.901 -4.488 205 HA ILE 27 HA ILE 27 -0.357 2.730 -5.084 206 HB ILE 27 HB ILE 27 0.116 5.056 -3.219 207 HG12 ILE 27 1HG1 ILE 27 1.446 3.174 -2.347 208 HG13 ILE 27 2HG1 ILE 27 0.080 3.539 -1.302 209 HG21 ILE 27 1HG2 ILE 27 -2.132 3.067 -3.447 210 HG22 ILE 27 2HG2 ILE 27 -2.150 4.742 -3.999 211 HG23 ILE 27 3HG2 ILE 27 -2.040 4.383 -2.275 212 HD11 ILE 27 3HD1 ILE 27 0.200 1.291 -3.298 213 HD12 ILE 27 1HD1 ILE 27 -1.130 1.633 -2.189 214 HD13 ILE 27 2HD1 ILE 27 0.444 1.139 -1.558 215 H GLU 28 H GLU 28 -1.550 3.774 -6.532 216 HA GLU 28 HA GLU 28 -0.636 6.429 -7.424 217 HB2 GLU 28 1HB GLU 28 0.034 4.741 -9.034 218 HB3 GLU 28 2HB GLU 28 -1.581 4.057 -9.049 219 HG2 GLU 28 1HG GLU 28 -1.069 5.359 -11.046 220 HG3 GLU 28 2HG GLU 28 -2.446 6.003 -10.153 221 H ASN 29 H ASN 29 -2.264 7.823 -8.170 222 HA ASN 29 HA ASN 29 -4.853 7.217 -6.921 223 HB2 ASN 29 1HB ASN 29 -3.730 9.182 -6.027 224 HB3 ASN 29 2HB ASN 29 -3.592 9.869 -7.641 225 HD21 ASN 29 2HD2 ASN 29 -4.655 11.706 -6.825 226 HD22 ASN 29 1HD2 ASN 29 -6.378 11.733 -6.636 227 H GLN 30 H GLN 30 -5.972 6.190 -8.435 228 HA GLN 30 HA GLN 30 -6.084 7.217 -11.149 229 HB2 GLN 30 1HB GLN 30 -7.382 4.783 -9.901 230 HB3 GLN 30 2HB GLN 30 -7.435 5.197 -11.611 231 HG2 GLN 30 1HG GLN 30 -4.982 5.026 -11.708 232 HG3 GLN 30 2HG GLN 30 -4.964 4.550 -10.013 233 HE21 GLN 30 2HE2 GLN 30 -4.006 3.108 -12.343 234 HE22 GLN 30 1HE2 GLN 30 -4.877 1.611 -12.381 235 H GLY 31 H GLY 31 -6.954 9.148 -9.888 236 HA2 GLY 31 1HA GLY 31 -9.651 9.526 -10.700 237 HA3 GLY 31 2HA GLY 31 -9.516 9.420 -8.943 238 H ASN 32 H ASN 32 -10.259 11.778 -10.473 239 HA ASN 32 HA ASN 32 -7.809 13.218 -11.004 240 HB2 ASN 32 1HB ASN 32 -9.229 14.840 -12.145 241 HB3 ASN 32 2HB ASN 32 -9.561 13.201 -12.687 242 HD21 ASN 32 2HD2 ASN 32 -11.236 15.465 -12.959 243 HD22 ASN 32 1HD2 ASN 32 -12.705 15.125 -12.104 244 H LYS 33 H LYS 33 -9.375 12.909 -8.202 245 HA LYS 33 HA LYS 33 -8.871 15.719 -7.489 246 HB2 LYS 33 1HB LYS 33 -11.145 14.853 -6.931 247 HB3 LYS 33 2HB LYS 33 -10.392 13.675 -5.862 248 HG2 LYS 33 1HG LYS 33 -9.445 15.497 -4.528 249 HG3 LYS 33 2HG LYS 33 -10.224 16.668 -5.590 250 HD2 LYS 33 1HD LYS 33 -12.422 15.675 -4.965 251 HD3 LYS 33 2HD LYS 33 -11.575 14.655 -3.797 252 HE2 LYS 33 1HE LYS 33 -10.710 16.696 -2.702 253 HE3 LYS 33 2HE LYS 33 -11.655 17.670 -3.827 254 HZ1 LYS 33 3HZ LYS 33 -13.660 16.506 -2.961 255 HZ2 LYS 33 1HZ LYS 33 -12.877 17.478 -1.812 256 HZ3 LYS 33 2HZ LYS 33 -12.683 15.796 -1.770 257 H ASP 34 H ASP 34 -7.394 16.245 -5.961 258 HA ASP 34 HA ASP 34 -5.430 14.295 -5.192 259 HB2 ASP 34 1HB ASP 34 -4.521 16.423 -5.553 260 HB3 ASP 34 2HB ASP 34 -5.827 17.233 -4.701 261 H SER 35 H SER 35 -5.142 13.329 -3.224 262 HA SER 35 HA SER 35 -7.546 13.291 -1.565 263 HB2 SER 35 1HB SER 35 -6.568 11.184 -0.655 264 HB3 SER 35 2HB SER 35 -6.790 11.139 -2.402 265 HG SER 35 HG SER 35 -4.582 11.545 -2.656 266 H THR 36 H THR 36 -6.389 12.253 0.785 267 HA THR 36 HA THR 36 -4.629 14.410 1.708 268 HB THR 36 HB THR 36 -5.920 14.193 3.939 269 HG1 THR 36 HG1 THR 36 -8.062 13.436 2.232 270 HG21 THR 36 3HG2 THR 36 -7.258 15.505 1.571 271 HG22 THR 36 1HG2 THR 36 -5.957 16.202 2.539 272 HG23 THR 36 2HG2 THR 36 -7.534 15.898 3.269 273 H SER 37 H SER 37 -4.282 13.597 4.305 274 HA SER 37 HA SER 37 -2.396 11.557 4.122 275 HB2 SER 37 1HB SER 37 -3.862 12.428 6.623 276 HB3 SER 37 2HB SER 37 -2.254 11.712 6.523 277 HG SER 37 HG SER 37 -1.903 13.686 5.048 278 H PHE 38 H PHE 38 -2.581 9.423 4.037 279 HA PHE 38 HA PHE 38 -4.944 8.141 5.191 280 HB2 PHE 38 1HB PHE 38 -5.281 6.749 3.231 281 HB3 PHE 38 2HB PHE 38 -5.366 8.443 2.762 282 HD1 PHE 38 HD2 PHE 38 -3.253 9.481 1.723 283 HD2 PHE 38 HD1 PHE 38 -3.866 5.292 2.145 284 HE1 PHE 38 HE2 PHE 38 -1.552 9.057 -0.006 285 HE2 PHE 38 HE1 PHE 38 -2.173 4.870 0.420 286 HZ PHE 38 HZ PHE 38 -1.008 6.737 -0.644 287 H ASN 39 H ASN 39 -4.640 5.923 5.729 288 HA ASN 39 HA ASN 39 -1.831 5.433 6.457 289 HB2 ASN 39 1HB ASN 39 -4.362 4.164 7.529 290 HB3 ASN 39 2HB ASN 39 -2.738 3.929 8.165 291 HD21 ASN 39 2HD2 ASN 39 -5.393 6.164 7.809 292 HD22 ASN 39 1HD2 ASN 39 -4.885 7.251 9.063 293 H VAL 40 H VAL 40 -0.775 4.121 5.030 294 HA VAL 40 HA VAL 40 -2.302 1.905 3.862 295 HB VAL 40 HB VAL 40 0.154 3.364 2.978 296 HG11 VAL 40 1HG1 VAL 40 0.760 1.543 1.448 297 HG12 VAL 40 2HG1 VAL 40 -0.446 0.502 2.204 298 HG13 VAL 40 3HG1 VAL 40 0.952 1.048 3.131 299 HG21 VAL 40 3HG2 VAL 40 -2.043 3.843 2.038 300 HG22 VAL 40 1HG2 VAL 40 -2.200 2.158 1.539 301 HG23 VAL 40 2HG2 VAL 40 -0.951 3.177 0.822 302 H SER 41 H SER 41 -2.249 0.073 4.847 303 HA SER 41 HA SER 41 0.045 -0.567 6.571 304 HB2 SER 41 1HB SER 41 -1.632 -2.015 7.800 305 HB3 SER 41 2HB SER 41 -1.931 -0.280 7.902 306 HG SER 41 HG SER 41 -3.141 -1.860 5.902 307 H LEU 42 H LEU 42 0.999 -2.546 6.421 308 HA LEU 42 HA LEU 42 0.242 -4.184 4.118 309 HB2 LEU 42 1HB LEU 42 2.592 -3.484 4.329 310 HB3 LEU 42 2HB LEU 42 2.691 -4.289 5.884 311 HG LEU 42 HG LEU 42 2.241 -6.455 4.735 312 HD11 LEU 42 1HD1 LEU 42 1.083 -5.570 2.773 313 HD12 LEU 42 2HD1 LEU 42 2.457 -6.576 2.313 314 HD13 LEU 42 3HD1 LEU 42 2.582 -4.819 2.228 315 HD21 LEU 42 3HD2 LEU 42 4.629 -4.910 3.739 316 HD22 LEU 42 1HD2 LEU 42 4.468 -6.666 3.756 317 HD23 LEU 42 2HD2 LEU 42 4.516 -5.769 5.274 318 H LEU 43 H LEU 43 -1.111 -5.786 4.487 319 HA LEU 43 HA LEU 43 -1.179 -7.027 7.140 320 HB2 LEU 43 1HB LEU 43 -3.088 -7.316 4.813 321 HB3 LEU 43 2HB LEU 43 -3.284 -8.063 6.385 322 HG LEU 43 HG LEU 43 -3.228 -5.593 7.256 323 HD11 LEU 43 1HD1 LEU 43 -4.213 -4.010 5.689 324 HD12 LEU 43 2HD1 LEU 43 -4.079 -5.206 4.399 325 HD13 LEU 43 3HD1 LEU 43 -2.623 -4.557 5.156 326 HD21 LEU 43 3HD2 LEU 43 -5.597 -6.743 5.790 327 HD22 LEU 43 1HD2 LEU 43 -5.658 -5.480 7.022 328 HD23 LEU 43 2HD2 LEU 43 -5.126 -7.108 7.450 329 H VAL 44 H VAL 44 -0.494 -9.030 7.496 330 HA VAL 44 HA VAL 44 0.306 -10.658 5.175 331 HB VAL 44 HB VAL 44 1.451 -10.690 7.978 332 HG11 VAL 44 1HG1 VAL 44 2.227 -12.284 5.537 333 HG12 VAL 44 2HG1 VAL 44 1.453 -12.915 6.990 334 HG13 VAL 44 3HG1 VAL 44 3.093 -12.271 7.074 335 HG21 VAL 44 3HG2 VAL 44 2.142 -8.733 6.693 336 HG22 VAL 44 1HG2 VAL 44 2.667 -9.779 5.373 337 HG23 VAL 44 2HG2 VAL 44 3.491 -9.844 6.931 338 H ASP 45 H ASP 45 -1.387 -11.939 4.831 339 HA ASP 45 HA ASP 45 -2.932 -13.573 5.089 340 HB2 ASP 45 1HB ASP 45 -0.935 -14.315 7.200 341 HB3 ASP 45 2HB ASP 45 -2.425 -15.237 7.034 342 H GLY 46 H GLY 46 -3.102 -10.987 6.742 343 HA2 GLY 46 1HA GLY 46 -5.493 -10.647 7.497 344 HA3 GLY 46 2HA GLY 46 -5.160 -11.958 8.618 345 H ILE 47 H ILE 47 -2.493 -11.136 9.295 346 HA ILE 47 HA ILE 47 -3.254 -9.115 11.248 347 HB ILE 47 HB ILE 47 -0.526 -10.353 11.083 348 HG12 ILE 47 1HG1 ILE 47 -2.942 -11.617 12.402 349 HG13 ILE 47 2HG1 ILE 47 -2.201 -12.190 10.911 350 HG21 ILE 47 1HG2 ILE 47 -2.228 -9.417 13.389 351 HG22 ILE 47 2HG2 ILE 47 -0.864 -8.553 12.680 352 HG23 ILE 47 3HG2 ILE 47 -0.599 -10.080 13.520 353 HD11 ILE 47 3HD1 ILE 47 -0.882 -12.092 13.614 354 HD12 ILE 47 1HD1 ILE 47 -0.138 -12.668 12.123 355 HD13 ILE 47 2HD1 ILE 47 -1.513 -13.530 12.812 356 H VAL 48 H VAL 48 -2.070 -7.187 11.573 357 HA VAL 48 HA VAL 48 -0.877 -6.145 9.108 358 HB VAL 48 HB VAL 48 -1.714 -4.622 11.586 359 HG11 VAL 48 1HG1 VAL 48 -0.013 -3.480 10.268 360 HG12 VAL 48 2HG1 VAL 48 -1.564 -2.650 10.141 361 HG13 VAL 48 3HG1 VAL 48 -0.997 -3.666 8.816 362 HG21 VAL 48 3HG2 VAL 48 -3.651 -5.655 10.546 363 HG22 VAL 48 1HG2 VAL 48 -3.180 -5.003 8.977 364 HG23 VAL 48 2HG2 VAL 48 -3.667 -3.913 10.275 365 H VAL 49 H VAL 49 1.277 -5.990 8.951 366 HA VAL 49 HA VAL 49 2.847 -6.386 11.382 367 HB VAL 49 HB VAL 49 4.773 -6.738 9.841 368 HG11 VAL 49 1HG1 VAL 49 3.499 -8.617 10.703 369 HG12 VAL 49 2HG1 VAL 49 4.026 -8.936 9.051 370 HG13 VAL 49 3HG1 VAL 49 2.354 -8.475 9.369 371 HG21 VAL 49 3HG2 VAL 49 4.327 -7.094 7.456 372 HG22 VAL 49 1HG2 VAL 49 3.996 -5.430 7.937 373 HG23 VAL 49 2HG2 VAL 49 2.663 -6.557 7.691 374 H ASP 50 H ASP 50 2.317 -3.976 8.882 375 HA ASP 50 HA ASP 50 3.661 -1.999 10.497 376 HB2 ASP 50 1HB ASP 50 5.490 -3.092 9.140 377 HB3 ASP 50 2HB ASP 50 4.688 -2.491 7.693 378 H THR 51 H THR 51 2.872 0.019 10.150 379 HA THR 51 HA THR 51 1.035 0.400 7.870 380 HB THR 51 HB THR 51 0.617 1.465 10.673 381 HG1 THR 51 HG1 THR 51 0.178 -0.709 10.768 382 HG21 THR 51 3HG2 THR 51 -1.603 2.086 9.853 383 HG22 THR 51 1HG2 THR 51 -1.188 1.479 8.250 384 HG23 THR 51 2HG2 THR 51 -0.337 2.875 8.912 385 H GLN 52 H GLN 52 1.600 2.103 6.646 386 HA GLN 52 HA GLN 52 3.300 4.168 7.885 387 HB2 GLN 52 1HB GLN 52 4.218 2.651 5.982 388 HB3 GLN 52 2HB GLN 52 3.217 3.642 4.929 389 HG2 GLN 52 1HG GLN 52 4.413 5.637 6.016 390 HG3 GLN 52 2HG GLN 52 5.579 4.440 6.580 391 HE21 GLN 52 2HE2 GLN 52 4.263 6.088 3.834 392 HE22 GLN 52 1HE2 GLN 52 5.501 5.639 2.715 393 H THR 53 H THR 53 2.131 5.928 8.289 394 HA THR 53 HA THR 53 -0.206 6.618 6.772 395 HB THR 53 HB THR 53 1.281 8.344 8.764 396 HG1 THR 53 HG1 THR 53 -0.979 6.733 9.367 397 HG21 THR 53 3HG2 THR 53 -1.606 8.351 7.867 398 HG22 THR 53 1HG2 THR 53 -0.381 9.530 7.398 399 HG23 THR 53 2HG2 THR 53 -0.896 9.414 9.082 400 H VAL 54 H VAL 54 -0.096 7.454 4.809 401 HA VAL 54 HA VAL 54 2.269 8.842 3.877 402 HB VAL 54 HB VAL 54 -0.338 8.379 2.415 403 HG11 VAL 54 1HG1 VAL 54 1.035 8.628 0.397 404 HG12 VAL 54 2HG1 VAL 54 2.437 8.985 1.404 405 HG13 VAL 54 3HG1 VAL 54 1.056 10.081 1.396 406 HG21 VAL 54 3HG2 VAL 54 0.709 6.405 1.425 407 HG22 VAL 54 1HG2 VAL 54 0.580 6.248 3.178 408 HG23 VAL 54 2HG2 VAL 54 2.133 6.644 2.439 409 H THR 55 H THR 55 2.362 11.011 3.269 410 HA THR 55 HA THR 55 0.873 12.820 4.826 411 HB THR 55 HB THR 55 2.437 13.478 2.322 412 HG1 THR 55 HG1 THR 55 3.243 12.757 4.926 413 HG21 THR 55 3HG2 THR 55 2.815 15.631 3.441 414 HG22 THR 55 1HG2 THR 55 1.809 15.106 4.791 415 HG23 THR 55 2HG2 THR 55 1.094 15.329 3.194 416 H SER 56 H SER 56 0.702 12.077 1.346 417 HA SER 56 HA SER 56 -2.069 12.435 1.107 418 HB2 SER 56 1HB SER 56 -1.428 14.835 1.525 419 HB3 SER 56 2HB SER 56 -0.456 14.781 0.056 420 HG SER 56 HG SER 56 -2.252 14.684 -1.159 421 H LEU 57 H LEU 57 -2.733 12.359 -1.232 422 HA LEU 57 HA LEU 57 -0.539 11.736 -3.060 423 HB2 LEU 57 1HB LEU 57 -1.440 9.602 -2.092 424 HB3 LEU 57 2HB LEU 57 -2.979 9.976 -2.849 425 HG LEU 57 HG LEU 57 -2.006 9.821 -5.051 426 HD11 LEU 57 1HD1 LEU 57 0.613 9.322 -3.642 427 HD12 LEU 57 2HD1 LEU 57 0.175 10.785 -4.523 428 HD13 LEU 57 3HD1 LEU 57 0.340 9.255 -5.384 429 HD21 LEU 57 3HD2 LEU 57 -1.263 7.458 -5.042 430 HD22 LEU 57 1HD2 LEU 57 -2.734 7.725 -4.112 431 HD23 LEU 57 2HD2 LEU 57 -1.196 7.518 -3.281 432 H GLU 58 H GLU 58 -0.717 13.187 -4.567 433 HA GLU 58 HA GLU 58 -3.161 14.490 -5.247 434 HB2 GLU 58 1HB GLU 58 -0.477 14.573 -6.639 435 HB3 GLU 58 2HB GLU 58 -1.802 15.699 -6.889 436 HG2 GLU 58 1HG GLU 58 -0.497 16.907 -5.474 437 HG3 GLU 58 2HG GLU 58 -1.546 16.099 -4.316 438 H SER 59 H SER 59 -3.598 14.765 -7.752 439 HA SER 59 HA SER 59 -4.430 12.163 -8.613 440 HB2 SER 59 1HB SER 59 -5.379 13.428 -10.572 441 HB3 SER 59 2HB SER 59 -5.936 13.990 -8.995 442 HG SER 59 HG SER 59 -4.247 15.226 -10.852 443 H GLU 60 H GLU 60 -3.469 10.826 -9.962 444 HA GLU 60 HA GLU 60 -2.083 9.925 -11.498 445 HB2 GLU 60 1HB GLU 60 -1.744 12.780 -12.425 446 HB3 GLU 60 2HB GLU 60 -1.152 11.367 -13.289 447 HG2 GLU 60 1HG GLU 60 -3.429 10.559 -13.556 448 HG3 GLU 60 2HG GLU 60 -4.036 11.949 -12.660 449 H ASN 61 H ASN 61 -1.178 11.195 -8.882 450 HA ASN 61 HA ASN 61 1.710 11.138 -9.445 451 HB2 ASN 61 1HB ASN 61 0.872 13.222 -8.346 452 HB3 ASN 61 2HB ASN 61 0.311 12.243 -6.994 453 HD21 ASN 61 2HD2 ASN 61 1.651 13.336 -5.546 454 HD22 ASN 61 1HD2 ASN 61 3.365 13.081 -5.521 455 H SER 62 H SER 62 3.019 9.802 -8.069 456 HA SER 62 HA SER 62 1.436 7.646 -6.838 457 HB2 SER 62 1HB SER 62 4.161 7.055 -7.858 458 HB3 SER 62 2HB SER 62 2.702 6.060 -7.874 459 HG SER 62 HG SER 62 1.901 7.424 -9.563 460 H THR 63 H THR 63 2.335 6.582 -5.025 461 HA THR 63 HA THR 63 4.592 7.961 -3.733 462 HB THR 63 HB THR 63 2.034 7.055 -2.390 463 HG1 THR 63 HG1 THR 63 2.726 9.348 -3.527 464 HG21 THR 63 3HG2 THR 63 4.513 8.278 -1.165 465 HG22 THR 63 1HG2 THR 63 3.983 6.606 -0.967 466 HG23 THR 63 2HG2 THR 63 3.007 7.924 -0.320 467 H ASN 64 H ASN 64 6.121 6.668 -2.901 468 HA ASN 64 HA ASN 64 5.710 3.776 -3.053 469 HB2 ASN 64 1HB ASN 64 8.064 5.571 -3.155 470 HB3 ASN 64 2HB ASN 64 8.307 4.028 -2.342 471 HD21 ASN 64 2HD2 ASN 64 9.714 3.337 -3.940 472 HD22 ASN 64 1HD2 ASN 64 9.163 2.845 -5.509 473 H VAL 65 H VAL 65 5.259 2.656 -1.333 474 HA VAL 65 HA VAL 65 5.731 3.816 1.330 475 HB VAL 65 HB VAL 65 3.982 1.448 0.651 476 HG11 VAL 65 1HG1 VAL 65 4.644 1.590 2.975 477 HG12 VAL 65 2HG1 VAL 65 2.926 1.948 2.804 478 HG13 VAL 65 3HG1 VAL 65 4.079 3.259 3.057 479 HG21 VAL 65 3HG2 VAL 65 3.182 4.349 0.863 480 HG22 VAL 65 1HG2 VAL 65 2.064 2.988 0.763 481 HG23 VAL 65 2HG2 VAL 65 3.139 3.346 -0.588 482 H ASP 66 H ASP 66 7.398 2.997 2.466 483 HA ASP 66 HA ASP 66 8.386 0.331 1.715 484 HB2 ASP 66 1HB ASP 66 9.847 2.712 2.863 485 HB3 ASP 66 2HB ASP 66 10.548 1.098 2.811 486 H PHE 67 H PHE 67 7.747 -1.175 3.063 487 HA PHE 67 HA PHE 67 7.042 -0.483 5.808 488 HB2 PHE 67 1HB PHE 67 6.731 -3.097 4.316 489 HB3 PHE 67 2HB PHE 67 6.093 -2.746 5.916 490 HD1 PHE 67 HD1 PHE 67 4.445 -0.750 6.078 491 HD2 PHE 67 HD2 PHE 67 5.432 -2.759 2.458 492 HE1 PHE 67 HE1 PHE 67 2.347 0.040 5.066 493 HE2 PHE 67 HE2 PHE 67 3.337 -1.967 1.439 494 HZ PHE 67 HZ PHE 67 1.793 -0.566 2.745 495 H HIS 68 H HIS 68 7.736 -1.740 7.597 496 HA HIS 68 HA HIS 68 10.426 -2.931 7.261 497 HB2 HIS 68 1HB HIS 68 9.165 -1.922 9.828 498 HB3 HIS 68 2HB HIS 68 10.835 -2.422 9.596 499 HD1 HIS 68 HD1 HIS 68 12.429 -0.733 8.420 500 HD2 HIS 68 HD2 HIS 68 8.556 0.668 9.007 501 HE1 HIS 68 HE1 HIS 68 12.534 1.747 8.017 502 HE2 HIS 68 HE2 HIS 68 10.234 2.595 8.607 503 H TRP 69 H TRP 69 10.067 -5.060 6.919 504 HA TRP 69 HA TRP 69 8.196 -6.408 8.744 505 HB2 TRP 69 1HB TRP 69 7.313 -6.454 6.494 506 HB3 TRP 69 2HB TRP 69 8.847 -7.037 5.857 507 HD1 TRP 69 HD1 TRP 69 7.621 -8.685 9.030 508 HE1 TRP 69 HE1 TRP 69 6.859 -11.088 8.501 509 HE3 TRP 69 HE3 TRP 69 7.725 -8.466 3.917 510 HZ2 TRP 69 HZ2 TRP 69 6.379 -12.677 6.222 511 HZ3 TRP 69 HZ3 TRP 69 7.097 -10.475 2.644 512 HH2 TRP 69 HH2 TRP 69 6.434 -12.530 3.773 513 H THR 70 H THR 70 9.386 -7.353 10.260 514 HA THR 70 HA THR 70 11.925 -8.597 9.673 515 HB THR 70 HB THR 70 10.298 -8.873 12.207 516 HG1 THR 70 HG1 THR 70 11.664 -6.694 11.158 517 HG21 THR 70 3HG2 THR 70 12.209 -10.389 11.988 518 HG22 THR 70 1HG2 THR 70 12.503 -9.186 13.243 519 HG23 THR 70 2HG2 THR 70 13.269 -9.018 11.663 520 H LEU 71 H LEU 71 12.006 -10.540 8.693 521 HA LEU 71 HA LEU 71 9.683 -12.189 8.470 522 HB2 LEU 71 1HB LEU 71 12.100 -11.939 7.097 523 HB3 LEU 71 2HB LEU 71 12.164 -13.537 7.812 524 HG LEU 71 HG LEU 71 11.257 -13.860 5.669 525 HD11 LEU 71 1HD1 LEU 71 8.973 -14.609 6.044 526 HD12 LEU 71 2HD1 LEU 71 8.926 -13.713 7.562 527 HD13 LEU 71 3HD1 LEU 71 10.034 -15.073 7.374 528 HD21 LEU 71 3HD2 LEU 71 9.368 -11.584 6.208 529 HD22 LEU 71 1HD2 LEU 71 9.431 -12.564 4.741 530 HD23 LEU 71 2HD2 LEU 71 10.793 -11.525 5.168 531 H ASP 72 H ASP 72 9.001 -13.684 9.836 532 HA ASP 72 HA ASP 72 10.666 -14.518 12.049 533 HB2 ASP 72 1HB ASP 72 8.682 -15.587 12.911 534 HB3 ASP 72 2HB ASP 72 8.229 -13.994 12.317 535 H GLY 73 H GLY 73 9.248 -15.896 9.130 536 HA2 GLY 73 1HA GLY 73 10.267 -17.511 7.786 537 HA3 GLY 73 2HA GLY 73 11.392 -17.857 9.090 538 H THR 74 H THR 74 7.856 -18.022 8.636 539 HA THR 74 HA THR 74 7.971 -20.735 9.777 540 HB THR 74 HB THR 74 5.401 -20.262 10.048 541 HG1 THR 74 HG1 THR 74 6.195 -17.619 10.530 542 HG21 THR 74 3HG2 THR 74 5.821 -19.379 12.298 543 HG22 THR 74 1HG2 THR 74 7.477 -18.994 11.835 544 HG23 THR 74 2HG2 THR 74 6.947 -20.675 11.895 545 H ALA 75 H ALA 75 6.834 -18.804 7.089 546 HA ALA 75 HA ALA 75 5.898 -21.284 5.803 547 HB1 ALA 75 3HB ALA 75 4.175 -19.997 4.656 548 HB2 ALA 75 1HB ALA 75 4.703 -18.531 5.484 549 HB3 ALA 75 2HB ALA 75 4.001 -19.860 6.406 550 H ASN 76 H ASN 76 5.878 -21.134 3.391 551 HA ASN 76 HA ASN 76 8.270 -19.698 2.471 552 HB2 ASN 76 1HB ASN 76 6.809 -22.094 1.370 553 HB3 ASN 76 2HB ASN 76 8.019 -21.221 0.436 554 HD21 ASN 76 2HD2 ASN 76 7.441 -23.396 3.047 555 HD22 ASN 76 1HD2 ASN 76 9.097 -23.788 3.357 556 H SER 77 H SER 77 5.007 -19.373 2.542 557 HA SER 77 HA SER 77 5.081 -17.401 0.402 558 HB2 SER 77 1HB SER 77 2.907 -19.508 0.580 559 HB3 SER 77 2HB SER 77 3.005 -18.201 -0.600 560 HG SER 77 HG SER 77 5.285 -19.395 -0.807 561 H TYR 78 H TYR 78 4.517 -15.591 1.376 562 HA TYR 78 HA TYR 78 2.543 -15.697 3.559 563 HB2 TYR 78 1HB TYR 78 4.708 -13.706 2.885 564 HB3 TYR 78 2HB TYR 78 3.437 -13.358 4.049 565 HD1 TYR 78 HD2 TYR 78 6.055 -15.941 3.340 566 HD2 TYR 78 HD1 TYR 78 3.808 -13.835 6.269 567 HE1 TYR 78 HE2 TYR 78 7.383 -16.999 5.116 568 HE2 TYR 78 HE1 TYR 78 5.128 -14.884 8.051 569 HH TYR 78 HH TYR 78 6.690 -16.386 8.552 570 H THR 79 H THR 79 0.693 -14.498 3.475 571 HA THR 79 HA THR 79 -0.031 -13.530 0.822 572 HB THR 79 HB THR 79 -1.825 -13.721 3.248 573 HG1 THR 79 HG1 THR 79 -1.408 -15.804 3.042 574 HG21 THR 79 3HG2 THR 79 -3.601 -13.901 1.569 575 HG22 THR 79 1HG2 THR 79 -2.404 -13.757 0.283 576 HG23 THR 79 2HG2 THR 79 -2.693 -12.402 1.373 577 H LEU 80 H LEU 80 1.078 -11.558 0.717 578 HA LEU 80 HA LEU 80 0.643 -9.615 2.827 579 HB2 LEU 80 1HB LEU 80 2.538 -9.907 0.589 580 HB3 LEU 80 2HB LEU 80 2.089 -8.262 1.001 581 HG LEU 80 HG LEU 80 2.844 -8.621 3.307 582 HD11 LEU 80 1HD1 LEU 80 4.087 -10.647 3.902 583 HD12 LEU 80 2HD1 LEU 80 3.674 -11.354 2.341 584 HD13 LEU 80 3HD1 LEU 80 2.404 -11.003 3.512 585 HD21 LEU 80 3HD2 LEU 80 4.885 -9.373 1.224 586 HD22 LEU 80 1HD2 LEU 80 5.240 -8.763 2.840 587 HD23 LEU 80 2HD2 LEU 80 4.406 -7.736 1.673 588 H THR 81 H THR 81 -0.839 -8.124 2.784 589 HA THR 81 HA THR 81 -2.056 -7.402 0.198 590 HB THR 81 HB THR 81 -3.454 -7.623 2.873 591 HG1 THR 81 HG1 THR 81 -2.877 -9.625 1.677 592 HG21 THR 81 3HG2 THR 81 -4.400 -5.849 1.484 593 HG22 THR 81 1HG2 THR 81 -5.508 -7.217 1.583 594 HG23 THR 81 2HG2 THR 81 -4.540 -6.969 0.129 595 H VAL 82 H VAL 82 -1.811 -5.340 -0.296 596 HA VAL 82 HA VAL 82 -1.146 -3.411 1.794 597 HB VAL 82 HB VAL 82 -1.361 -3.006 -1.198 598 HG11 VAL 82 1HG1 VAL 82 -0.184 -0.895 -0.786 599 HG12 VAL 82 2HG1 VAL 82 -0.244 -1.204 0.950 600 HG13 VAL 82 3HG1 VAL 82 -1.736 -0.944 0.049 601 HG21 VAL 82 3HG2 VAL 82 0.459 -4.516 -0.659 602 HG22 VAL 82 1HG2 VAL 82 1.062 -3.390 0.558 603 HG23 VAL 82 2HG2 VAL 82 1.104 -2.947 -1.148 604 H ASN 83 H ASN 83 -2.971 -2.982 2.945 605 HA ASN 83 HA ASN 83 -5.411 -2.345 1.460 606 HB2 ASN 83 1HB ASN 83 -5.475 -3.792 3.543 607 HB3 ASN 83 2HB ASN 83 -5.071 -2.345 4.464 608 HD21 ASN 83 2HD2 ASN 83 -6.587 -0.637 4.554 609 HD22 ASN 83 1HD2 ASN 83 -8.259 -0.894 4.187 610 H VAL 84 H VAL 84 -5.693 -0.358 0.807 611 HA VAL 84 HA VAL 84 -4.125 1.788 1.907 612 HB VAL 84 HB VAL 84 -6.140 1.711 -0.335 613 HG11 VAL 84 1HG1 VAL 84 -6.227 3.908 0.736 614 HG12 VAL 84 2HG1 VAL 84 -5.467 4.006 -0.853 615 HG13 VAL 84 3HG1 VAL 84 -4.474 4.045 0.605 616 HG21 VAL 84 3HG2 VAL 84 -4.191 2.023 -1.745 617 HG22 VAL 84 1HG2 VAL 84 -3.962 0.609 -0.714 618 HG23 VAL 84 2HG2 VAL 84 -3.150 2.129 -0.325 619 H ASP 85 H ASP 85 -4.660 2.610 3.703 620 HA ASP 85 HA ASP 85 -5.748 3.363 5.511 621 HB2 ASP 85 1HB ASP 85 -6.062 5.194 3.757 622 HB3 ASP 85 2HB ASP 85 -7.730 4.634 3.649 623 HA PRO 86 HA PRO 86 -8.819 0.031 5.864 624 HB2 PRO 86 1HB PRO 86 -7.968 0.214 8.680 625 HB3 PRO 86 2HB PRO 86 -7.986 -1.183 7.602 626 HG2 PRO 86 1HG PRO 86 -5.690 -0.010 8.342 627 HG3 PRO 86 2HG PRO 86 -5.906 -0.701 6.724 628 HD2 PRO 86 1HD PRO 86 -6.014 2.164 7.593 629 HD3 PRO 86 2HD PRO 86 -5.289 1.455 6.133 630 H GLU 87 H GLU 87 -8.584 3.158 7.091 631 HA GLU 87 HA GLU 87 -11.056 3.016 8.633 632 HB2 GLU 87 1HB GLU 87 -9.218 5.364 8.121 633 HB3 GLU 87 2HB GLU 87 -10.545 5.315 9.272 634 HG2 GLU 87 1HG GLU 87 -8.099 3.569 9.406 635 HG3 GLU 87 2HG GLU 87 -8.322 5.065 10.312 636 H ASN 88 H ASN 88 -9.851 3.933 5.554 637 HA ASN 88 HA ASN 88 -10.664 4.984 3.739 638 HB2 ASN 88 1HB ASN 88 -13.250 4.035 4.953 639 HB3 ASN 88 2HB ASN 88 -13.212 4.944 3.446 640 HD21 ASN 88 2HD2 ASN 88 -12.061 4.047 1.662 641 HD22 ASN 88 1HD2 ASN 88 -11.865 2.334 1.519 642 H ALA 89 H ALA 89 -9.822 6.646 5.642 643 HA ALA 89 HA ALA 89 -11.645 8.675 6.390 644 HB1 ALA 89 3HB ALA 89 -9.661 10.052 6.779 645 HB2 ALA 89 1HB ALA 89 -8.671 8.882 5.907 646 HB3 ALA 89 2HB ALA 89 -9.441 8.426 7.427 647 H VAL 90 H VAL 90 -9.989 7.939 3.453 648 HA VAL 90 HA VAL 90 -10.924 10.423 2.203 649 HB VAL 90 HB VAL 90 -9.169 8.295 0.958 650 HG11 VAL 90 1HG1 VAL 90 -10.299 9.748 -0.630 651 HG12 VAL 90 2HG1 VAL 90 -8.565 10.073 -0.611 652 HG13 VAL 90 3HG1 VAL 90 -9.677 11.171 0.208 653 HG21 VAL 90 3HG2 VAL 90 -7.259 9.763 1.453 654 HG22 VAL 90 1HG2 VAL 90 -8.027 9.157 2.920 655 HG23 VAL 90 2HG2 VAL 90 -8.320 10.813 2.388 656 H ASN 91 H ASN 91 -12.752 10.372 1.036 657 HA ASN 91 HA ASN 91 -14.138 7.908 0.540 658 HB2 ASN 91 1HB ASN 91 -15.340 10.019 1.015 659 HB3 ASN 91 2HB ASN 91 -14.732 10.694 -0.492 660 HD21 ASN 91 2HD2 ASN 91 -16.883 8.351 0.939 661 HD22 ASN 91 1HD2 ASN 91 -17.847 8.087 -0.469 662 H GLU 92 H GLU 92 -13.757 6.576 -1.112 663 HA GLU 92 HA GLU 92 -12.285 7.668 -3.410 664 HB2 GLU 92 1HB GLU 92 -12.004 4.956 -2.127 665 HB3 GLU 92 2HB GLU 92 -11.153 5.493 -3.570 666 HG2 GLU 92 1HG GLU 92 -10.036 7.227 -2.284 667 HG3 GLU 92 2HG GLU 92 -10.907 6.723 -0.835 668 H GLY 93 H GLY 93 -12.308 6.256 -5.302 669 HA2 GLY 93 1HA GLY 93 -14.843 5.979 -6.395 670 HA3 GLY 93 2HA GLY 93 -13.370 5.306 -7.062 671 H ASN 94 H ASN 94 -12.897 3.144 -6.766 672 HA ASN 94 HA ASN 94 -15.382 1.652 -6.592 673 HB2 ASN 94 1HB ASN 94 -14.292 -0.049 -7.859 674 HB3 ASN 94 2HB ASN 94 -13.860 1.500 -8.563 675 HD21 ASN 94 2HD2 ASN 94 -11.731 2.275 -8.285 676 HD22 ASN 94 1HD2 ASN 94 -10.443 1.201 -7.890 677 H GLU 95 H GLU 95 -14.331 -0.929 -6.165 678 HA GLU 95 HA GLU 95 -14.235 -0.833 -3.239 679 HB2 GLU 95 1HB GLU 95 -14.980 -3.075 -5.126 680 HB3 GLU 95 2HB GLU 95 -15.044 -3.165 -3.373 681 HG2 GLU 95 1HG GLU 95 -16.635 -1.200 -5.000 682 HG3 GLU 95 2HG GLU 95 -17.235 -2.782 -4.501 683 H SER 96 H SER 96 -12.522 -2.174 -6.013 684 HA SER 96 HA SER 96 -10.957 -3.976 -4.367 685 HB2 SER 96 1HB SER 96 -10.725 -3.424 -7.332 686 HB3 SER 96 2HB SER 96 -10.061 -4.806 -6.457 687 HG SER 96 HG SER 96 -12.199 -5.459 -6.003 688 H ASN 97 H ASN 97 -10.747 -0.774 -5.067 689 HA ASN 97 HA ASN 97 -8.005 -0.491 -5.776 690 HB2 ASN 97 1HB ASN 97 -8.352 1.900 -5.265 691 HB3 ASN 97 2HB ASN 97 -9.618 1.254 -6.300 692 HD21 ASN 97 2HD2 ASN 97 -9.645 3.577 -4.565 693 HD22 ASN 97 1HD2 ASN 97 -10.954 3.341 -3.464 694 H ASN 98 H ASN 98 -9.726 -0.619 -2.721 695 HA ASN 98 HA ASN 98 -7.530 0.433 -1.214 696 HB2 ASN 98 1HB ASN 98 -10.146 -0.828 -0.440 697 HB3 ASN 98 2HB ASN 98 -8.926 -0.442 0.766 698 HD21 ASN 98 2HD2 ASN 98 -8.000 1.974 -0.470 699 HD22 ASN 98 1HD2 ASN 98 -9.249 3.159 -0.295 700 H THR 99 H THR 99 -7.787 -2.499 -2.694 701 HA THR 99 HA THR 99 -6.060 -3.708 -0.657 702 HB THR 99 HB THR 99 -7.232 -5.947 -1.416 703 HG1 THR 99 HG1 THR 99 -9.507 -4.287 -1.412 704 HG21 THR 99 3HG2 THR 99 -8.651 -5.805 0.570 705 HG22 THR 99 1HG2 THR 99 -8.418 -4.057 0.615 706 HG23 THR 99 2HG2 THR 99 -7.047 -5.136 0.878 707 H LEU 100 H LEU 100 -4.244 -4.464 -1.420 708 HA LEU 100 HA LEU 100 -4.244 -5.740 -4.071 709 HB2 LEU 100 1HB LEU 100 -2.921 -3.699 -4.233 710 HB3 LEU 100 2HB LEU 100 -2.011 -4.145 -2.802 711 HG LEU 100 HG LEU 100 -1.233 -6.190 -4.115 712 HD11 LEU 100 1HD1 LEU 100 -1.284 -5.978 -6.547 713 HD12 LEU 100 2HD1 LEU 100 -2.306 -4.547 -6.399 714 HD13 LEU 100 3HD1 LEU 100 -2.903 -6.120 -5.866 715 HD21 LEU 100 3HD2 LEU 100 -0.412 -3.435 -5.017 716 HD22 LEU 100 1HD2 LEU 100 0.520 -4.914 -5.256 717 HD23 LEU 100 2HD2 LEU 100 0.218 -4.318 -3.625 718 H THR 101 H THR 101 -4.473 -7.814 -3.376 719 HA THR 101 HA THR 101 -2.716 -8.780 -1.248 720 HB THR 101 HB THR 101 -5.014 -10.148 -2.663 721 HG1 THR 101 HG1 THR 101 -4.778 -9.165 0.011 722 HG21 THR 101 3HG2 THR 101 -3.343 -11.776 -1.920 723 HG22 THR 101 1HG2 THR 101 -4.803 -11.879 -0.936 724 HG23 THR 101 2HG2 THR 101 -3.367 -11.073 -0.303 725 H ALA 102 H ALA 102 -0.770 -9.293 -1.911 726 HA ALA 102 HA ALA 102 -0.491 -10.877 -4.380 727 HB1 ALA 102 3HB ALA 102 1.720 -9.840 -4.679 728 HB2 ALA 102 1HB ALA 102 1.429 -8.830 -3.264 729 HB3 ALA 102 2HB ALA 102 0.426 -8.642 -4.702 730 H LEU 103 H LEU 103 0.619 -12.755 -4.200 731 HA LEU 103 HA LEU 103 1.387 -13.565 -1.529 732 HB2 LEU 103 1HB LEU 103 1.298 -15.043 -4.149 733 HB3 LEU 103 2HB LEU 103 1.867 -15.764 -2.655 734 HG LEU 103 HG LEU 103 -0.908 -14.690 -3.136 735 HD11 LEU 103 1HD1 LEU 103 0.120 -17.509 -2.897 736 HD12 LEU 103 2HD1 LEU 103 -0.479 -16.739 -4.366 737 HD13 LEU 103 3HD1 LEU 103 -1.577 -17.042 -3.019 738 HD21 LEU 103 3HD2 LEU 103 -1.443 -15.680 -0.973 739 HD22 LEU 103 1HD2 LEU 103 -0.206 -14.434 -0.812 740 HD23 LEU 103 2HD2 LEU 103 0.247 -16.138 -0.756 741 H VAL 104 H VAL 104 3.309 -13.324 -0.759 742 HA VAL 104 HA VAL 104 5.561 -13.087 -2.632 743 HB VAL 104 HB VAL 104 6.828 -11.970 -0.866 744 HG11 VAL 104 1HG1 VAL 104 5.587 -9.870 -0.780 745 HG12 VAL 104 2HG1 VAL 104 4.124 -10.711 -1.301 746 HG13 VAL 104 3HG1 VAL 104 5.513 -10.599 -2.386 747 HG21 VAL 104 3HG2 VAL 104 5.675 -11.207 1.192 748 HG22 VAL 104 1HG2 VAL 104 5.914 -12.954 1.117 749 HG23 VAL 104 2HG2 VAL 104 4.326 -12.267 0.780 750 H GLY 105 H GLY 105 7.206 -14.505 -2.553 751 HA2 GLY 105 1HA GLY 105 6.796 -16.764 -0.699 752 HA3 GLY 105 2HA GLY 105 7.480 -16.906 -2.312 753 H THR 106 H THR 106 8.877 -18.059 -0.371 754 HA THR 106 HA THR 106 10.844 -16.282 0.711 755 HB THR 106 HB THR 106 12.060 -18.437 1.243 756 HG1 THR 106 HG1 THR 106 10.315 -20.241 1.079 757 HG21 THR 106 3HG2 THR 106 10.632 -17.332 2.873 758 HG22 THR 106 1HG2 THR 106 10.444 -19.082 2.996 759 HG23 THR 106 2HG2 THR 106 9.208 -18.112 2.188 760 H LEU 107 H LEU 107 12.749 -15.711 -0.110 761 HA LEU 107 HA LEU 107 13.106 -15.820 -2.895 762 HB2 LEU 107 1HB LEU 107 13.899 -14.001 -1.418 763 HB3 LEU 107 2HB LEU 107 15.108 -15.083 -0.757 764 HG LEU 107 HG LEU 107 16.218 -15.211 -2.931 765 HD11 LEU 107 1HD1 LEU 107 14.096 -13.277 -3.848 766 HD12 LEU 107 2HD1 LEU 107 14.260 -14.957 -4.359 767 HD13 LEU 107 3HD1 LEU 107 15.507 -13.782 -4.776 768 HD21 LEU 107 3HD2 LEU 107 15.661 -12.376 -2.061 769 HD22 LEU 107 1HD2 LEU 107 17.024 -12.907 -3.046 770 HD23 LEU 107 2HD2 LEU 107 16.879 -13.451 -1.374 771 H GLU 108 H GLU 108 13.916 -17.338 -4.135 772 HA GLU 108 HA GLU 108 14.924 -19.784 -3.277 773 HB2 GLU 108 1HB GLU 108 14.069 -19.471 -5.532 774 HB3 GLU 108 2HB GLU 108 15.355 -18.329 -5.894 775 HG2 GLU 108 1HG GLU 108 16.840 -20.444 -5.209 776 HG3 GLU 108 2HG GLU 108 15.403 -21.277 -5.800 777 H HIS 109 H HIS 109 16.591 -16.899 -4.406 778 HA HIS 109 HA HIS 109 19.212 -17.958 -3.911 779 HB2 HIS 109 1HB HIS 109 18.335 -15.099 -4.427 780 HB3 HIS 109 2HB HIS 109 19.993 -15.692 -4.472 781 HD1 HIS 109 HD1 HIS 109 20.814 -16.665 -6.639 782 HD2 HIS 109 HD2 HIS 109 16.685 -16.121 -6.572 783 HE1 HIS 109 HE1 HIS 109 20.016 -17.171 -8.974 784 HE2 HIS 109 HE2 HIS 109 17.504 -17.039 -8.848 785 H HIS 110 H HIS 110 19.701 -18.395 -1.855 786 HA HIS 110 HA HIS 110 18.274 -17.366 0.322 787 HB2 HIS 110 1HB HIS 110 19.749 -19.521 0.063 788 HB3 HIS 110 2HB HIS 110 21.021 -18.483 0.703 789 HD1 HIS 110 HD1 HIS 110 17.657 -19.916 1.630 790 HD2 HIS 110 HD2 HIS 110 20.907 -18.030 3.418 791 HE1 HIS 110 HE1 HIS 110 17.264 -20.087 4.112 792 HE2 HIS 110 HE2 HIS 110 19.341 -19.118 5.167 793 H HIS 111 H HIS 111 21.184 -16.277 -1.218 794 HA HIS 111 HA HIS 111 20.920 -13.769 0.251 795 HB2 HIS 111 1HB HIS 111 23.584 -15.154 -0.196 796 HB3 HIS 111 2HB HIS 111 23.374 -13.532 0.449 797 HD1 HIS 111 HD1 HIS 111 23.894 -16.911 1.476 798 HD2 HIS 111 HD2 HIS 111 21.848 -13.644 3.037 799 HE1 HIS 111 HE1 HIS 111 23.584 -17.410 3.921 800 HE2 HIS 111 HE2 HIS 111 22.160 -15.527 4.790 801 H HIS 112 H HIS 112 21.569 -11.957 -1.044 802 HA HIS 112 HA HIS 112 21.535 -12.539 -3.876 803 HB2 HIS 112 1HB HIS 112 20.397 -10.521 -2.787 804 HB3 HIS 112 2HB HIS 112 22.010 -9.821 -2.657 805 HD1 HIS 112 HD1 HIS 112 22.616 -8.373 -4.569 806 HD2 HIS 112 HD2 HIS 112 19.887 -11.317 -5.655 807 HE1 HIS 112 HE1 HIS 112 22.094 -7.957 -6.999 808 HE2 HIS 112 HE2 HIS 112 20.350 -9.677 -7.600 809 H HIS 113 H HIS 113 23.405 -13.799 -3.843 810 HA HIS 113 HA HIS 113 25.860 -12.436 -4.421 811 HB2 HIS 113 1HB HIS 113 25.942 -12.471 -1.947 812 HB3 HIS 113 2HB HIS 113 25.680 -14.209 -1.961 813 HD1 HIS 113 HD1 HIS 113 27.832 -14.973 -0.945 814 HD2 HIS 113 HD2 HIS 113 28.416 -12.367 -4.140 815 HE1 HIS 113 HE1 HIS 113 30.306 -14.995 -1.399 816 HE2 HIS 113 HE2 HIS 113 30.604 -13.578 -3.456 817 H HIS 114 H HIS 114 23.929 -15.257 -3.914 818 HA HIS 114 HA HIS 114 25.484 -16.731 -5.919 819 HB2 HIS 114 1HB HIS 114 25.163 -18.068 -3.944 820 HB3 HIS 114 2HB HIS 114 23.455 -17.652 -3.868 821 HD1 HIS 114 HD1 HIS 114 22.023 -19.529 -4.573 822 HD2 HIS 114 HD2 HIS 114 25.643 -19.499 -6.630 823 HE1 HIS 114 HE1 HIS 114 21.949 -21.517 -6.113 824 HE2 HIS 114 HE2 HIS 114 24.205 -21.565 -7.233 Start of MODEL 6 1 H1 MET 1 1H MET 1 -15.832 15.714 -6.851 2 H2 MET 1 2H MET 1 -16.119 14.188 -7.534 3 H3 MET 1 3H MET 1 -16.083 15.565 -8.523 4 HA MET 1 HA MET 1 -14.049 14.309 -8.759 5 HB2 MET 1 1HB MET 1 -14.116 16.854 -8.821 6 HB3 MET 1 2HB MET 1 -13.525 16.827 -7.167 7 HG2 MET 1 1HG MET 1 -11.497 15.714 -7.878 8 HG3 MET 1 2HG MET 1 -12.097 15.635 -9.534 9 HE1 MET 1 3HE MET 1 -9.889 16.778 -10.452 10 HE2 MET 1 1HE MET 1 -9.238 16.855 -8.814 11 HE3 MET 1 2HE MET 1 -9.236 18.294 -9.833 12 H ILE 2 H ILE 2 -13.451 12.529 -7.714 13 HA ILE 2 HA ILE 2 -12.733 12.731 -4.857 14 HB ILE 2 HB ILE 2 -15.040 11.753 -5.308 15 HG12 ILE 2 1HG1 ILE 2 -13.117 9.844 -3.968 16 HG13 ILE 2 2HG1 ILE 2 -13.711 11.328 -3.225 17 HG21 ILE 2 1HG2 ILE 2 -15.138 9.423 -6.073 18 HG22 ILE 2 2HG2 ILE 2 -13.411 9.481 -6.432 19 HG23 ILE 2 3HG2 ILE 2 -14.532 10.513 -7.320 20 HD11 ILE 2 3HD1 ILE 2 -15.396 8.995 -4.104 21 HD12 ILE 2 1HD1 ILE 2 -15.992 10.478 -3.358 22 HD13 ILE 2 2HD1 ILE 2 -14.945 9.392 -2.445 23 HA PRO 3 HA PRO 3 -9.085 10.451 -6.168 24 HB2 PRO 3 1HB PRO 3 -8.884 9.349 -3.464 25 HB3 PRO 3 2HB PRO 3 -7.806 10.471 -4.295 26 HG2 PRO 3 1HG PRO 3 -9.368 11.233 -2.228 27 HG3 PRO 3 2HG PRO 3 -8.950 12.326 -3.561 28 HD2 PRO 3 1HD PRO 3 -11.478 10.791 -3.089 29 HD3 PRO 3 2HD PRO 3 -11.261 12.459 -3.663 30 H ASP 4 H ASP 4 -8.233 8.264 -6.284 31 HA ASP 4 HA ASP 4 -9.941 6.065 -5.465 32 HB2 ASP 4 1HB ASP 4 -10.656 6.890 -7.818 33 HB3 ASP 4 2HB ASP 4 -9.120 6.237 -8.367 34 H LEU 5 H LEU 5 -8.300 5.298 -4.181 35 HA LEU 5 HA LEU 5 -5.564 5.498 -5.119 36 HB2 LEU 5 1HB LEU 5 -6.690 4.536 -2.488 37 HB3 LEU 5 2HB LEU 5 -4.989 4.800 -2.830 38 HG LEU 5 HG LEU 5 -7.076 6.978 -2.939 39 HD11 LEU 5 1HD1 LEU 5 -6.182 7.737 -0.804 40 HD12 LEU 5 2HD1 LEU 5 -5.129 6.325 -0.735 41 HD13 LEU 5 3HD1 LEU 5 -6.880 6.124 -0.661 42 HD21 LEU 5 3HD2 LEU 5 -5.110 7.388 -4.310 43 HD22 LEU 5 1HD2 LEU 5 -4.066 7.055 -2.927 44 HD23 LEU 5 2HD2 LEU 5 -5.133 8.459 -2.907 45 H VAL 6 H VAL 6 -4.586 3.926 -6.167 46 HA VAL 6 HA VAL 6 -5.566 1.173 -5.782 47 HB VAL 6 HB VAL 6 -4.401 2.285 -8.336 48 HG11 VAL 6 1HG1 VAL 6 -5.303 0.239 -9.337 49 HG12 VAL 6 2HG1 VAL 6 -5.860 -0.289 -7.748 50 HG13 VAL 6 3HG1 VAL 6 -4.134 -0.119 -8.067 51 HG21 VAL 6 3HG2 VAL 6 -6.696 2.267 -9.218 52 HG22 VAL 6 1HG2 VAL 6 -6.508 3.409 -7.885 53 HG23 VAL 6 2HG2 VAL 6 -7.299 1.855 -7.613 54 HA PRO 7 HA PRO 7 -1.198 0.492 -4.685 55 HB2 PRO 7 1HB PRO 7 -1.727 -2.099 -3.913 56 HB3 PRO 7 2HB PRO 7 -1.806 -0.703 -2.833 57 HG2 PRO 7 1HG PRO 7 -4.009 -2.147 -4.233 58 HG3 PRO 7 2HG PRO 7 -3.977 -1.451 -2.602 59 HD2 PRO 7 1HD PRO 7 -5.215 -0.238 -4.673 60 HD3 PRO 7 2HD PRO 7 -4.435 0.674 -3.364 61 H VAL 8 H VAL 8 -0.010 0.172 -6.439 62 HA VAL 8 HA VAL 8 -1.120 -1.285 -8.685 63 HB VAL 8 HB VAL 8 1.536 0.136 -8.617 64 HG11 VAL 8 1HG1 VAL 8 1.160 -1.204 -10.587 65 HG12 VAL 8 2HG1 VAL 8 1.041 0.508 -11.005 66 HG13 VAL 8 3HG1 VAL 8 -0.422 -0.458 -10.826 67 HG21 VAL 8 3HG2 VAL 8 -0.127 1.675 -7.752 68 HG22 VAL 8 1HG2 VAL 8 -1.171 1.350 -9.136 69 HG23 VAL 8 2HG2 VAL 8 0.381 2.153 -9.372 70 H SER 9 H SER 9 1.839 -1.400 -6.705 71 HA SER 9 HA SER 9 2.183 -4.191 -7.418 72 HB2 SER 9 1HB SER 9 3.330 -2.862 -9.206 73 HB3 SER 9 2HB SER 9 4.380 -2.185 -7.965 74 HG SER 9 HG SER 9 4.411 -4.668 -9.164 75 H LEU 10 H LEU 10 3.780 -5.263 -6.149 76 HA LEU 10 HA LEU 10 4.728 -3.851 -3.761 77 HB2 LEU 10 1HB LEU 10 2.711 -4.980 -3.058 78 HB3 LEU 10 2HB LEU 10 3.219 -6.468 -3.832 79 HG LEU 10 HG LEU 10 5.104 -6.607 -2.196 80 HD11 LEU 10 1HD1 LEU 10 3.659 -4.316 -0.876 81 HD12 LEU 10 2HD1 LEU 10 5.268 -4.260 -1.598 82 HD13 LEU 10 3HD1 LEU 10 4.976 -5.251 -0.167 83 HD21 LEU 10 3HD2 LEU 10 2.323 -6.501 -1.044 84 HD22 LEU 10 1HD2 LEU 10 3.706 -7.323 -0.321 85 HD23 LEU 10 2HD2 LEU 10 3.059 -7.876 -1.867 86 H THR 11 H THR 11 6.878 -4.025 -3.858 87 HA THR 11 HA THR 11 8.025 -6.598 -4.706 88 HB THR 11 HB THR 11 8.111 -4.924 -6.565 89 HG1 THR 11 HG1 THR 11 9.979 -5.752 -7.146 90 HG21 THR 11 3HG2 THR 11 9.712 -3.071 -6.405 91 HG22 THR 11 1HG2 THR 11 9.970 -3.449 -4.702 92 HG23 THR 11 2HG2 THR 11 8.389 -2.891 -5.251 93 HA PRO 12 HA PRO 12 10.146 -7.277 -4.994 94 HB2 PRO 12 1HB PRO 12 11.449 -9.118 -3.203 95 HB3 PRO 12 2HB PRO 12 12.165 -8.148 -4.490 96 HG2 PRO 12 1HG PRO 12 12.646 -7.758 -1.816 97 HG3 PRO 12 2HG PRO 12 12.814 -6.502 -3.054 98 HD2 PRO 12 1HD PRO 12 10.569 -6.986 -1.136 99 HD3 PRO 12 2HD PRO 12 11.279 -5.449 -1.680 100 H VAL 13 H VAL 13 9.104 -9.121 -5.625 101 HA VAL 13 HA VAL 13 6.908 -10.046 -4.059 102 HB VAL 13 HB VAL 13 6.528 -11.671 -5.878 103 HG11 VAL 13 1HG1 VAL 13 7.137 -8.871 -6.817 104 HG12 VAL 13 2HG1 VAL 13 5.631 -9.422 -6.084 105 HG13 VAL 13 3HG1 VAL 13 6.119 -10.037 -7.664 106 HG21 VAL 13 3HG2 VAL 13 7.967 -11.640 -7.867 107 HG22 VAL 13 1HG2 VAL 13 8.843 -12.187 -6.436 108 HG23 VAL 13 2HG2 VAL 13 9.077 -10.546 -7.041 109 H THR 14 H THR 14 10.140 -10.768 -3.954 110 HA THR 14 HA THR 14 9.604 -13.232 -2.474 111 HB THR 14 HB THR 14 12.117 -13.648 -3.173 112 HG1 THR 14 HG1 THR 14 11.377 -12.637 -5.632 113 HG21 THR 14 3HG2 THR 14 10.278 -15.181 -3.638 114 HG22 THR 14 1HG2 THR 14 11.329 -15.029 -5.046 115 HG23 THR 14 2HG2 THR 14 9.780 -14.183 -5.005 116 H VAL 15 H VAL 15 10.471 -13.292 -0.450 117 HA VAL 15 HA VAL 15 12.124 -10.983 0.357 118 HB VAL 15 HB VAL 15 10.936 -11.104 2.577 119 HG11 VAL 15 1HG1 VAL 15 10.426 -9.367 0.945 120 HG12 VAL 15 2HG1 VAL 15 8.972 -9.862 1.811 121 HG13 VAL 15 3HG1 VAL 15 9.256 -10.430 0.166 122 HG21 VAL 15 3HG2 VAL 15 8.725 -12.167 2.622 123 HG22 VAL 15 1HG2 VAL 15 10.011 -13.349 2.368 124 HG23 VAL 15 2HG2 VAL 15 9.014 -12.823 1.010 125 H VAL 16 H VAL 16 13.502 -11.332 2.206 126 HA VAL 16 HA VAL 16 14.269 -14.136 2.490 127 HB VAL 16 HB VAL 16 16.317 -13.055 3.632 128 HG11 VAL 16 1HG1 VAL 16 15.855 -12.733 0.673 129 HG12 VAL 16 2HG1 VAL 16 16.391 -14.204 1.484 130 HG13 VAL 16 3HG1 VAL 16 17.429 -12.778 1.466 131 HG21 VAL 16 3HG2 VAL 16 15.278 -10.692 2.077 132 HG22 VAL 16 1HG2 VAL 16 16.870 -10.808 2.828 133 HG23 VAL 16 2HG2 VAL 16 15.419 -10.798 3.832 134 HA PRO 17 HA PRO 17 12.647 -13.994 6.617 135 HB2 PRO 17 1HB PRO 17 13.397 -16.446 7.398 136 HB3 PRO 17 2HB PRO 17 12.128 -16.210 6.190 137 HG2 PRO 17 1HG PRO 17 15.003 -16.935 5.802 138 HG3 PRO 17 2HG PRO 17 13.565 -17.585 4.995 139 HD2 PRO 17 1HD PRO 17 15.211 -15.669 3.912 140 HD3 PRO 17 2HD PRO 17 13.502 -15.874 3.478 141 H ASN 18 H ASN 18 13.473 -14.464 8.874 142 HA ASN 18 HA ASN 18 14.929 -14.141 10.586 143 HB2 ASN 18 1HB ASN 18 17.121 -14.852 8.622 144 HB3 ASN 18 2HB ASN 18 17.208 -14.928 10.379 145 HD21 ASN 18 2HD2 ASN 18 16.228 -16.498 7.499 146 HD22 ASN 18 1HD2 ASN 18 15.681 -17.981 8.221 147 H THR 19 H THR 19 14.254 -11.915 8.787 148 HA THR 19 HA THR 19 16.078 -9.979 9.771 149 HB THR 19 HB THR 19 17.477 -10.937 7.948 150 HG1 THR 19 HG1 THR 19 17.121 -8.526 6.789 151 HG21 THR 19 3HG2 THR 19 15.310 -9.875 6.137 152 HG22 THR 19 1HG2 THR 19 15.693 -11.575 6.408 153 HG23 THR 19 2HG2 THR 19 16.866 -10.523 5.615 154 H VAL 20 H VAL 20 15.598 -7.774 8.737 155 HA VAL 20 HA VAL 20 12.707 -7.545 8.430 156 HB VAL 20 HB VAL 20 14.791 -5.371 8.720 157 HG11 VAL 20 1HG1 VAL 20 12.891 -3.894 9.185 158 HG12 VAL 20 2HG1 VAL 20 11.779 -5.225 8.858 159 HG13 VAL 20 3HG1 VAL 20 12.792 -4.583 7.565 160 HG21 VAL 20 3HG2 VAL 20 12.888 -6.539 10.747 161 HG22 VAL 20 1HG2 VAL 20 13.958 -5.163 11.014 162 HG23 VAL 20 2HG2 VAL 20 14.637 -6.763 10.714 163 H ASN 21 H ASN 21 11.725 -7.119 6.568 164 HA ASN 21 HA ASN 21 13.404 -6.576 4.212 165 HB2 ASN 21 1HB ASN 21 10.678 -7.863 4.455 166 HB3 ASN 21 2HB ASN 21 11.410 -7.421 2.916 167 HD21 ASN 21 2HD2 ASN 21 11.558 -9.557 5.652 168 HD22 ASN 21 1HD2 ASN 21 12.635 -10.715 4.948 169 H THR 22 H THR 22 13.408 -4.524 3.611 170 HA THR 22 HA THR 22 11.152 -2.789 4.155 171 HB THR 22 HB THR 22 13.610 -2.124 2.523 172 HG1 THR 22 HG1 THR 22 14.198 -2.914 4.629 173 HG21 THR 22 3HG2 THR 22 11.776 -0.517 2.376 174 HG22 THR 22 1HG2 THR 22 13.130 0.167 3.275 175 HG23 THR 22 2HG2 THR 22 11.705 -0.418 4.135 176 H MET 23 H MET 23 9.457 -3.470 2.916 177 HA MET 23 HA MET 23 9.917 -4.074 0.097 178 HB2 MET 23 1HB MET 23 7.479 -4.492 1.828 179 HB3 MET 23 2HB MET 23 7.602 -4.951 0.134 180 HG2 MET 23 1HG MET 23 9.489 -6.436 0.724 181 HG3 MET 23 2HG MET 23 9.214 -6.048 2.422 182 HE1 MET 23 3HE MET 23 7.815 -7.795 -0.787 183 HE2 MET 23 1HE MET 23 6.614 -6.546 -0.467 184 HE3 MET 23 2HE MET 23 6.192 -8.244 -0.267 185 H THR 24 H THR 24 8.711 -3.159 -1.558 186 HA THR 24 HA THR 24 7.831 -0.420 -0.947 187 HB THR 24 HB THR 24 8.839 -1.499 -3.585 188 HG1 THR 24 HG1 THR 24 10.189 -0.268 -1.398 189 HG21 THR 24 3HG2 THR 24 9.146 0.870 -4.135 190 HG22 THR 24 1HG2 THR 24 8.464 1.320 -2.572 191 HG23 THR 24 2HG2 THR 24 7.458 0.505 -3.770 192 H ALA 25 H ALA 25 5.669 -0.282 -0.938 193 HA ALA 25 HA ALA 25 4.157 -1.703 -3.018 194 HB1 ALA 25 3HB ALA 25 3.180 -0.310 -0.526 195 HB2 ALA 25 1HB ALA 25 3.350 -2.052 -0.744 196 HB3 ALA 25 2HB ALA 25 2.167 -1.156 -1.696 197 H THR 26 H THR 26 3.861 -0.556 -4.799 198 HA THR 26 HA THR 26 4.132 2.321 -4.754 199 HB THR 26 HB THR 26 3.535 0.494 -7.094 200 HG1 THR 26 HG1 THR 26 6.043 1.623 -6.329 201 HG21 THR 26 3HG2 THR 26 4.570 3.332 -6.992 202 HG22 THR 26 1HG2 THR 26 2.964 2.834 -7.525 203 HG23 THR 26 2HG2 THR 26 4.388 2.357 -8.450 204 H ILE 27 H ILE 27 2.414 3.381 -3.997 205 HA ILE 27 HA ILE 27 -0.280 2.468 -4.702 206 HB ILE 27 HB ILE 27 0.494 4.699 -2.818 207 HG12 ILE 27 1HG1 ILE 27 1.467 2.662 -1.961 208 HG13 ILE 27 2HG1 ILE 27 0.056 3.069 -0.993 209 HG21 ILE 27 1HG2 ILE 27 -1.784 4.840 -3.609 210 HG22 ILE 27 2HG2 ILE 27 -1.760 4.365 -1.910 211 HG23 ILE 27 3HG2 ILE 27 -2.072 3.159 -3.158 212 HD11 ILE 27 3HD1 ILE 27 0.150 0.994 -3.169 213 HD12 ILE 27 1HD1 ILE 27 -1.240 1.376 -2.152 214 HD13 ILE 27 2HD1 ILE 27 0.217 0.682 -1.434 215 H GLU 28 H GLU 28 -1.199 3.338 -6.446 216 HA GLU 28 HA GLU 28 -0.369 6.053 -7.225 217 HB2 GLU 28 1HB GLU 28 0.222 4.214 -8.813 218 HB3 GLU 28 2HB GLU 28 -1.494 3.881 -9.000 219 HG2 GLU 28 1HG GLU 28 -1.861 6.035 -9.979 220 HG3 GLU 28 2HG GLU 28 -0.195 6.510 -9.655 221 H ASN 29 H ASN 29 -1.851 7.563 -6.998 222 HA ASN 29 HA ASN 29 -4.598 6.883 -6.427 223 HB2 ASN 29 1HB ASN 29 -3.606 8.758 -5.241 224 HB3 ASN 29 2HB ASN 29 -3.224 9.562 -6.759 225 HD21 ASN 29 2HD2 ASN 29 -4.370 11.380 -6.144 226 HD22 ASN 29 1HD2 ASN 29 -6.102 11.429 -6.140 227 H GLN 30 H GLN 30 -5.679 6.104 -8.139 228 HA GLN 30 HA GLN 30 -5.281 7.421 -10.732 229 HB2 GLN 30 1HB GLN 30 -6.470 4.709 -10.103 230 HB3 GLN 30 2HB GLN 30 -6.229 5.371 -11.717 231 HG2 GLN 30 1HG GLN 30 -3.799 5.468 -11.267 232 HG3 GLN 30 2HG GLN 30 -4.088 4.687 -9.715 233 HE21 GLN 30 2HE2 GLN 30 -2.489 3.818 -11.983 234 HE22 GLN 30 1HE2 GLN 30 -3.124 2.268 -12.448 235 H GLY 31 H GLY 31 -6.654 9.013 -9.322 236 HA2 GLY 31 1HA GLY 31 -9.389 8.782 -10.342 237 HA3 GLY 31 2HA GLY 31 -9.165 9.063 -8.618 238 H ASN 32 H ASN 32 -10.554 10.979 -9.635 239 HA ASN 32 HA ASN 32 -9.078 12.915 -11.129 240 HB2 ASN 32 1HB ASN 32 -11.781 12.979 -9.809 241 HB3 ASN 32 2HB ASN 32 -11.097 14.402 -10.580 242 HD21 ASN 32 2HD2 ASN 32 -10.739 11.078 -11.692 243 HD22 ASN 32 1HD2 ASN 32 -11.623 11.289 -13.162 244 H LYS 33 H LYS 33 -9.834 12.554 -7.707 245 HA LYS 33 HA LYS 33 -8.808 15.264 -7.245 246 HB2 LYS 33 1HB LYS 33 -10.985 14.971 -6.323 247 HB3 LYS 33 2HB LYS 33 -10.527 13.460 -5.551 248 HG2 LYS 33 1HG LYS 33 -9.073 14.648 -4.021 249 HG3 LYS 33 2HG LYS 33 -9.431 16.172 -4.834 250 HD2 LYS 33 1HD LYS 33 -11.664 16.160 -4.086 251 HD3 LYS 33 2HD LYS 33 -11.571 14.468 -3.594 252 HE2 LYS 33 1HE LYS 33 -11.499 16.085 -1.701 253 HE3 LYS 33 2HE LYS 33 -10.114 15.002 -1.778 254 HZ1 LYS 33 3HZ LYS 33 -9.602 17.390 -1.303 255 HZ2 LYS 33 1HZ LYS 33 -10.076 17.751 -2.888 256 HZ3 LYS 33 2HZ LYS 33 -8.754 16.726 -2.610 257 H ASP 34 H ASP 34 -7.256 15.740 -5.808 258 HA ASP 34 HA ASP 34 -5.188 13.912 -5.239 259 HB2 ASP 34 1HB ASP 34 -4.613 16.203 -5.416 260 HB3 ASP 34 2HB ASP 34 -5.878 16.691 -4.297 261 H SER 35 H SER 35 -4.728 12.726 -3.449 262 HA SER 35 HA SER 35 -6.723 12.737 -1.293 263 HB2 SER 35 1HB SER 35 -5.681 10.479 -0.736 264 HB3 SER 35 2HB SER 35 -6.579 10.564 -2.251 265 HG SER 35 HG SER 35 -3.944 11.213 -2.550 266 H THR 36 H THR 36 -6.129 13.137 0.781 267 HA THR 36 HA THR 36 -3.468 14.250 1.155 268 HB THR 36 HB THR 36 -5.606 14.197 3.270 269 HG1 THR 36 HG1 THR 36 -6.373 14.984 1.096 270 HG21 THR 36 3HG2 THR 36 -3.389 15.065 3.872 271 HG22 THR 36 1HG2 THR 36 -4.597 16.351 3.885 272 HG23 THR 36 2HG2 THR 36 -3.473 16.210 2.533 273 H SER 37 H SER 37 -4.198 13.459 4.186 274 HA SER 37 HA SER 37 -2.213 11.408 4.224 275 HB2 SER 37 1HB SER 37 -3.897 12.510 6.482 276 HB3 SER 37 2HB SER 37 -2.430 11.541 6.652 277 HG SER 37 HG SER 37 -1.775 13.507 5.064 278 H PHE 38 H PHE 38 -2.690 9.427 3.647 279 HA PHE 38 HA PHE 38 -5.104 8.175 4.777 280 HB2 PHE 38 1HB PHE 38 -5.293 6.800 2.787 281 HB3 PHE 38 2HB PHE 38 -5.258 8.493 2.307 282 HD1 PHE 38 HD1 PHE 38 -2.971 9.434 1.537 283 HD2 PHE 38 HD2 PHE 38 -3.858 5.286 1.830 284 HE1 PHE 38 HE1 PHE 38 -1.106 8.927 0.010 285 HE2 PHE 38 HE2 PHE 38 -2.005 4.781 0.304 286 HZ PHE 38 HZ PHE 38 -0.616 6.580 -0.587 287 H ASN 39 H ASN 39 -4.848 5.957 5.424 288 HA ASN 39 HA ASN 39 -2.085 5.487 6.292 289 HB2 ASN 39 1HB ASN 39 -4.408 5.538 7.723 290 HB3 ASN 39 2HB ASN 39 -4.234 3.814 7.417 291 HD21 ASN 39 2HD2 ASN 39 -4.069 5.273 9.908 292 HD22 ASN 39 1HD2 ASN 39 -2.492 4.942 10.555 293 H VAL 40 H VAL 40 -0.928 4.001 5.176 294 HA VAL 40 HA VAL 40 -2.431 1.957 3.699 295 HB VAL 40 HB VAL 40 0.229 3.265 3.208 296 HG11 VAL 40 1HG1 VAL 40 -0.512 0.516 2.182 297 HG12 VAL 40 2HG1 VAL 40 0.784 0.868 3.327 298 HG13 VAL 40 3HG1 VAL 40 0.877 1.477 1.674 299 HG21 VAL 40 3HG2 VAL 40 -1.783 3.974 2.036 300 HG22 VAL 40 1HG2 VAL 40 -2.021 2.332 1.437 301 HG23 VAL 40 2HG2 VAL 40 -0.609 3.260 0.929 302 H SER 41 H SER 41 -2.678 0.128 4.653 303 HA SER 41 HA SER 41 -0.718 -0.741 6.656 304 HB2 SER 41 1HB SER 41 -2.616 -2.281 7.368 305 HB3 SER 41 2HB SER 41 -2.898 -0.558 7.606 306 HG SER 41 HG SER 41 -3.692 -1.477 5.144 307 H LEU 42 H LEU 42 0.490 -2.498 6.323 308 HA LEU 42 HA LEU 42 -0.106 -4.173 3.995 309 HB2 LEU 42 1HB LEU 42 2.179 -3.321 4.156 310 HB3 LEU 42 2HB LEU 42 2.349 -4.040 5.747 311 HG LEU 42 HG LEU 42 2.120 -6.284 4.751 312 HD11 LEU 42 1HD1 LEU 42 2.127 -4.810 2.122 313 HD12 LEU 42 2HD1 LEU 42 0.763 -5.687 2.815 314 HD13 LEU 42 3HD1 LEU 42 2.219 -6.560 2.330 315 HD21 LEU 42 3HD2 LEU 42 4.332 -5.335 5.096 316 HD22 LEU 42 1HD2 LEU 42 4.265 -4.576 3.504 317 HD23 LEU 42 2HD2 LEU 42 4.295 -6.334 3.642 318 H LEU 43 H LEU 43 -1.426 -5.791 4.419 319 HA LEU 43 HA LEU 43 -1.353 -7.036 7.064 320 HB2 LEU 43 1HB LEU 43 -3.336 -7.389 4.813 321 HB3 LEU 43 2HB LEU 43 -3.450 -8.135 6.395 322 HG LEU 43 HG LEU 43 -3.367 -5.585 7.176 323 HD11 LEU 43 1HD1 LEU 43 -3.129 -4.690 4.929 324 HD12 LEU 43 2HD1 LEU 43 -4.646 -4.178 5.668 325 HD13 LEU 43 3HD1 LEU 43 -4.643 -5.460 4.456 326 HD21 LEU 43 3HD2 LEU 43 -5.788 -5.663 7.316 327 HD22 LEU 43 1HD2 LEU 43 -5.097 -7.240 7.698 328 HD23 LEU 43 2HD2 LEU 43 -5.834 -6.959 6.120 329 H VAL 44 H VAL 44 -0.846 -9.119 7.390 330 HA VAL 44 HA VAL 44 -0.021 -10.708 5.055 331 HB VAL 44 HB VAL 44 0.753 -11.075 7.963 332 HG11 VAL 44 1HG1 VAL 44 0.622 -13.201 6.784 333 HG12 VAL 44 2HG1 VAL 44 2.302 -12.778 7.122 334 HG13 VAL 44 3HG1 VAL 44 1.647 -12.564 5.498 335 HG21 VAL 44 3HG2 VAL 44 1.821 -9.128 6.932 336 HG22 VAL 44 1HG2 VAL 44 2.402 -10.149 5.615 337 HG23 VAL 44 2HG2 VAL 44 2.989 -10.409 7.257 338 H ASP 45 H ASP 45 -1.808 -11.697 4.435 339 HA ASP 45 HA ASP 45 -3.584 -13.091 4.374 340 HB2 ASP 45 1HB ASP 45 -2.110 -14.693 5.520 341 HB3 ASP 45 2HB ASP 45 -2.626 -14.048 7.075 342 H GLY 46 H GLY 46 -3.506 -12.464 7.858 343 HA2 GLY 46 1HA GLY 46 -5.897 -10.792 7.593 344 HA3 GLY 46 2HA GLY 46 -5.997 -12.219 8.614 345 H ILE 47 H ILE 47 -2.893 -11.024 8.736 346 HA ILE 47 HA ILE 47 -3.476 -9.568 11.239 347 HB ILE 47 HB ILE 47 -0.803 -10.779 10.573 348 HG12 ILE 47 1HG1 ILE 47 -3.036 -12.176 12.065 349 HG13 ILE 47 2HG1 ILE 47 -2.534 -12.569 10.424 350 HG21 ILE 47 1HG2 ILE 47 -2.164 -10.103 13.176 351 HG22 ILE 47 2HG2 ILE 47 -0.876 -9.183 12.400 352 HG23 ILE 47 3HG2 ILE 47 -0.553 -10.804 13.016 353 HD11 ILE 47 3HD1 ILE 47 -1.608 -14.131 12.033 354 HD12 ILE 47 1HD1 ILE 47 -0.832 -12.802 12.895 355 HD13 ILE 47 2HD1 ILE 47 -0.328 -13.201 11.253 356 H VAL 48 H VAL 48 -2.138 -7.694 11.676 357 HA VAL 48 HA VAL 48 -1.123 -6.465 9.198 358 HB VAL 48 HB VAL 48 -1.970 -5.080 11.753 359 HG11 VAL 48 1HG1 VAL 48 -0.259 -3.850 10.534 360 HG12 VAL 48 2HG1 VAL 48 -1.814 -3.025 10.428 361 HG13 VAL 48 3HG1 VAL 48 -1.216 -3.958 9.056 362 HG21 VAL 48 3HG2 VAL 48 -3.403 -5.318 9.109 363 HG22 VAL 48 1HG2 VAL 48 -3.908 -4.299 10.458 364 HG23 VAL 48 2HG2 VAL 48 -3.892 -6.054 10.635 365 H VAL 49 H VAL 49 1.010 -6.181 9.015 366 HA VAL 49 HA VAL 49 2.654 -6.622 11.390 367 HB VAL 49 HB VAL 49 4.576 -6.711 9.797 368 HG11 VAL 49 1HG1 VAL 49 4.009 -8.918 8.901 369 HG12 VAL 49 2HG1 VAL 49 2.309 -8.625 9.263 370 HG13 VAL 49 3HG1 VAL 49 3.482 -8.738 10.575 371 HG21 VAL 49 3HG2 VAL 49 2.406 -6.577 7.701 372 HG22 VAL 49 1HG2 VAL 49 4.098 -6.975 7.402 373 HG23 VAL 49 2HG2 VAL 49 3.660 -5.370 7.986 374 H ASP 50 H ASP 50 1.902 -4.131 9.032 375 HA ASP 50 HA ASP 50 2.884 -2.139 10.848 376 HB2 ASP 50 1HB ASP 50 4.939 -2.865 9.556 377 HB3 ASP 50 2HB ASP 50 4.160 -2.223 8.112 378 H THR 51 H THR 51 1.974 -0.182 10.524 379 HA THR 51 HA THR 51 0.208 0.132 8.183 380 HB THR 51 HB THR 51 -0.390 1.240 10.930 381 HG1 THR 51 HG1 THR 51 -0.382 -1.061 11.034 382 HG21 THR 51 3HG2 THR 51 -2.689 1.359 10.015 383 HG22 THR 51 1HG2 THR 51 -2.071 0.793 8.464 384 HG23 THR 51 2HG2 THR 51 -1.540 2.345 9.111 385 H GLN 52 H GLN 52 1.052 1.701 6.958 386 HA GLN 52 HA GLN 52 2.632 3.782 8.309 387 HB2 GLN 52 1HB GLN 52 3.921 2.329 6.812 388 HB3 GLN 52 2HB GLN 52 2.841 2.732 5.484 389 HG2 GLN 52 1HG GLN 52 3.535 5.105 5.726 390 HG3 GLN 52 2HG GLN 52 4.715 4.580 6.925 391 HE21 GLN 52 2HE2 GLN 52 4.929 5.810 4.213 392 HE22 GLN 52 1HE2 GLN 52 6.035 4.788 3.367 393 H THR 53 H THR 53 1.565 5.624 8.479 394 HA THR 53 HA THR 53 -0.564 6.367 6.714 395 HB THR 53 HB THR 53 0.851 8.160 8.693 396 HG1 THR 53 HG1 THR 53 -0.803 5.963 9.085 397 HG21 THR 53 3HG2 THR 53 -1.339 9.264 8.821 398 HG22 THR 53 1HG2 THR 53 -1.978 8.136 7.625 399 HG23 THR 53 2HG2 THR 53 -0.712 9.277 7.172 400 H VAL 54 H VAL 54 -0.298 7.240 4.774 401 HA VAL 54 HA VAL 54 2.229 8.542 4.095 402 HB VAL 54 HB VAL 54 -0.129 7.997 2.281 403 HG11 VAL 54 1HG1 VAL 54 2.761 8.615 1.674 404 HG12 VAL 54 2HG1 VAL 54 1.397 9.712 1.467 405 HG13 VAL 54 3HG1 VAL 54 1.512 8.254 0.483 406 HG21 VAL 54 3HG2 VAL 54 1.102 6.031 1.491 407 HG22 VAL 54 1HG2 VAL 54 0.693 5.892 3.202 408 HG23 VAL 54 2HG2 VAL 54 2.336 6.313 2.721 409 H THR 55 H THR 55 2.426 10.685 3.978 410 HA THR 55 HA THR 55 0.569 12.340 5.210 411 HB THR 55 HB THR 55 2.782 13.218 3.347 412 HG1 THR 55 HG1 THR 55 4.057 12.416 4.837 413 HG21 THR 55 3HG2 THR 55 1.468 14.605 5.690 414 HG22 THR 55 1HG2 THR 55 1.230 15.011 3.990 415 HG23 THR 55 2HG2 THR 55 2.812 15.233 4.737 416 H SER 56 H SER 56 1.092 11.749 1.750 417 HA SER 56 HA SER 56 -1.497 12.683 1.067 418 HB2 SER 56 1HB SER 56 -0.627 14.611 -0.381 419 HB3 SER 56 2HB SER 56 -0.692 14.891 1.360 420 HG SER 56 HG SER 56 1.338 15.441 0.109 421 H LEU 57 H LEU 57 -1.885 12.645 -1.273 422 HA LEU 57 HA LEU 57 0.177 11.612 -3.006 423 HB2 LEU 57 1HB LEU 57 -0.614 9.553 -1.940 424 HB3 LEU 57 2HB LEU 57 -2.265 9.945 -2.377 425 HG LEU 57 HG LEU 57 -1.757 9.669 -4.735 426 HD11 LEU 57 1HD1 LEU 57 1.047 9.032 -3.837 427 HD12 LEU 57 2HD1 LEU 57 0.542 10.483 -4.702 428 HD13 LEU 57 3HD1 LEU 57 0.429 8.906 -5.484 429 HD21 LEU 57 3HD2 LEU 57 -0.736 7.381 -3.057 430 HD22 LEU 57 1HD2 LEU 57 -1.242 7.270 -4.744 431 HD23 LEU 57 2HD2 LEU 57 -2.416 7.689 -3.498 432 H GLU 58 H GLU 58 -0.065 12.810 -4.762 433 HA GLU 58 HA GLU 58 -2.497 14.244 -5.246 434 HB2 GLU 58 1HB GLU 58 0.025 14.118 -6.902 435 HB3 GLU 58 2HB GLU 58 -1.276 15.284 -7.096 436 HG2 GLU 58 1HG GLU 58 -0.824 16.018 -4.739 437 HG3 GLU 58 2HG GLU 58 0.623 15.010 -4.788 438 H SER 59 H SER 59 -3.323 14.405 -7.547 439 HA SER 59 HA SER 59 -4.435 11.942 -8.299 440 HB2 SER 59 1HB SER 59 -4.273 14.476 -9.948 441 HB3 SER 59 2HB SER 59 -5.443 13.169 -10.135 442 HG SER 59 HG SER 59 -6.556 14.490 -8.887 443 H GLU 60 H GLU 60 -3.671 10.364 -9.493 444 HA GLU 60 HA GLU 60 -2.564 9.160 -11.036 445 HB2 GLU 60 1HB GLU 60 -2.109 11.850 -12.323 446 HB3 GLU 60 2HB GLU 60 -1.713 10.309 -13.075 447 HG2 GLU 60 1HG GLU 60 -4.065 9.650 -12.953 448 HG3 GLU 60 2HG GLU 60 -4.457 11.204 -12.219 449 H ASN 61 H ASN 61 -1.171 10.687 -8.736 450 HA ASN 61 HA ASN 61 1.593 10.326 -9.641 451 HB2 ASN 61 1HB ASN 61 0.949 12.383 -8.341 452 HB3 ASN 61 2HB ASN 61 0.584 11.346 -6.973 453 HD21 ASN 61 2HD2 ASN 61 2.606 13.529 -7.553 454 HD22 ASN 61 1HD2 ASN 61 4.110 12.846 -7.029 455 H SER 62 H SER 62 2.929 8.789 -8.721 456 HA SER 62 HA SER 62 1.533 6.697 -7.190 457 HB2 SER 62 1HB SER 62 3.985 6.108 -8.799 458 HB3 SER 62 2HB SER 62 2.615 5.066 -8.413 459 HG SER 62 HG SER 62 1.779 5.624 -10.253 460 H THR 63 H THR 63 2.181 6.600 -5.147 461 HA THR 63 HA THR 63 4.891 7.515 -4.480 462 HB THR 63 HB THR 63 2.410 7.278 -2.774 463 HG1 THR 63 HG1 THR 63 3.241 9.180 -4.321 464 HG21 THR 63 3HG2 THR 63 4.353 6.632 -1.436 465 HG22 THR 63 1HG2 THR 63 3.744 8.209 -0.937 466 HG23 THR 63 2HG2 THR 63 5.196 8.100 -1.935 467 H ASN 64 H ASN 64 6.366 6.083 -3.948 468 HA ASN 64 HA ASN 64 5.685 3.302 -3.609 469 HB2 ASN 64 1HB ASN 64 8.322 4.775 -3.524 470 HB3 ASN 64 2HB ASN 64 8.175 3.036 -3.303 471 HD21 ASN 64 2HD2 ASN 64 9.583 4.518 -5.349 472 HD22 ASN 64 1HD2 ASN 64 8.916 4.012 -6.866 473 H VAL 65 H VAL 65 5.047 2.485 -1.767 474 HA VAL 65 HA VAL 65 5.720 3.825 0.744 475 HB VAL 65 HB VAL 65 3.825 1.510 0.325 476 HG11 VAL 65 1HG1 VAL 65 4.524 1.862 2.629 477 HG12 VAL 65 2HG1 VAL 65 2.822 2.274 2.414 478 HG13 VAL 65 3HG1 VAL 65 4.030 3.552 2.529 479 HG21 VAL 65 3HG2 VAL 65 2.023 3.192 0.290 480 HG22 VAL 65 1HG2 VAL 65 3.103 3.306 -1.101 481 HG23 VAL 65 2HG2 VAL 65 3.244 4.464 0.225 482 H ASP 66 H ASP 66 7.609 3.149 1.571 483 HA ASP 66 HA ASP 66 8.380 0.349 1.311 484 HB2 ASP 66 1HB ASP 66 9.867 2.812 2.196 485 HB3 ASP 66 2HB ASP 66 10.511 1.198 2.473 486 H PHE 67 H PHE 67 7.643 -0.985 2.781 487 HA PHE 67 HA PHE 67 7.034 -0.040 5.481 488 HB2 PHE 67 1HB PHE 67 6.686 -2.804 4.284 489 HB3 PHE 67 2HB PHE 67 6.057 -2.256 5.829 490 HD1 PHE 67 HD1 PHE 67 4.184 -0.670 5.909 491 HD2 PHE 67 HD2 PHE 67 5.590 -2.322 2.250 492 HE1 PHE 67 HE1 PHE 67 2.074 -0.033 4.815 493 HE2 PHE 67 HE2 PHE 67 3.491 -1.685 1.147 494 HZ PHE 67 HZ PHE 67 1.731 -0.543 2.428 495 H HIS 68 H HIS 68 7.715 -1.457 7.301 496 HA HIS 68 HA HIS 68 10.345 -2.685 6.830 497 HB2 HIS 68 1HB HIS 68 10.624 -2.213 9.399 498 HB3 HIS 68 2HB HIS 68 10.936 -0.939 8.228 499 HD1 HIS 68 HD1 HIS 68 9.605 1.161 8.434 500 HD2 HIS 68 HD2 HIS 68 8.070 -1.928 10.755 501 HE1 HIS 68 HE1 HIS 68 7.780 2.197 9.824 502 HE2 HIS 68 HE2 HIS 68 6.693 0.247 10.989 503 H TRP 69 H TRP 69 9.757 -4.741 6.530 504 HA TRP 69 HA TRP 69 7.823 -5.978 8.334 505 HB2 TRP 69 1HB TRP 69 7.546 -6.284 5.895 506 HB3 TRP 69 2HB TRP 69 9.130 -7.040 5.810 507 HD1 TRP 69 HD1 TRP 69 7.390 -8.267 8.827 508 HE1 TRP 69 HE1 TRP 69 6.378 -10.591 8.412 509 HE3 TRP 69 HE3 TRP 69 7.840 -8.454 3.737 510 HZ2 TRP 69 HZ2 TRP 69 5.851 -12.284 6.225 511 HZ3 TRP 69 HZ3 TRP 69 7.062 -10.467 2.564 512 HH2 TRP 69 HH2 TRP 69 6.085 -12.341 3.782 513 H THR 70 H THR 70 8.880 -6.424 10.230 514 HA THR 70 HA THR 70 11.445 -7.701 10.309 515 HB THR 70 HB THR 70 9.344 -7.705 12.491 516 HG1 THR 70 HG1 THR 70 9.633 -5.573 12.082 517 HG21 THR 70 3HG2 THR 70 11.284 -7.848 13.985 518 HG22 THR 70 1HG2 THR 70 12.362 -7.861 12.590 519 HG23 THR 70 2HG2 THR 70 11.252 -9.205 12.860 520 H LEU 71 H LEU 71 11.425 -9.550 9.088 521 HA LEU 71 HA LEU 71 9.128 -11.329 9.324 522 HB2 LEU 71 1HB LEU 71 9.740 -10.602 7.101 523 HB3 LEU 71 2HB LEU 71 11.370 -11.203 7.320 524 HG LEU 71 HG LEU 71 10.624 -13.483 7.253 525 HD11 LEU 71 1HD1 LEU 71 8.533 -13.209 8.512 526 HD12 LEU 71 2HD1 LEU 71 8.285 -14.098 7.009 527 HD13 LEU 71 3HD1 LEU 71 7.813 -12.402 7.118 528 HD21 LEU 71 3HD2 LEU 71 9.286 -11.816 5.137 529 HD22 LEU 71 1HD2 LEU 71 9.589 -13.551 5.020 530 HD23 LEU 71 2HD2 LEU 71 10.944 -12.424 5.109 531 H ASP 72 H ASP 72 9.223 -12.912 10.683 532 HA ASP 72 HA ASP 72 11.542 -14.142 11.710 533 HB2 ASP 72 1HB ASP 72 9.493 -14.366 12.927 534 HB3 ASP 72 2HB ASP 72 8.658 -15.035 11.531 535 H GLY 73 H GLY 73 9.187 -15.294 9.309 536 HA2 GLY 73 1HA GLY 73 9.825 -16.271 7.226 537 HA3 GLY 73 2HA GLY 73 11.363 -16.720 7.953 538 H THR 74 H THR 74 7.987 -17.194 8.914 539 HA THR 74 HA THR 74 8.573 -19.869 9.807 540 HB THR 74 HB THR 74 5.815 -18.691 9.631 541 HG1 THR 74 HG1 THR 74 7.969 -17.912 11.313 542 HG21 THR 74 3HG2 THR 74 7.182 -20.452 11.671 543 HG22 THR 74 1HG2 THR 74 6.066 -21.000 10.421 544 HG23 THR 74 2HG2 THR 74 5.493 -19.940 11.709 545 H ALA 75 H ALA 75 7.093 -18.319 7.062 546 HA ALA 75 HA ALA 75 6.564 -20.970 5.886 547 HB1 ALA 75 3HB ALA 75 4.995 -18.434 5.416 548 HB2 ALA 75 1HB ALA 75 4.468 -19.800 6.401 549 HB3 ALA 75 2HB ALA 75 4.693 -20.001 4.664 550 H ASN 76 H ASN 76 6.672 -20.994 3.504 551 HA ASN 76 HA ASN 76 8.876 -19.291 2.585 552 HB2 ASN 76 1HB ASN 76 7.802 -21.955 1.713 553 HB3 ASN 76 2HB ASN 76 8.777 -20.993 0.604 554 HD21 ASN 76 2HD2 ASN 76 9.260 -23.586 1.985 555 HD22 ASN 76 1HD2 ASN 76 10.775 -23.372 2.802 556 H SER 77 H SER 77 5.597 -19.298 2.512 557 HA SER 77 HA SER 77 5.593 -17.379 0.336 558 HB2 SER 77 1HB SER 77 3.751 -19.785 0.343 559 HB3 SER 77 2HB SER 77 3.633 -18.415 -0.763 560 HG SER 77 HG SER 77 6.143 -19.341 -0.779 561 H TYR 78 H TYR 78 4.799 -15.648 1.274 562 HA TYR 78 HA TYR 78 2.617 -15.943 3.225 563 HB2 TYR 78 1HB TYR 78 4.711 -13.829 2.807 564 HB3 TYR 78 2HB TYR 78 3.247 -13.484 3.720 565 HD1 TYR 78 HD2 TYR 78 6.363 -15.454 3.666 566 HD2 TYR 78 HD1 TYR 78 2.914 -14.373 5.907 567 HE1 TYR 78 HE2 TYR 78 7.388 -16.397 5.696 568 HE2 TYR 78 HE1 TYR 78 3.926 -15.311 7.935 569 HH TYR 78 HH TYR 78 5.590 -16.888 8.595 570 H THR 79 H THR 79 0.769 -14.683 3.094 571 HA THR 79 HA THR 79 0.205 -13.580 0.435 572 HB THR 79 HB THR 79 -1.689 -14.167 2.726 573 HG1 THR 79 HG1 THR 79 -0.582 -15.949 1.365 574 HG21 THR 79 3HG2 THR 79 -3.463 -13.844 1.062 575 HG22 THR 79 1HG2 THR 79 -2.253 -13.396 -0.141 576 HG23 THR 79 2HG2 THR 79 -2.508 -12.378 1.277 577 H LEU 80 H LEU 80 1.057 -11.533 0.439 578 HA LEU 80 HA LEU 80 0.474 -9.813 2.716 579 HB2 LEU 80 1HB LEU 80 2.498 -9.837 0.593 580 HB3 LEU 80 2HB LEU 80 1.887 -8.244 1.005 581 HG LEU 80 HG LEU 80 2.527 -8.569 3.338 582 HD11 LEU 80 1HD1 LEU 80 2.212 -10.975 3.514 583 HD12 LEU 80 2HD1 LEU 80 3.838 -10.520 4.022 584 HD13 LEU 80 3HD1 LEU 80 3.580 -11.246 2.435 585 HD21 LEU 80 3HD2 LEU 80 4.758 -9.216 1.424 586 HD22 LEU 80 1HD2 LEU 80 4.942 -8.549 3.045 587 HD23 LEU 80 2HD2 LEU 80 4.140 -7.605 1.790 588 H THR 81 H THR 81 -0.911 -8.195 2.678 589 HA THR 81 HA THR 81 -2.289 -7.617 0.143 590 HB THR 81 HB THR 81 -3.683 -7.898 2.813 591 HG1 THR 81 HG1 THR 81 -2.832 -9.808 1.083 592 HG21 THR 81 3HG2 THR 81 -4.823 -6.451 1.214 593 HG22 THR 81 1HG2 THR 81 -5.713 -7.960 1.423 594 HG23 THR 81 2HG2 THR 81 -4.724 -7.711 -0.016 595 H VAL 82 H VAL 82 -1.916 -5.543 -0.289 596 HA VAL 82 HA VAL 82 -1.497 -3.630 1.855 597 HB VAL 82 HB VAL 82 -1.539 -3.203 -1.142 598 HG11 VAL 82 1HG1 VAL 82 -0.458 -1.059 -0.646 599 HG12 VAL 82 2HG1 VAL 82 -0.627 -1.376 1.080 600 HG13 VAL 82 3HG1 VAL 82 -2.063 -1.161 0.079 601 HG21 VAL 82 3HG2 VAL 82 0.285 -4.662 -0.466 602 HG22 VAL 82 1HG2 VAL 82 0.783 -3.498 0.761 603 HG23 VAL 82 2HG2 VAL 82 0.904 -3.082 -0.948 604 H ASN 83 H ASN 83 -3.277 -2.944 2.877 605 HA ASN 83 HA ASN 83 -5.649 -2.343 1.238 606 HB2 ASN 83 1HB ASN 83 -6.044 -3.860 3.154 607 HB3 ASN 83 2HB ASN 83 -5.451 -2.616 4.249 608 HD21 ASN 83 2HD2 ASN 83 -6.736 -0.843 4.706 609 HD22 ASN 83 1HD2 ASN 83 -8.408 -0.765 4.270 610 H VAL 84 H VAL 84 -5.843 -0.324 0.647 611 HA VAL 84 HA VAL 84 -4.287 1.717 1.953 612 HB VAL 84 HB VAL 84 -6.083 1.818 -0.466 613 HG11 VAL 84 1HG1 VAL 84 -5.168 4.039 -0.882 614 HG12 VAL 84 2HG1 VAL 84 -4.299 3.969 0.651 615 HG13 VAL 84 3HG1 VAL 84 -6.062 3.990 0.638 616 HG21 VAL 84 3HG2 VAL 84 -4.016 0.528 -0.732 617 HG22 VAL 84 1HG2 VAL 84 -3.081 1.924 -0.190 618 HG23 VAL 84 2HG2 VAL 84 -3.992 2.003 -1.700 619 H ASP 85 H ASP 85 -4.946 2.653 3.656 620 HA ASP 85 HA ASP 85 -6.097 3.827 5.167 621 HB2 ASP 85 1HB ASP 85 -6.631 5.227 3.142 622 HB3 ASP 85 2HB ASP 85 -8.171 4.375 3.048 623 HA PRO 86 HA PRO 86 -9.109 0.632 6.308 624 HB2 PRO 86 1HB PRO 86 -7.786 0.353 8.805 625 HB3 PRO 86 2HB PRO 86 -7.748 -0.770 7.447 626 HG2 PRO 86 1HG PRO 86 -5.586 0.713 8.397 627 HG3 PRO 86 2HG PRO 86 -5.680 -0.091 6.821 628 HD2 PRO 86 1HD PRO 86 -6.095 2.779 7.519 629 HD3 PRO 86 2HD PRO 86 -5.395 2.058 6.054 630 H GLU 87 H GLU 87 -8.150 3.677 7.383 631 HA GLU 87 HA GLU 87 -10.044 3.777 9.608 632 HB2 GLU 87 1HB GLU 87 -8.167 5.888 8.523 633 HB3 GLU 87 2HB GLU 87 -9.162 6.054 9.961 634 HG2 GLU 87 1HG GLU 87 -7.938 4.170 10.982 635 HG3 GLU 87 2HG GLU 87 -6.897 4.116 9.560 636 H ASN 88 H ASN 88 -9.813 4.414 6.306 637 HA ASN 88 HA ASN 88 -11.150 5.344 4.743 638 HB2 ASN 88 1HB ASN 88 -12.813 3.825 6.017 639 HB3 ASN 88 2HB ASN 88 -13.416 5.319 6.728 640 HD21 ASN 88 2HD2 ASN 88 -13.083 3.455 3.814 641 HD22 ASN 88 1HD2 ASN 88 -14.231 4.344 2.867 642 H ALA 89 H ALA 89 -9.591 7.097 5.723 643 HA ALA 89 HA ALA 89 -11.084 9.397 6.734 644 HB1 ALA 89 3HB ALA 89 -8.126 9.031 6.262 645 HB2 ALA 89 1HB ALA 89 -8.954 8.857 7.807 646 HB3 ALA 89 2HB ALA 89 -8.884 10.433 7.018 647 H VAL 90 H VAL 90 -9.414 8.190 3.921 648 HA VAL 90 HA VAL 90 -10.287 10.581 2.430 649 HB VAL 90 HB VAL 90 -8.261 8.501 1.573 650 HG11 VAL 90 1HG1 VAL 90 -7.737 10.096 -0.219 651 HG12 VAL 90 2HG1 VAL 90 -9.051 11.134 0.334 652 HG13 VAL 90 3HG1 VAL 90 -9.405 9.530 -0.306 653 HG21 VAL 90 3HG2 VAL 90 -7.829 11.307 2.594 654 HG22 VAL 90 1HG2 VAL 90 -6.578 10.249 1.939 655 HG23 VAL 90 2HG2 VAL 90 -7.406 9.814 3.434 656 H ASN 91 H ASN 91 -12.326 10.148 1.829 657 HA ASN 91 HA ASN 91 -13.336 7.582 1.204 658 HB2 ASN 91 1HB ASN 91 -14.748 9.498 1.905 659 HB3 ASN 91 2HB ASN 91 -14.411 10.286 0.368 660 HD21 ASN 91 2HD2 ASN 91 -16.575 10.337 -0.167 661 HD22 ASN 91 1HD2 ASN 91 -17.450 8.925 -0.655 662 H GLU 92 H GLU 92 -13.357 6.445 -0.641 663 HA GLU 92 HA GLU 92 -11.902 7.620 -2.914 664 HB2 GLU 92 1HB GLU 92 -12.247 4.713 -2.177 665 HB3 GLU 92 2HB GLU 92 -11.270 5.340 -3.494 666 HG2 GLU 92 1HG GLU 92 -9.782 6.409 -1.919 667 HG3 GLU 92 2HG GLU 92 -10.791 5.874 -0.574 668 H GLY 93 H GLY 93 -12.479 6.902 -5.046 669 HA2 GLY 93 1HA GLY 93 -15.172 6.739 -5.764 670 HA3 GLY 93 2HA GLY 93 -13.827 6.181 -6.751 671 H ASN 94 H ASN 94 -13.462 4.037 -6.976 672 HA ASN 94 HA ASN 94 -15.419 2.233 -5.810 673 HB2 ASN 94 1HB ASN 94 -14.805 1.943 -8.179 674 HB3 ASN 94 2HB ASN 94 -13.129 1.662 -7.713 675 HD21 ASN 94 2HD2 ASN 94 -13.128 -0.388 -8.644 676 HD22 ASN 94 1HD2 ASN 94 -13.957 -1.731 -7.933 677 H GLU 95 H GLU 95 -15.049 1.782 -3.749 678 HA GLU 95 HA GLU 95 -12.441 1.821 -2.582 679 HB2 GLU 95 1HB GLU 95 -15.124 1.007 -1.465 680 HB3 GLU 95 2HB GLU 95 -13.655 1.151 -0.512 681 HG2 GLU 95 1HG GLU 95 -13.529 3.505 -0.964 682 HG3 GLU 95 2HG GLU 95 -14.900 3.403 -2.069 683 H SER 96 H SER 96 -13.173 -0.313 -4.628 684 HA SER 96 HA SER 96 -12.274 -2.613 -3.031 685 HB2 SER 96 1HB SER 96 -13.504 -2.645 -5.796 686 HB3 SER 96 2HB SER 96 -13.144 -4.044 -4.784 687 HG SER 96 HG SER 96 -14.640 -2.537 -3.293 688 H ASN 97 H ASN 97 -11.217 -0.197 -5.028 689 HA ASN 97 HA ASN 97 -9.185 -1.744 -6.429 690 HB2 ASN 97 1HB ASN 97 -9.632 1.249 -6.297 691 HB3 ASN 97 2HB ASN 97 -8.440 0.448 -7.310 692 HD21 ASN 97 2HD2 ASN 97 -10.575 2.192 -8.095 693 HD22 ASN 97 1HD2 ASN 97 -11.594 1.278 -9.164 694 H ASN 98 H ASN 98 -9.607 -0.299 -3.442 695 HA ASN 98 HA ASN 98 -6.977 0.755 -3.031 696 HB2 ASN 98 1HB ASN 98 -7.736 1.289 -0.824 697 HB3 ASN 98 2HB ASN 98 -9.071 1.604 -1.924 698 HD21 ASN 98 2HD2 ASN 98 -9.064 1.065 0.936 699 HD22 ASN 98 1HD2 ASN 98 -10.086 -0.313 1.162 700 H THR 99 H THR 99 -7.906 -2.338 -3.301 701 HA THR 99 HA THR 99 -6.143 -3.267 -1.134 702 HB THR 99 HB THR 99 -8.092 -5.086 -2.477 703 HG1 THR 99 HG1 THR 99 -8.863 -2.857 -1.296 704 HG21 THR 99 3HG2 THR 99 -7.018 -4.899 0.337 705 HG22 THR 99 1HG2 THR 99 -6.467 -6.017 -0.910 706 HG23 THR 99 2HG2 THR 99 -8.103 -6.151 -0.266 707 H LEU 100 H LEU 100 -4.644 -4.833 -1.574 708 HA LEU 100 HA LEU 100 -4.265 -5.757 -4.315 709 HB2 LEU 100 1HB LEU 100 -2.923 -3.731 -4.217 710 HB3 LEU 100 2HB LEU 100 -2.176 -4.261 -2.723 711 HG LEU 100 HG LEU 100 -1.208 -6.204 -4.027 712 HD11 LEU 100 1HD1 LEU 100 -1.048 -5.938 -6.448 713 HD12 LEU 100 2HD1 LEU 100 -2.113 -4.535 -6.367 714 HD13 LEU 100 3HD1 LEU 100 -2.723 -6.131 -5.930 715 HD21 LEU 100 3HD2 LEU 100 -0.405 -3.413 -4.829 716 HD22 LEU 100 1HD2 LEU 100 0.600 -4.856 -4.956 717 HD23 LEU 100 2HD2 LEU 100 0.107 -4.263 -3.371 718 H THR 101 H THR 101 -4.519 -7.874 -3.849 719 HA THR 101 HA THR 101 -3.063 -9.030 -1.590 720 HB THR 101 HB THR 101 -4.914 -10.469 -3.496 721 HG1 THR 101 HG1 THR 101 -6.179 -8.887 -2.615 722 HG21 THR 101 3HG2 THR 101 -3.503 -11.895 -2.096 723 HG22 THR 101 1HG2 THR 101 -5.193 -12.014 -1.612 724 HG23 THR 101 2HG2 THR 101 -4.069 -11.053 -0.653 725 H ALA 102 H ALA 102 -1.016 -9.582 -2.005 726 HA ALA 102 HA ALA 102 -0.423 -10.892 -4.577 727 HB1 ALA 102 3HB ALA 102 1.351 -8.911 -3.153 728 HB2 ALA 102 1HB ALA 102 0.417 -8.586 -4.614 729 HB3 ALA 102 2HB ALA 102 1.732 -9.762 -4.649 730 H LEU 103 H LEU 103 0.852 -12.674 -4.480 731 HA LEU 103 HA LEU 103 1.465 -13.711 -1.836 732 HB2 LEU 103 1HB LEU 103 1.624 -14.910 -4.593 733 HB3 LEU 103 2HB LEU 103 2.212 -15.737 -3.163 734 HG LEU 103 HG LEU 103 -0.638 -14.880 -3.651 735 HD11 LEU 103 1HD1 LEU 103 -1.068 -17.298 -3.785 736 HD12 LEU 103 2HD1 LEU 103 0.667 -17.597 -3.669 737 HD13 LEU 103 3HD1 LEU 103 0.011 -16.741 -5.064 738 HD21 LEU 103 3HD2 LEU 103 -1.133 -16.147 -1.618 739 HD22 LEU 103 1HD2 LEU 103 -0.052 -14.793 -1.290 740 HD23 LEU 103 2HD2 LEU 103 0.590 -16.434 -1.377 741 H VAL 104 H VAL 104 3.343 -13.474 -0.923 742 HA VAL 104 HA VAL 104 5.675 -12.916 -2.629 743 HB VAL 104 HB VAL 104 6.696 -11.750 -0.696 744 HG11 VAL 104 1HG1 VAL 104 4.011 -10.675 -1.548 745 HG12 VAL 104 2HG1 VAL 104 5.546 -10.452 -2.391 746 HG13 VAL 104 3HG1 VAL 104 5.298 -9.733 -0.798 747 HG21 VAL 104 3HG2 VAL 104 3.994 -12.142 0.583 748 HG22 VAL 104 1HG2 VAL 104 5.251 -11.058 1.182 749 HG23 VAL 104 2HG2 VAL 104 5.533 -12.800 1.140 750 H GLY 105 H GLY 105 7.181 -14.415 -2.661 751 HA2 GLY 105 1HA GLY 105 7.041 -16.533 -0.616 752 HA3 GLY 105 2HA GLY 105 7.692 -16.734 -2.240 753 H THR 106 H THR 106 9.267 -17.618 -0.266 754 HA THR 106 HA THR 106 11.074 -15.590 0.612 755 HB THR 106 HB THR 106 12.573 -17.565 1.152 756 HG1 THR 106 HG1 THR 106 11.122 -19.574 1.191 757 HG21 THR 106 3HG2 THR 106 11.114 -16.542 2.812 758 HG22 THR 106 1HG2 THR 106 11.154 -18.292 3.030 759 HG23 THR 106 2HG2 THR 106 9.760 -17.529 2.259 760 H LEU 107 H LEU 107 13.332 -15.437 -0.070 761 HA LEU 107 HA LEU 107 13.386 -14.844 -2.805 762 HB2 LEU 107 1HB LEU 107 14.733 -13.683 -1.108 763 HB3 LEU 107 2HB LEU 107 15.722 -15.119 -0.921 764 HG LEU 107 HG LEU 107 16.433 -14.904 -3.288 765 HD11 LEU 107 1HD1 LEU 107 15.983 -12.809 -4.473 766 HD12 LEU 107 2HD1 LEU 107 14.903 -12.310 -3.170 767 HD13 LEU 107 3HD1 LEU 107 14.503 -13.715 -4.157 768 HD21 LEU 107 3HD2 LEU 107 17.902 -12.983 -2.946 769 HD22 LEU 107 1HD2 LEU 107 17.804 -13.981 -1.496 770 HD23 LEU 107 2HD2 LEU 107 16.911 -12.463 -1.583 771 H GLU 108 H GLU 108 13.235 -16.347 -4.301 772 HA GLU 108 HA GLU 108 15.046 -18.649 -4.239 773 HB2 GLU 108 1HB GLU 108 12.808 -18.004 -6.175 774 HB3 GLU 108 2HB GLU 108 13.718 -19.506 -6.106 775 HG2 GLU 108 1HG GLU 108 12.792 -20.013 -3.934 776 HG3 GLU 108 2HG GLU 108 11.958 -18.460 -3.902 777 H HIS 109 H HIS 109 16.977 -18.309 -5.146 778 HA HIS 109 HA HIS 109 17.283 -16.083 -7.023 779 HB2 HIS 109 1HB HIS 109 18.749 -16.569 -4.907 780 HB3 HIS 109 2HB HIS 109 19.543 -17.742 -5.949 781 HD1 HIS 109 HD1 HIS 109 20.984 -16.790 -7.923 782 HD2 HIS 109 HD2 HIS 109 19.315 -13.906 -5.436 783 HE1 HIS 109 HE1 HIS 109 22.217 -14.660 -8.431 784 HE2 HIS 109 HE2 HIS 109 21.277 -12.954 -6.827 785 H HIS 110 H HIS 110 18.050 -16.343 -9.119 786 HA HIS 110 HA HIS 110 17.738 -18.923 -10.320 787 HB2 HIS 110 1HB HIS 110 17.296 -16.729 -11.487 788 HB3 HIS 110 2HB HIS 110 19.033 -16.460 -11.521 789 HD1 HIS 110 HD1 HIS 110 16.308 -18.034 -13.374 790 HD2 HIS 110 HD2 HIS 110 20.447 -18.415 -13.182 791 HE1 HIS 110 HE1 HIS 110 16.972 -19.285 -15.450 792 HE2 HIS 110 HE2 HIS 110 19.450 -19.666 -15.220 793 H HIS 111 H HIS 111 19.300 -20.366 -10.962 794 HA HIS 111 HA HIS 111 22.103 -19.656 -10.400 795 HB2 HIS 111 1HB HIS 111 20.821 -22.304 -9.677 796 HB3 HIS 111 2HB HIS 111 22.509 -21.875 -9.446 797 HD1 HIS 111 HD1 HIS 111 22.948 -19.938 -7.599 798 HD2 HIS 111 HD2 HIS 111 19.176 -21.694 -7.614 799 HE1 HIS 111 HE1 HIS 111 21.916 -19.355 -5.380 800 HE2 HIS 111 HE2 HIS 111 19.580 -20.300 -5.476 801 H HIS 112 H HIS 112 23.608 -21.301 -11.423 802 HA HIS 112 HA HIS 112 22.720 -21.878 -14.122 803 HB2 HIS 112 1HB HIS 112 24.992 -21.040 -13.809 804 HB3 HIS 112 2HB HIS 112 25.368 -22.378 -12.730 805 HD1 HIS 112 HD1 HIS 112 24.982 -21.517 -16.345 806 HD2 HIS 112 HD2 HIS 112 25.905 -24.821 -13.998 807 HE1 HIS 112 HE1 HIS 112 25.787 -23.283 -17.944 808 HE2 HIS 112 HE2 HIS 112 26.116 -25.335 -16.521 809 H HIS 113 H HIS 113 23.143 -23.475 -11.110 810 HA HIS 113 HA HIS 113 22.717 -25.556 -10.345 811 HB2 HIS 113 1HB HIS 113 21.397 -25.943 -13.041 812 HB3 HIS 113 2HB HIS 113 21.358 -27.133 -11.743 813 HD1 HIS 113 HD1 HIS 113 19.688 -26.790 -9.889 814 HD2 HIS 113 HD2 HIS 113 19.907 -23.560 -12.500 815 HE1 HIS 113 HE1 HIS 113 17.761 -25.289 -9.277 816 HE2 HIS 113 HE2 HIS 113 18.041 -23.252 -10.734 817 H HIS 114 H HIS 114 23.102 -26.580 -13.692 818 HA HIS 114 HA HIS 114 25.866 -26.981 -13.669 819 HB2 HIS 114 1HB HIS 114 25.169 -28.736 -11.949 820 HB3 HIS 114 2HB HIS 114 24.377 -29.582 -13.277 821 HD1 HIS 114 HD1 HIS 114 27.812 -28.489 -12.131 822 HD2 HIS 114 HD2 HIS 114 26.050 -31.092 -14.860 823 HE1 HIS 114 HE1 HIS 114 29.689 -29.888 -13.047 824 HE2 HIS 114 HE2 HIS 114 28.635 -31.286 -14.854 Start of MODEL 7 1 H1 MET 1 1H MET 1 -14.994 14.844 -10.519 2 H2 MET 1 2H MET 1 -15.618 14.890 -8.945 3 H3 MET 1 3H MET 1 -15.267 13.402 -9.678 4 HA MET 1 HA MET 1 -12.919 13.978 -9.748 5 HB2 MET 1 1HB MET 1 -13.843 16.392 -8.174 6 HB3 MET 1 2HB MET 1 -12.165 15.913 -8.381 7 HG2 MET 1 1HG MET 1 -12.353 16.256 -10.785 8 HG3 MET 1 2HG MET 1 -14.044 16.716 -10.588 9 HE1 MET 1 3HE MET 1 -10.318 17.664 -9.773 10 HE2 MET 1 1HE MET 1 -11.062 17.617 -8.176 11 HE3 MET 1 2HE MET 1 -10.524 19.154 -8.853 12 H ILE 2 H ILE 2 -12.785 12.089 -8.639 13 HA ILE 2 HA ILE 2 -12.746 12.369 -5.724 14 HB ILE 2 HB ILE 2 -14.926 11.280 -6.532 15 HG12 ILE 2 1HG1 ILE 2 -13.174 9.664 -4.672 16 HG13 ILE 2 2HG1 ILE 2 -14.049 11.123 -4.219 17 HG21 ILE 2 1HG2 ILE 2 -13.067 8.968 -7.079 18 HG22 ILE 2 2HG2 ILE 2 -13.971 9.880 -8.290 19 HG23 ILE 2 3HG2 ILE 2 -14.829 8.908 -7.095 20 HD11 ILE 2 3HD1 ILE 2 -15.229 9.141 -3.491 21 HD12 ILE 2 1HD1 ILE 2 -15.275 8.537 -5.148 22 HD13 ILE 2 2HD1 ILE 2 -16.162 10.000 -4.716 23 HA PRO 3 HA PRO 3 -8.840 10.294 -6.360 24 HB2 PRO 3 1HB PRO 3 -9.001 9.536 -3.525 25 HB3 PRO 3 2HB PRO 3 -7.819 10.559 -4.344 26 HG2 PRO 3 1HG PRO 3 -9.644 11.575 -2.646 27 HG3 PRO 3 2HG PRO 3 -9.079 12.471 -4.070 28 HD2 PRO 3 1HD PRO 3 -11.622 10.937 -3.679 29 HD3 PRO 3 2HD PRO 3 -11.362 12.498 -4.481 30 H ASP 4 H ASP 4 -8.050 8.197 -6.506 31 HA ASP 4 HA ASP 4 -9.741 5.998 -5.572 32 HB2 ASP 4 1HB ASP 4 -10.339 6.655 -7.979 33 HB3 ASP 4 2HB ASP 4 -8.735 6.087 -8.422 34 H LEU 5 H LEU 5 -8.169 5.396 -4.127 35 HA LEU 5 HA LEU 5 -5.387 5.401 -4.928 36 HB2 LEU 5 1HB LEU 5 -6.605 4.610 -2.283 37 HB3 LEU 5 2HB LEU 5 -4.915 4.960 -2.595 38 HG LEU 5 HG LEU 5 -7.183 6.951 -2.727 39 HD11 LEU 5 1HD1 LEU 5 -6.630 6.302 -0.447 40 HD12 LEU 5 2HD1 LEU 5 -6.112 7.955 -0.776 41 HD13 LEU 5 3HD1 LEU 5 -4.928 6.649 -0.750 42 HD21 LEU 5 3HD2 LEU 5 -5.449 7.457 -4.360 43 HD22 LEU 5 1HD2 LEU 5 -4.221 7.343 -3.100 44 HD23 LEU 5 2HD2 LEU 5 -5.431 8.624 -3.036 45 H VAL 6 H VAL 6 -4.633 3.729 -6.018 46 HA VAL 6 HA VAL 6 -5.625 1.031 -5.341 47 HB VAL 6 HB VAL 6 -4.493 1.882 -8.008 48 HG11 VAL 6 1HG1 VAL 6 -4.345 -0.495 -7.565 49 HG12 VAL 6 2HG1 VAL 6 -5.553 -0.181 -8.812 50 HG13 VAL 6 3HG1 VAL 6 -6.063 -0.550 -7.164 51 HG21 VAL 6 3HG2 VAL 6 -7.391 1.664 -7.218 52 HG22 VAL 6 1HG2 VAL 6 -6.787 1.944 -8.849 53 HG23 VAL 6 2HG2 VAL 6 -6.528 3.154 -7.591 54 HA PRO 7 HA PRO 7 -1.231 0.211 -4.658 55 HB2 PRO 7 1HB PRO 7 -1.999 -2.372 -3.667 56 HB3 PRO 7 2HB PRO 7 -1.408 -0.990 -2.745 57 HG2 PRO 7 1HG PRO 7 -3.971 -2.011 -2.591 58 HG3 PRO 7 2HG PRO 7 -3.504 -0.368 -2.124 59 HD2 PRO 7 1HD PRO 7 -4.821 -1.327 -4.625 60 HD3 PRO 7 2HD PRO 7 -5.072 0.182 -3.721 61 H VAL 8 H VAL 8 -0.470 -0.120 -6.710 62 HA VAL 8 HA VAL 8 -1.702 -2.120 -8.391 63 HB VAL 8 HB VAL 8 -0.176 -1.295 -10.162 64 HG11 VAL 8 1HG1 VAL 8 -1.715 0.837 -8.684 65 HG12 VAL 8 2HG1 VAL 8 -2.368 -0.290 -9.873 66 HG13 VAL 8 3HG1 VAL 8 -1.194 0.930 -10.366 67 HG21 VAL 8 3HG2 VAL 8 0.763 0.630 -8.035 68 HG22 VAL 8 1HG2 VAL 8 1.174 0.709 -9.749 69 HG23 VAL 8 2HG2 VAL 8 1.722 -0.654 -8.773 70 H SER 9 H SER 9 1.204 -1.845 -6.502 71 HA SER 9 HA SER 9 1.895 -4.558 -6.801 72 HB2 SER 9 1HB SER 9 2.531 -3.867 -9.078 73 HB3 SER 9 2HB SER 9 3.578 -2.615 -8.415 74 HG SER 9 HG SER 9 5.072 -4.065 -8.289 75 H LEU 10 H LEU 10 4.000 -5.053 -5.766 76 HA LEU 10 HA LEU 10 5.317 -2.860 -4.401 77 HB2 LEU 10 1HB LEU 10 5.188 -3.763 -2.211 78 HB3 LEU 10 2HB LEU 10 3.553 -3.725 -2.829 79 HG LEU 10 HG LEU 10 3.971 -6.240 -3.397 80 HD11 LEU 10 1HD1 LEU 10 6.075 -5.718 -1.301 81 HD12 LEU 10 2HD1 LEU 10 6.345 -6.297 -2.947 82 HD13 LEU 10 3HD1 LEU 10 5.499 -7.315 -1.782 83 HD21 LEU 10 3HD2 LEU 10 3.703 -5.353 -0.527 84 HD22 LEU 10 1HD2 LEU 10 3.148 -6.879 -1.218 85 HD23 LEU 10 2HD2 LEU 10 2.391 -5.362 -1.709 86 H THR 11 H THR 11 7.476 -3.383 -3.779 87 HA THR 11 HA THR 11 8.449 -5.981 -4.760 88 HB THR 11 HB THR 11 10.568 -4.773 -5.459 89 HG1 THR 11 HG1 THR 11 8.973 -2.449 -5.631 90 HG21 THR 11 3HG2 THR 11 8.947 -5.588 -7.096 91 HG22 THR 11 1HG2 THR 11 9.658 -4.062 -7.622 92 HG23 THR 11 2HG2 THR 11 8.029 -4.089 -6.945 93 HA PRO 12 HA PRO 12 10.089 -7.034 -4.818 94 HB2 PRO 12 1HB PRO 12 11.511 -9.011 -3.727 95 HB3 PRO 12 2HB PRO 12 12.273 -7.475 -4.160 96 HG2 PRO 12 1HG PRO 12 11.493 -8.517 -1.482 97 HG3 PRO 12 2HG PRO 12 12.867 -7.494 -1.934 98 HD2 PRO 12 1HD PRO 12 10.416 -6.635 -0.826 99 HD3 PRO 12 2HD PRO 12 11.676 -5.607 -1.533 100 H VAL 13 H VAL 13 9.210 -9.152 -5.290 101 HA VAL 13 HA VAL 13 7.063 -9.911 -3.457 102 HB VAL 13 HB VAL 13 6.268 -11.368 -5.280 103 HG11 VAL 13 1HG1 VAL 13 5.484 -9.070 -5.170 104 HG12 VAL 13 2HG1 VAL 13 5.636 -9.592 -6.847 105 HG13 VAL 13 3HG1 VAL 13 6.858 -8.536 -6.139 106 HG21 VAL 13 3HG2 VAL 13 7.325 -11.258 -7.489 107 HG22 VAL 13 1HG2 VAL 13 8.410 -11.947 -6.282 108 HG23 VAL 13 2HG2 VAL 13 8.628 -10.281 -6.815 109 H THR 14 H THR 14 10.133 -10.550 -3.460 110 HA THR 14 HA THR 14 9.780 -13.240 -2.374 111 HB THR 14 HB THR 14 12.277 -12.810 -3.919 112 HG1 THR 14 HG1 THR 14 9.733 -13.215 -5.148 113 HG21 THR 14 3HG2 THR 14 11.789 -14.904 -2.715 114 HG22 THR 14 1HG2 THR 14 11.978 -15.162 -4.448 115 HG23 THR 14 2HG2 THR 14 10.367 -15.136 -3.731 116 H VAL 15 H VAL 15 10.762 -13.331 -0.379 117 HA VAL 15 HA VAL 15 12.492 -11.029 0.283 118 HB VAL 15 HB VAL 15 11.435 -11.038 2.541 119 HG11 VAL 15 1HG1 VAL 15 9.583 -10.566 0.205 120 HG12 VAL 15 2HG1 VAL 15 10.760 -9.423 0.849 121 HG13 VAL 15 3HG1 VAL 15 9.376 -9.907 1.828 122 HG21 VAL 15 3HG2 VAL 15 10.582 -13.322 2.535 123 HG22 VAL 15 1HG2 VAL 15 9.472 -12.918 1.226 124 HG23 VAL 15 2HG2 VAL 15 9.275 -12.172 2.812 125 H VAL 16 H VAL 16 13.841 -11.264 2.177 126 HA VAL 16 HA VAL 16 14.982 -13.946 2.349 127 HB VAL 16 HB VAL 16 15.992 -11.365 3.561 128 HG11 VAL 16 1HG1 VAL 16 16.847 -13.345 4.686 129 HG12 VAL 16 2HG1 VAL 16 18.124 -12.559 3.756 130 HG13 VAL 16 3HG1 VAL 16 17.355 -14.023 3.140 131 HG21 VAL 16 3HG2 VAL 16 15.927 -11.189 1.139 132 HG22 VAL 16 1HG2 VAL 16 16.789 -12.720 0.987 133 HG23 VAL 16 2HG2 VAL 16 17.594 -11.322 1.701 134 HA PRO 17 HA PRO 17 12.671 -14.405 6.160 135 HB2 PRO 17 1HB PRO 17 13.741 -17.077 6.382 136 HB3 PRO 17 2HB PRO 17 12.108 -16.576 5.940 137 HG2 PRO 17 1HG PRO 17 13.865 -17.765 4.210 138 HG3 PRO 17 2HG PRO 17 12.539 -16.703 3.707 139 HD2 PRO 17 1HD PRO 17 15.452 -16.093 4.003 140 HD3 PRO 17 2HD PRO 17 14.301 -15.548 2.763 141 H ASN 18 H ASN 18 15.734 -13.646 6.038 142 HA ASN 18 HA ASN 18 16.353 -14.612 8.751 143 HB2 ASN 18 1HB ASN 18 18.283 -14.203 6.460 144 HB3 ASN 18 2HB ASN 18 18.758 -14.576 8.113 145 HD21 ASN 18 2HD2 ASN 18 17.476 -15.798 5.165 146 HD22 ASN 18 1HD2 ASN 18 17.428 -17.469 5.617 147 H THR 19 H THR 19 15.225 -12.011 7.511 148 HA THR 19 HA THR 19 16.438 -10.259 9.377 149 HB THR 19 HB THR 19 18.233 -10.297 7.632 150 HG1 THR 19 HG1 THR 19 18.493 -8.393 8.513 151 HG21 THR 19 3HG2 THR 19 17.836 -9.137 5.502 152 HG22 THR 19 1HG2 THR 19 16.125 -8.991 5.904 153 HG23 THR 19 2HG2 THR 19 16.839 -10.583 5.649 154 H VAL 20 H VAL 20 15.706 -7.870 8.770 155 HA VAL 20 HA VAL 20 12.858 -8.001 8.227 156 HB VAL 20 HB VAL 20 14.547 -5.573 8.876 157 HG11 VAL 20 1HG1 VAL 20 12.446 -5.009 7.797 158 HG12 VAL 20 2HG1 VAL 20 12.399 -4.555 9.501 159 HG13 VAL 20 3HG1 VAL 20 11.561 -6.008 8.950 160 HG21 VAL 20 3HG2 VAL 20 12.894 -7.305 10.709 161 HG22 VAL 20 1HG2 VAL 20 13.710 -5.808 11.161 162 HG23 VAL 20 2HG2 VAL 20 14.655 -7.216 10.676 163 H ASN 21 H ASN 21 11.969 -7.554 6.327 164 HA ASN 21 HA ASN 21 13.769 -6.722 4.174 165 HB2 ASN 21 1HB ASN 21 11.066 -8.074 4.120 166 HB3 ASN 21 2HB ASN 21 11.940 -7.568 2.677 167 HD21 ASN 21 2HD2 ASN 21 11.975 -9.712 5.433 168 HD22 ASN 21 1HD2 ASN 21 13.102 -10.852 4.783 169 H THR 22 H THR 22 13.702 -4.758 3.415 170 HA THR 22 HA THR 22 11.580 -2.931 4.097 171 HB THR 22 HB THR 22 13.892 -2.501 2.189 172 HG1 THR 22 HG1 THR 22 14.724 -3.073 4.211 173 HG21 THR 22 3HG2 THR 22 12.113 -0.826 2.032 174 HG22 THR 22 1HG2 THR 22 13.572 -0.134 2.744 175 HG23 THR 22 2HG2 THR 22 12.204 -0.559 3.773 176 H MET 23 H MET 23 9.693 -3.205 3.053 177 HA MET 23 HA MET 23 9.779 -4.008 0.230 178 HB2 MET 23 1HB MET 23 7.373 -4.027 2.049 179 HB3 MET 23 2HB MET 23 7.552 -4.830 0.494 180 HG2 MET 23 1HG MET 23 9.400 -6.176 1.552 181 HG3 MET 23 2HG MET 23 8.864 -5.525 3.098 182 HE1 MET 23 3HE MET 23 8.317 -8.034 0.275 183 HE2 MET 23 1HE MET 23 7.058 -6.878 -0.158 184 HE3 MET 23 2HE MET 23 6.618 -8.486 0.417 185 H THR 24 H THR 24 8.931 -2.781 -1.335 186 HA THR 24 HA THR 24 7.924 -0.135 -0.523 187 HB THR 24 HB THR 24 9.373 -0.828 -3.085 188 HG1 THR 24 HG1 THR 24 10.313 0.177 -0.589 189 HG21 THR 24 3HG2 THR 24 9.643 1.605 -3.278 190 HG22 THR 24 1HG2 THR 24 8.699 1.824 -1.803 191 HG23 THR 24 2HG2 THR 24 7.941 1.145 -3.244 192 H ALA 25 H ALA 25 5.744 -0.316 -0.683 193 HA ALA 25 HA ALA 25 4.537 -1.623 -2.979 194 HB1 ALA 25 3HB ALA 25 3.542 -1.949 -0.770 195 HB2 ALA 25 1HB ALA 25 2.410 -1.156 -1.865 196 HB3 ALA 25 2HB ALA 25 3.257 -0.214 -0.637 197 H THR 26 H THR 26 3.447 -0.599 -4.606 198 HA THR 26 HA THR 26 3.859 2.305 -4.769 199 HB THR 26 HB THR 26 3.197 0.415 -7.034 200 HG1 THR 26 HG1 THR 26 5.359 0.281 -5.748 201 HG21 THR 26 3HG2 THR 26 4.053 2.245 -8.435 202 HG22 THR 26 1HG2 THR 26 4.309 3.226 -6.992 203 HG23 THR 26 2HG2 THR 26 2.674 2.766 -7.467 204 H ILE 27 H ILE 27 2.140 3.382 -4.092 205 HA ILE 27 HA ILE 27 -0.546 2.345 -4.689 206 HB ILE 27 HB ILE 27 0.076 4.704 -2.921 207 HG12 ILE 27 1HG1 ILE 27 1.359 2.845 -2.019 208 HG13 ILE 27 2HG1 ILE 27 -0.024 3.167 -0.983 209 HG21 ILE 27 1HG2 ILE 27 -2.235 4.450 -3.639 210 HG22 ILE 27 2HG2 ILE 27 -2.083 4.150 -1.909 211 HG23 ILE 27 3HG2 ILE 27 -2.258 2.797 -3.026 212 HD11 ILE 27 3HD1 ILE 27 -1.191 1.259 -1.915 213 HD12 ILE 27 1HD1 ILE 27 0.383 0.780 -1.280 214 HD13 ILE 27 2HD1 ILE 27 0.152 0.959 -3.019 215 H GLU 28 H GLU 28 -1.557 3.190 -6.404 216 HA GLU 28 HA GLU 28 -0.638 5.814 -7.377 217 HB2 GLU 28 1HB GLU 28 -0.212 3.922 -8.905 218 HB3 GLU 28 2HB GLU 28 -1.933 3.567 -8.927 219 HG2 GLU 28 1HG GLU 28 -2.385 5.717 -9.960 220 HG3 GLU 28 2HG GLU 28 -0.669 6.119 -9.897 221 H ASN 29 H ASN 29 -2.044 7.439 -7.485 222 HA ASN 29 HA ASN 29 -4.805 6.953 -6.693 223 HB2 ASN 29 1HB ASN 29 -3.636 8.799 -5.617 224 HB3 ASN 29 2HB ASN 29 -3.281 9.523 -7.181 225 HD21 ASN 29 2HD2 ASN 29 -4.280 11.419 -6.490 226 HD22 ASN 29 1HD2 ASN 29 -6.008 11.574 -6.442 227 H GLN 30 H GLN 30 -5.961 6.159 -8.332 228 HA GLN 30 HA GLN 30 -5.521 7.166 -11.042 229 HB2 GLN 30 1HB GLN 30 -7.196 4.836 -10.087 230 HB3 GLN 30 2HB GLN 30 -6.821 5.225 -11.762 231 HG2 GLN 30 1HG GLN 30 -4.411 4.918 -11.215 232 HG3 GLN 30 2HG GLN 30 -4.899 4.351 -9.620 233 HE21 GLN 30 2HE2 GLN 30 -3.446 2.994 -11.744 234 HE22 GLN 30 1HE2 GLN 30 -4.359 1.557 -12.097 235 H GLY 31 H GLY 31 -6.746 8.946 -9.302 236 HA2 GLY 31 1HA GLY 31 -9.316 9.291 -10.663 237 HA3 GLY 31 2HA GLY 31 -9.297 9.324 -8.901 238 H ASN 32 H ASN 32 -9.986 11.467 -10.795 239 HA ASN 32 HA ASN 32 -7.676 13.217 -10.826 240 HB2 ASN 32 1HB ASN 32 -9.381 12.980 -12.725 241 HB3 ASN 32 2HB ASN 32 -10.450 13.965 -11.734 242 HD21 ASN 32 2HD2 ASN 32 -9.959 16.132 -11.403 243 HD22 ASN 32 1HD2 ASN 32 -8.788 16.969 -12.359 244 H LYS 33 H LYS 33 -7.997 12.868 -8.315 245 HA LYS 33 HA LYS 33 -8.396 15.564 -7.460 246 HB2 LYS 33 1HB LYS 33 -10.683 14.669 -7.149 247 HB3 LYS 33 2HB LYS 33 -10.031 13.398 -6.119 248 HG2 LYS 33 1HG LYS 33 -9.273 15.037 -4.515 249 HG3 LYS 33 2HG LYS 33 -9.812 16.348 -5.564 250 HD2 LYS 33 1HD LYS 33 -12.115 15.585 -5.344 251 HD3 LYS 33 2HD LYS 33 -11.582 14.262 -4.305 252 HE2 LYS 33 1HE LYS 33 -12.457 16.132 -2.994 253 HE3 LYS 33 2HE LYS 33 -10.745 15.854 -2.670 254 HZ1 LYS 33 3HZ LYS 33 -11.259 18.213 -2.918 255 HZ2 LYS 33 1HZ LYS 33 -11.838 17.938 -4.489 256 HZ3 LYS 33 2HZ LYS 33 -10.196 17.693 -4.131 257 H ASP 34 H ASP 34 -7.051 16.034 -5.785 258 HA ASP 34 HA ASP 34 -5.017 14.085 -5.249 259 HB2 ASP 34 1HB ASP 34 -5.325 16.828 -4.015 260 HB3 ASP 34 2HB ASP 34 -3.851 15.870 -4.127 261 H SER 35 H SER 35 -4.697 12.903 -3.446 262 HA SER 35 HA SER 35 -6.896 12.924 -1.526 263 HB2 SER 35 1HB SER 35 -6.017 10.685 -0.857 264 HB3 SER 35 2HB SER 35 -6.485 10.782 -2.553 265 HG SER 35 HG SER 35 -4.132 11.292 -2.876 266 H THR 36 H THR 36 -6.607 13.037 0.667 267 HA THR 36 HA THR 36 -4.250 14.470 1.542 268 HB THR 36 HB THR 36 -5.570 14.613 3.706 269 HG1 THR 36 HG1 THR 36 -6.987 12.926 3.584 270 HG21 THR 36 3HG2 THR 36 -6.916 15.611 1.194 271 HG22 THR 36 1HG2 THR 36 -5.597 16.414 2.047 272 HG23 THR 36 2HG2 THR 36 -7.172 16.242 2.820 273 H SER 37 H SER 37 -4.181 13.666 4.236 274 HA SER 37 HA SER 37 -2.431 11.521 4.218 275 HB2 SER 37 1HB SER 37 -2.585 13.197 6.034 276 HB3 SER 37 2HB SER 37 -4.124 12.498 6.532 277 HG SER 37 HG SER 37 -3.048 10.575 7.042 278 H PHE 38 H PHE 38 -2.696 9.425 4.042 279 HA PHE 38 HA PHE 38 -5.142 8.174 5.042 280 HB2 PHE 38 1HB PHE 38 -5.422 6.829 3.059 281 HB3 PHE 38 2HB PHE 38 -5.375 8.515 2.570 282 HD1 PHE 38 HD2 PHE 38 -3.369 9.412 1.420 283 HD2 PHE 38 HD1 PHE 38 -3.793 5.283 2.346 284 HE1 PHE 38 HE2 PHE 38 -1.578 8.867 -0.182 285 HE2 PHE 38 HE1 PHE 38 -2.013 4.738 0.749 286 HZ PHE 38 HZ PHE 38 -0.896 6.514 -0.502 287 H ASN 39 H ASN 39 -4.825 6.039 5.795 288 HA ASN 39 HA ASN 39 -1.983 5.577 6.430 289 HB2 ASN 39 1HB ASN 39 -3.640 6.005 8.274 290 HB3 ASN 39 2HB ASN 39 -4.411 4.480 7.856 291 HD21 ASN 39 2HD2 ASN 39 -3.978 3.680 9.924 292 HD22 ASN 39 1HD2 ASN 39 -2.394 3.164 10.379 293 H VAL 40 H VAL 40 -0.976 3.945 5.391 294 HA VAL 40 HA VAL 40 -2.660 1.848 4.204 295 HB VAL 40 HB VAL 40 -0.169 3.197 3.291 296 HG11 VAL 40 1HG1 VAL 40 0.489 1.309 1.875 297 HG12 VAL 40 2HG1 VAL 40 -0.721 0.292 2.658 298 HG13 VAL 40 3HG1 VAL 40 0.650 0.904 3.585 299 HG21 VAL 40 3HG2 VAL 40 -1.214 2.941 1.143 300 HG22 VAL 40 1HG2 VAL 40 -2.387 3.570 2.300 301 HG23 VAL 40 2HG2 VAL 40 -2.437 1.871 1.826 302 H SER 41 H SER 41 -2.559 -0.152 4.928 303 HA SER 41 HA SER 41 -0.377 -0.845 6.779 304 HB2 SER 41 1HB SER 41 -2.064 -2.331 7.894 305 HB3 SER 41 2HB SER 41 -2.455 -0.614 7.999 306 HG SER 41 HG SER 41 -3.497 -2.337 6.000 307 H LEU 42 H LEU 42 0.676 -2.736 6.484 308 HA LEU 42 HA LEU 42 -0.057 -4.339 4.144 309 HB2 LEU 42 1HB LEU 42 2.271 -3.556 4.333 310 HB3 LEU 42 2HB LEU 42 2.429 -4.395 5.863 311 HG LEU 42 HG LEU 42 2.086 -6.550 4.694 312 HD11 LEU 42 1HD1 LEU 42 2.196 -6.618 2.254 313 HD12 LEU 42 2HD1 LEU 42 2.169 -4.854 2.202 314 HD13 LEU 42 3HD1 LEU 42 0.771 -5.739 2.812 315 HD21 LEU 42 3HD2 LEU 42 4.319 -4.846 3.595 316 HD22 LEU 42 1HD2 LEU 42 4.265 -6.608 3.587 317 HD23 LEU 42 2HD2 LEU 42 4.340 -5.735 5.117 318 H LEU 43 H LEU 43 -1.482 -5.880 4.580 319 HA LEU 43 HA LEU 43 -1.405 -7.218 7.181 320 HB2 LEU 43 1HB LEU 43 -3.469 -7.442 4.988 321 HB3 LEU 43 2HB LEU 43 -3.593 -8.125 6.595 322 HG LEU 43 HG LEU 43 -3.339 -5.582 7.312 323 HD11 LEU 43 1HD1 LEU 43 -4.588 -5.399 4.581 324 HD12 LEU 43 2HD1 LEU 43 -3.024 -4.739 5.055 325 HD13 LEU 43 3HD1 LEU 43 -4.504 -4.103 5.772 326 HD21 LEU 43 3HD2 LEU 43 -5.783 -5.448 7.392 327 HD22 LEU 43 1HD2 LEU 43 -5.202 -7.036 7.892 328 HD23 LEU 43 2HD2 LEU 43 -5.890 -6.815 6.283 329 H VAL 44 H VAL 44 -0.355 -9.066 7.357 330 HA VAL 44 HA VAL 44 0.138 -10.668 4.948 331 HB VAL 44 HB VAL 44 1.482 -10.774 7.656 332 HG11 VAL 44 1HG1 VAL 44 3.046 -12.350 6.610 333 HG12 VAL 44 2HG1 VAL 44 2.067 -12.341 5.142 334 HG13 VAL 44 3HG1 VAL 44 1.402 -12.989 6.643 335 HG21 VAL 44 3HG2 VAL 44 2.080 -8.804 6.349 336 HG22 VAL 44 1HG2 VAL 44 2.491 -9.832 4.976 337 HG23 VAL 44 2HG2 VAL 44 3.438 -9.923 6.461 338 H ASP 45 H ASP 45 -1.569 -11.932 4.669 339 HA ASP 45 HA ASP 45 -3.014 -13.651 4.931 340 HB2 ASP 45 1HB ASP 45 -0.807 -14.402 6.804 341 HB3 ASP 45 2HB ASP 45 -2.273 -15.375 6.771 342 H GLY 46 H GLY 46 -3.289 -11.180 6.676 343 HA2 GLY 46 1HA GLY 46 -5.573 -10.983 7.648 344 HA3 GLY 46 2HA GLY 46 -5.169 -12.404 8.597 345 H ILE 47 H ILE 47 -2.382 -11.345 9.003 346 HA ILE 47 HA ILE 47 -3.086 -9.608 11.265 347 HB ILE 47 HB ILE 47 -0.367 -10.775 10.771 348 HG12 ILE 47 1HG1 ILE 47 -1.965 -12.649 10.722 349 HG13 ILE 47 2HG1 ILE 47 -0.971 -12.701 12.173 350 HG21 ILE 47 1HG2 ILE 47 -0.499 -9.047 12.454 351 HG22 ILE 47 2HG2 ILE 47 -0.160 -10.606 13.207 352 HG23 ILE 47 3HG2 ILE 47 -1.785 -9.925 13.281 353 HD11 ILE 47 3HD1 ILE 47 -2.814 -11.738 13.460 354 HD12 ILE 47 1HD1 ILE 47 -3.277 -13.247 12.674 355 HD13 ILE 47 2HD1 ILE 47 -3.807 -11.705 12.002 356 H VAL 48 H VAL 48 -1.970 -7.665 11.635 357 HA VAL 48 HA VAL 48 -0.949 -6.436 9.170 358 HB VAL 48 HB VAL 48 -1.765 -5.046 11.730 359 HG11 VAL 48 1HG1 VAL 48 -0.198 -3.766 10.378 360 HG12 VAL 48 2HG1 VAL 48 -1.801 -3.032 10.325 361 HG13 VAL 48 3HG1 VAL 48 -1.221 -3.982 8.957 362 HG21 VAL 48 3HG2 VAL 48 -3.337 -5.414 9.179 363 HG22 VAL 48 1HG2 VAL 48 -3.825 -4.430 10.559 364 HG23 VAL 48 2HG2 VAL 48 -3.683 -6.179 10.729 365 H VAL 49 H VAL 49 1.182 -6.494 8.961 366 HA VAL 49 HA VAL 49 2.828 -6.758 11.349 367 HB VAL 49 HB VAL 49 4.688 -7.255 9.792 368 HG11 VAL 49 1HG1 VAL 49 3.831 -9.430 9.042 369 HG12 VAL 49 2HG1 VAL 49 2.187 -8.887 9.374 370 HG13 VAL 49 3HG1 VAL 49 3.341 -9.062 10.696 371 HG21 VAL 49 3HG2 VAL 49 4.224 -7.614 7.420 372 HG22 VAL 49 1HG2 VAL 49 3.938 -5.934 7.876 373 HG23 VAL 49 2HG2 VAL 49 2.576 -7.032 7.647 374 H ASP 50 H ASP 50 2.180 -4.442 8.812 375 HA ASP 50 HA ASP 50 3.818 -2.488 10.210 376 HB2 ASP 50 1HB ASP 50 5.237 -3.700 8.420 377 HB3 ASP 50 2HB ASP 50 4.249 -2.838 7.246 378 H THR 51 H THR 51 3.071 -0.439 9.983 379 HA THR 51 HA THR 51 0.910 0.081 8.049 380 HB THR 51 HB THR 51 0.788 1.188 10.845 381 HG1 THR 51 HG1 THR 51 0.855 -1.131 11.010 382 HG21 THR 51 3HG2 THR 51 -1.300 0.582 8.750 383 HG22 THR 51 1HG2 THR 51 -0.663 2.174 9.158 384 HG23 THR 51 2HG2 THR 51 -1.619 1.277 10.338 385 H GLN 52 H GLN 52 1.400 1.841 6.877 386 HA GLN 52 HA GLN 52 3.087 3.904 8.129 387 HB2 GLN 52 1HB GLN 52 4.340 2.394 6.511 388 HB3 GLN 52 2HB GLN 52 3.336 3.072 5.236 389 HG2 GLN 52 1HG GLN 52 4.465 5.198 6.767 390 HG3 GLN 52 2HG GLN 52 5.741 4.080 6.290 391 HE21 GLN 52 2HE2 GLN 52 3.336 6.329 5.191 392 HE22 GLN 52 1HE2 GLN 52 3.894 6.433 3.559 393 H THR 53 H THR 53 1.941 5.697 8.262 394 HA THR 53 HA THR 53 -0.332 6.202 6.589 395 HB THR 53 HB THR 53 1.034 8.114 8.494 396 HG1 THR 53 HG1 THR 53 -0.394 5.817 8.959 397 HG21 THR 53 3HG2 THR 53 -0.596 9.156 6.994 398 HG22 THR 53 1HG2 THR 53 -1.194 9.131 8.653 399 HG23 THR 53 2HG2 THR 53 -1.808 7.969 7.477 400 H VAL 54 H VAL 54 -0.407 7.361 4.749 401 HA VAL 54 HA VAL 54 2.051 8.719 3.877 402 HB VAL 54 HB VAL 54 -0.371 8.012 2.211 403 HG11 VAL 54 1HG1 VAL 54 1.118 8.430 0.312 404 HG12 VAL 54 2HG1 VAL 54 2.405 8.892 1.425 405 HG13 VAL 54 3HG1 VAL 54 0.936 9.864 1.322 406 HG21 VAL 54 3HG2 VAL 54 2.259 6.550 2.448 407 HG22 VAL 54 1HG2 VAL 54 0.967 6.170 1.308 408 HG23 VAL 54 2HG2 VAL 54 0.698 5.979 3.041 409 H THR 55 H THR 55 2.120 10.855 3.971 410 HA THR 55 HA THR 55 0.091 12.347 5.167 411 HB THR 55 HB THR 55 2.390 13.414 3.523 412 HG1 THR 55 HG1 THR 55 3.620 13.123 5.298 413 HG21 THR 55 3HG2 THR 55 2.205 15.380 4.973 414 HG22 THR 55 1HG2 THR 55 0.814 14.659 5.784 415 HG23 THR 55 2HG2 THR 55 0.705 15.113 4.083 416 H SER 56 H SER 56 0.827 11.937 1.713 417 HA SER 56 HA SER 56 -1.794 12.678 0.971 418 HB2 SER 56 1HB SER 56 -0.891 14.939 1.544 419 HB3 SER 56 2HB SER 56 0.318 14.736 0.279 420 HG SER 56 HG SER 56 -2.365 14.348 -0.410 421 H LEU 57 H LEU 57 -2.217 12.384 -1.233 422 HA LEU 57 HA LEU 57 0.019 11.678 -2.980 423 HB2 LEU 57 1HB LEU 57 -0.722 9.546 -2.148 424 HB3 LEU 57 2HB LEU 57 -2.400 9.955 -2.448 425 HG LEU 57 HG LEU 57 -2.073 9.822 -4.834 426 HD11 LEU 57 1HD1 LEU 57 0.074 9.201 -5.811 427 HD12 LEU 57 2HD1 LEU 57 0.824 9.260 -4.217 428 HD13 LEU 57 3HD1 LEU 57 0.189 10.734 -4.946 429 HD21 LEU 57 3HD2 LEU 57 -2.528 7.737 -3.653 430 HD22 LEU 57 1HD2 LEU 57 -0.799 7.472 -3.436 431 HD23 LEU 57 2HD2 LEU 57 -1.498 7.458 -5.055 432 H GLU 58 H GLU 58 -0.127 12.975 -4.661 433 HA GLU 58 HA GLU 58 -2.452 14.506 -5.201 434 HB2 GLU 58 1HB GLU 58 -0.094 14.196 -7.051 435 HB3 GLU 58 2HB GLU 58 -1.197 15.558 -6.931 436 HG2 GLU 58 1HG GLU 58 0.543 16.431 -5.792 437 HG3 GLU 58 2HG GLU 58 -0.247 15.602 -4.451 438 H SER 59 H SER 59 -3.187 14.773 -7.528 439 HA SER 59 HA SER 59 -4.551 12.451 -8.345 440 HB2 SER 59 1HB SER 59 -4.023 14.915 -10.021 441 HB3 SER 59 2HB SER 59 -5.381 13.797 -10.157 442 HG SER 59 HG SER 59 -4.821 15.453 -7.906 443 H GLU 60 H GLU 60 -3.983 10.828 -9.631 444 HA GLU 60 HA GLU 60 -2.906 9.522 -11.129 445 HB2 GLU 60 1HB GLU 60 -2.103 12.179 -12.316 446 HB3 GLU 60 2HB GLU 60 -1.845 10.622 -13.092 447 HG2 GLU 60 1HG GLU 60 -4.262 10.243 -13.125 448 HG3 GLU 60 2HG GLU 60 -4.513 11.817 -12.364 449 H ASN 61 H ASN 61 -1.440 10.699 -8.704 450 HA ASN 61 HA ASN 61 1.304 10.278 -9.658 451 HB2 ASN 61 1HB ASN 61 0.834 12.323 -8.290 452 HB3 ASN 61 2HB ASN 61 0.405 11.274 -6.941 453 HD21 ASN 61 2HD2 ASN 61 2.059 12.125 -5.653 454 HD22 ASN 61 1HD2 ASN 61 3.719 11.724 -5.924 455 H SER 62 H SER 62 2.715 8.887 -8.378 456 HA SER 62 HA SER 62 1.240 6.702 -7.066 457 HB2 SER 62 1HB SER 62 3.797 6.395 -8.653 458 HB3 SER 62 2HB SER 62 2.740 5.116 -8.057 459 HG SER 62 HG SER 62 1.209 5.681 -9.556 460 H THR 63 H THR 63 1.830 6.345 -5.011 461 HA THR 63 HA THR 63 4.316 7.588 -4.048 462 HB THR 63 HB THR 63 1.900 6.656 -2.475 463 HG1 THR 63 HG1 THR 63 2.789 9.192 -3.386 464 HG21 THR 63 3HG2 THR 63 3.960 6.490 -1.165 465 HG22 THR 63 1HG2 THR 63 2.947 7.807 -0.578 466 HG23 THR 63 2HG2 THR 63 4.362 8.159 -1.570 467 H ASN 64 H ASN 64 5.922 6.407 -3.212 468 HA ASN 64 HA ASN 64 5.630 3.504 -3.138 469 HB2 ASN 64 1HB ASN 64 8.048 5.297 -2.838 470 HB3 ASN 64 2HB ASN 64 8.104 3.543 -2.718 471 HD21 ASN 64 2HD2 ASN 64 6.075 3.207 -4.819 472 HD22 ASN 64 1HD2 ASN 64 6.888 3.534 -6.314 473 H VAL 65 H VAL 65 5.132 2.508 -1.324 474 HA VAL 65 HA VAL 65 5.290 3.988 1.194 475 HB VAL 65 HB VAL 65 3.915 1.354 0.626 476 HG11 VAL 65 1HG1 VAL 65 2.695 1.812 2.701 477 HG12 VAL 65 2HG1 VAL 65 3.662 3.265 2.946 478 HG13 VAL 65 3HG1 VAL 65 4.431 1.678 2.981 479 HG21 VAL 65 3HG2 VAL 65 1.837 2.667 0.578 480 HG22 VAL 65 1HG2 VAL 65 2.937 3.105 -0.729 481 HG23 VAL 65 2HG2 VAL 65 2.786 4.149 0.683 482 H ASP 66 H ASP 66 6.516 3.376 2.876 483 HA ASP 66 HA ASP 66 8.572 1.366 2.318 484 HB2 ASP 66 1HB ASP 66 9.302 3.645 2.896 485 HB3 ASP 66 2HB ASP 66 8.431 3.541 4.421 486 H PHE 67 H PHE 67 8.124 -0.619 3.070 487 HA PHE 67 HA PHE 67 6.825 -0.847 5.712 488 HB2 PHE 67 1HB PHE 67 6.888 -2.778 3.392 489 HB3 PHE 67 2HB PHE 67 6.308 -3.210 4.993 490 HD1 PHE 67 HD2 PHE 67 4.633 -1.140 5.877 491 HD2 PHE 67 HD1 PHE 67 5.192 -2.545 1.898 492 HE1 PHE 67 HE2 PHE 67 2.382 -0.347 5.284 493 HE2 PHE 67 HE1 PHE 67 2.943 -1.752 1.299 494 HZ PHE 67 HZ PHE 67 1.537 -0.657 2.992 495 H HIS 68 H HIS 68 7.784 -1.999 7.317 496 HA HIS 68 HA HIS 68 10.388 -3.249 6.700 497 HB2 HIS 68 1HB HIS 68 9.460 -1.946 9.275 498 HB3 HIS 68 2HB HIS 68 10.970 -2.827 9.095 499 HD1 HIS 68 HD1 HIS 68 12.050 -0.501 9.876 500 HD2 HIS 68 HD2 HIS 68 10.256 -0.514 6.125 501 HE1 HIS 68 HE1 HIS 68 12.898 1.561 8.704 502 HE2 HIS 68 HE2 HIS 68 11.587 1.653 6.546 503 H TRP 69 H TRP 69 9.836 -5.358 6.425 504 HA TRP 69 HA TRP 69 7.968 -6.532 8.368 505 HB2 TRP 69 1HB TRP 69 7.070 -6.615 6.146 506 HB3 TRP 69 2HB TRP 69 8.569 -7.274 5.503 507 HD1 TRP 69 HD1 TRP 69 6.901 -8.684 8.668 508 HE1 TRP 69 HE1 TRP 69 6.179 -11.109 8.183 509 HE3 TRP 69 HE3 TRP 69 7.915 -8.845 3.665 510 HZ2 TRP 69 HZ2 TRP 69 6.066 -12.857 5.965 511 HZ3 TRP 69 HZ3 TRP 69 7.462 -10.924 2.432 512 HH2 TRP 69 HH2 TRP 69 6.550 -12.888 3.560 513 H THR 70 H THR 70 8.923 -7.652 9.886 514 HA THR 70 HA THR 70 11.472 -8.961 9.506 515 HB THR 70 HB THR 70 9.617 -9.225 11.879 516 HG1 THR 70 HG1 THR 70 9.993 -7.005 11.512 517 HG21 THR 70 3HG2 THR 70 11.702 -9.606 13.113 518 HG22 THR 70 1HG2 THR 70 12.619 -9.439 11.616 519 HG23 THR 70 2HG2 THR 70 11.498 -10.786 11.819 520 H LEU 71 H LEU 71 11.707 -11.012 8.799 521 HA LEU 71 HA LEU 71 9.338 -12.601 8.338 522 HB2 LEU 71 1HB LEU 71 12.031 -12.512 7.287 523 HB3 LEU 71 2HB LEU 71 11.543 -14.154 7.661 524 HG LEU 71 HG LEU 71 11.025 -13.691 5.359 525 HD11 LEU 71 1HD1 LEU 71 8.528 -13.676 7.035 526 HD12 LEU 71 2HD1 LEU 71 9.456 -15.098 6.559 527 HD13 LEU 71 3HD1 LEU 71 8.630 -14.135 5.335 528 HD21 LEU 71 3HD2 LEU 71 9.433 -11.357 6.388 529 HD22 LEU 71 1HD2 LEU 71 9.485 -11.914 4.715 530 HD23 LEU 71 2HD2 LEU 71 10.938 -11.273 5.476 531 H ASP 72 H ASP 72 8.565 -14.024 9.656 532 HA ASP 72 HA ASP 72 10.012 -14.987 11.949 533 HB2 ASP 72 1HB ASP 72 7.934 -16.209 12.448 534 HB3 ASP 72 2HB ASP 72 7.594 -14.523 12.071 535 H GLY 73 H GLY 73 8.771 -16.334 8.921 536 HA2 GLY 73 1HA GLY 73 9.892 -17.902 7.584 537 HA3 GLY 73 2HA GLY 73 10.939 -18.280 8.941 538 H THR 74 H THR 74 7.388 -18.282 8.908 539 HA THR 74 HA THR 74 7.492 -21.107 9.684 540 HB THR 74 HB THR 74 5.099 -19.259 9.792 541 HG1 THR 74 HG1 THR 74 6.316 -18.338 11.298 542 HG21 THR 74 3HG2 THR 74 4.556 -21.650 9.868 543 HG22 THR 74 1HG2 THR 74 4.251 -20.880 11.426 544 HG23 THR 74 2HG2 THR 74 5.693 -21.870 11.199 545 H ALA 75 H ALA 75 6.828 -19.123 7.020 546 HA ALA 75 HA ALA 75 5.863 -21.433 5.523 547 HB1 ALA 75 3HB ALA 75 4.084 -20.150 4.458 548 HB2 ALA 75 1HB ALA 75 4.468 -18.758 5.468 549 HB3 ALA 75 2HB ALA 75 3.840 -20.234 6.202 550 H ASN 76 H ASN 76 6.257 -21.285 3.257 551 HA ASN 76 HA ASN 76 8.491 -19.521 2.619 552 HB2 ASN 76 1HB ASN 76 7.268 -21.859 1.147 553 HB3 ASN 76 2HB ASN 76 8.565 -20.874 0.481 554 HD21 ASN 76 2HD2 ASN 76 8.562 -23.683 1.076 555 HD22 ASN 76 1HD2 ASN 76 9.825 -23.949 2.229 556 H SER 77 H SER 77 5.170 -19.527 2.303 557 HA SER 77 HA SER 77 5.315 -17.358 0.342 558 HB2 SER 77 1HB SER 77 3.321 -19.633 0.181 559 HB3 SER 77 2HB SER 77 3.404 -18.240 -0.899 560 HG SER 77 HG SER 77 5.790 -19.214 -0.975 561 H TYR 78 H TYR 78 4.352 -15.636 1.157 562 HA TYR 78 HA TYR 78 2.193 -16.039 3.123 563 HB2 TYR 78 1HB TYR 78 4.293 -13.887 2.959 564 HB3 TYR 78 2HB TYR 78 2.847 -13.730 3.951 565 HD1 TYR 78 HD1 TYR 78 2.425 -15.772 5.581 566 HD2 TYR 78 HD2 TYR 78 6.202 -14.716 3.941 567 HE1 TYR 78 HE1 TYR 78 3.547 -16.932 7.432 568 HE2 TYR 78 HE2 TYR 78 7.332 -15.877 5.781 569 HH TYR 78 HH TYR 78 6.500 -16.445 8.373 570 H THR 79 H THR 79 0.467 -14.555 3.138 571 HA THR 79 HA THR 79 -0.111 -13.458 0.481 572 HB THR 79 HB THR 79 -2.040 -13.612 2.795 573 HG1 THR 79 HG1 THR 79 -1.811 -15.716 2.643 574 HG21 THR 79 3HG2 THR 79 -2.714 -12.272 0.857 575 HG22 THR 79 1HG2 THR 79 -3.711 -13.720 1.006 576 HG23 THR 79 2HG2 THR 79 -2.429 -13.654 -0.201 577 H LEU 80 H LEU 80 1.094 -11.542 0.547 578 HA LEU 80 HA LEU 80 0.669 -9.724 2.767 579 HB2 LEU 80 1HB LEU 80 2.563 -9.854 0.483 580 HB3 LEU 80 2HB LEU 80 2.207 -8.277 1.164 581 HG LEU 80 HG LEU 80 2.948 -9.061 3.375 582 HD11 LEU 80 1HD1 LEU 80 2.427 -11.426 3.162 583 HD12 LEU 80 2HD1 LEU 80 4.122 -11.196 3.591 584 HD13 LEU 80 3HD1 LEU 80 3.680 -11.605 1.934 585 HD21 LEU 80 3HD2 LEU 80 4.944 -9.509 1.169 586 HD22 LEU 80 1HD2 LEU 80 5.325 -9.194 2.861 587 HD23 LEU 80 2HD2 LEU 80 4.519 -7.958 1.894 588 H THR 81 H THR 81 -0.957 -8.442 2.796 589 HA THR 81 HA THR 81 -2.218 -7.677 0.249 590 HB THR 81 HB THR 81 -3.627 -7.935 2.906 591 HG1 THR 81 HG1 THR 81 -2.593 -9.946 2.119 592 HG21 THR 81 3HG2 THR 81 -4.607 -8.007 0.050 593 HG22 THR 81 1HG2 THR 81 -4.775 -6.652 1.165 594 HG23 THR 81 2HG2 THR 81 -5.612 -8.170 1.491 595 H VAL 82 H VAL 82 -1.850 -5.597 -0.162 596 HA VAL 82 HA VAL 82 -1.435 -3.688 1.998 597 HB VAL 82 HB VAL 82 -1.433 -3.242 -0.994 598 HG11 VAL 82 1HG1 VAL 82 -1.927 -1.201 0.235 599 HG12 VAL 82 2HG1 VAL 82 -0.307 -1.126 -0.458 600 HG13 VAL 82 3HG1 VAL 82 -0.516 -1.458 1.261 601 HG21 VAL 82 3HG2 VAL 82 0.868 -3.602 0.924 602 HG22 VAL 82 1HG2 VAL 82 1.012 -3.166 -0.778 603 HG23 VAL 82 2HG2 VAL 82 0.360 -4.741 -0.324 604 H ASN 83 H ASN 83 -3.239 -2.999 2.992 605 HA ASN 83 HA ASN 83 -5.529 -2.326 1.271 606 HB2 ASN 83 1HB ASN 83 -6.024 -3.889 3.133 607 HB3 ASN 83 2HB ASN 83 -5.512 -2.650 4.277 608 HD21 ASN 83 2HD2 ASN 83 -6.843 -0.915 4.692 609 HD22 ASN 83 1HD2 ASN 83 -8.471 -0.818 4.116 610 H VAL 84 H VAL 84 -5.878 -0.315 0.829 611 HA VAL 84 HA VAL 84 -4.233 1.705 2.070 612 HB VAL 84 HB VAL 84 -6.125 1.814 -0.276 613 HG11 VAL 84 1HG1 VAL 84 -5.172 4.016 -0.744 614 HG12 VAL 84 2HG1 VAL 84 -4.253 3.939 0.759 615 HG13 VAL 84 3HG1 VAL 84 -6.015 3.997 0.804 616 HG21 VAL 84 3HG2 VAL 84 -4.122 1.877 -1.613 617 HG22 VAL 84 1HG2 VAL 84 -4.051 0.477 -0.541 618 HG23 VAL 84 2HG2 VAL 84 -3.112 1.925 -0.167 619 H ASP 85 H ASP 85 -4.858 2.535 3.858 620 HA ASP 85 HA ASP 85 -5.961 3.715 5.401 621 HB2 ASP 85 1HB ASP 85 -6.173 5.232 3.371 622 HB3 ASP 85 2HB ASP 85 -7.836 4.663 3.251 623 HA PRO 86 HA PRO 86 -9.378 0.770 6.137 624 HB2 PRO 86 1HB PRO 86 -8.231 0.677 8.821 625 HB3 PRO 86 2HB PRO 86 -8.496 -0.644 7.682 626 HG2 PRO 86 1HG PRO 86 -6.024 0.245 8.331 627 HG3 PRO 86 2HG PRO 86 -6.414 -0.426 6.735 628 HD2 PRO 86 1HD PRO 86 -6.151 2.441 7.578 629 HD3 PRO 86 2HD PRO 86 -5.573 1.643 6.098 630 H GLU 87 H GLU 87 -8.277 3.745 7.276 631 HA GLU 87 HA GLU 87 -10.321 4.188 9.262 632 HB2 GLU 87 1HB GLU 87 -8.416 6.144 7.955 633 HB3 GLU 87 2HB GLU 87 -9.377 6.441 9.397 634 HG2 GLU 87 1HG GLU 87 -7.211 4.363 9.168 635 HG3 GLU 87 2HG GLU 87 -7.014 5.962 9.884 636 H ASN 88 H ASN 88 -9.838 4.697 5.879 637 HA ASN 88 HA ASN 88 -11.056 5.603 4.213 638 HB2 ASN 88 1HB ASN 88 -13.247 4.869 6.144 639 HB3 ASN 88 2HB ASN 88 -13.598 5.603 4.581 640 HD21 ASN 88 2HD2 ASN 88 -11.415 4.321 3.205 641 HD22 ASN 88 1HD2 ASN 88 -11.846 2.657 3.024 642 H ALA 89 H ALA 89 -9.732 7.427 5.455 643 HA ALA 89 HA ALA 89 -11.427 9.600 6.379 644 HB1 ALA 89 3HB ALA 89 -9.334 10.826 6.653 645 HB2 ALA 89 1HB ALA 89 -8.457 9.529 5.839 646 HB3 ALA 89 2HB ALA 89 -9.228 9.231 7.397 647 H VAL 90 H VAL 90 -9.905 8.505 3.492 648 HA VAL 90 HA VAL 90 -10.530 11.008 2.100 649 HB VAL 90 HB VAL 90 -9.048 8.585 1.050 650 HG11 VAL 90 1HG1 VAL 90 -9.285 11.389 -0.032 651 HG12 VAL 90 2HG1 VAL 90 -10.035 9.942 -0.706 652 HG13 VAL 90 3HG1 VAL 90 -8.279 10.109 -0.709 653 HG21 VAL 90 3HG2 VAL 90 -7.817 9.575 2.905 654 HG22 VAL 90 1HG2 VAL 90 -7.931 11.164 2.148 655 HG23 VAL 90 2HG2 VAL 90 -6.996 9.885 1.374 656 H ASN 91 H ASN 91 -12.166 11.122 0.641 657 HA ASN 91 HA ASN 91 -13.988 8.917 0.354 658 HB2 ASN 91 1HB ASN 91 -13.840 11.602 -1.038 659 HB3 ASN 91 2HB ASN 91 -15.120 10.428 -1.316 660 HD21 ASN 91 2HD2 ASN 91 -13.741 12.703 0.911 661 HD22 ASN 91 1HD2 ASN 91 -15.086 12.755 1.997 662 H GLU 92 H GLU 92 -13.549 7.231 -0.921 663 HA GLU 92 HA GLU 92 -11.769 7.704 -3.215 664 HB2 GLU 92 1HB GLU 92 -12.071 5.196 -1.565 665 HB3 GLU 92 2HB GLU 92 -10.960 5.423 -2.910 666 HG2 GLU 92 1HG GLU 92 -9.689 7.020 -1.709 667 HG3 GLU 92 2HG GLU 92 -10.904 7.122 -0.436 668 H GLY 93 H GLY 93 -12.064 6.522 -5.089 669 HA2 GLY 93 1HA GLY 93 -14.660 6.283 -6.055 670 HA3 GLY 93 2HA GLY 93 -13.235 5.602 -6.813 671 H ASN 94 H ASN 94 -12.825 3.449 -6.656 672 HA ASN 94 HA ASN 94 -15.177 1.867 -5.966 673 HB2 ASN 94 1HB ASN 94 -13.998 1.704 -8.185 674 HB3 ASN 94 2HB ASN 94 -12.635 0.984 -7.339 675 HD21 ASN 94 2HD2 ASN 94 -12.838 -0.873 -8.577 676 HD22 ASN 94 1HD2 ASN 94 -14.092 -2.034 -8.296 677 H GLU 95 H GLU 95 -15.331 0.649 -4.189 678 HA GLU 95 HA GLU 95 -13.434 0.819 -2.132 679 HB2 GLU 95 1HB GLU 95 -15.572 -1.301 -2.353 680 HB3 GLU 95 2HB GLU 95 -14.810 -0.711 -0.887 681 HG2 GLU 95 1HG GLU 95 -16.766 0.423 -0.776 682 HG3 GLU 95 2HG GLU 95 -15.818 1.585 -1.702 683 H SER 96 H SER 96 -13.886 -1.635 -4.600 684 HA SER 96 HA SER 96 -12.262 -3.595 -3.294 685 HB2 SER 96 1HB SER 96 -12.362 -4.690 -5.608 686 HB3 SER 96 2HB SER 96 -13.896 -4.448 -4.770 687 HG SER 96 HG SER 96 -12.799 -2.728 -6.747 688 H ASN 97 H ASN 97 -11.459 -0.733 -4.655 689 HA ASN 97 HA ASN 97 -9.000 -1.621 -5.946 690 HB2 ASN 97 1HB ASN 97 -10.354 1.055 -5.651 691 HB3 ASN 97 2HB ASN 97 -8.718 0.907 -6.277 692 HD21 ASN 97 2HD2 ASN 97 -9.481 1.835 -8.217 693 HD22 ASN 97 1HD2 ASN 97 -10.332 0.866 -9.376 694 H ASN 98 H ASN 98 -10.090 -0.731 -2.894 695 HA ASN 98 HA ASN 98 -7.851 0.713 -1.921 696 HB2 ASN 98 1HB ASN 98 -10.137 -0.727 -0.612 697 HB3 ASN 98 2HB ASN 98 -8.815 -0.083 0.355 698 HD21 ASN 98 2HD2 ASN 98 -8.555 2.109 0.545 699 HD22 ASN 98 1HD2 ASN 98 -9.778 3.247 0.077 700 H THR 99 H THR 99 -8.240 -2.603 -2.608 701 HA THR 99 HA THR 99 -6.124 -3.264 -0.675 702 HB THR 99 HB THR 99 -8.135 -5.305 -1.507 703 HG1 THR 99 HG1 THR 99 -8.473 -3.385 0.594 704 HG21 THR 99 3HG2 THR 99 -6.581 -4.824 1.032 705 HG22 THR 99 1HG2 THR 99 -6.184 -6.002 -0.220 706 HG23 THR 99 2HG2 THR 99 -7.660 -6.186 0.729 707 H LEU 100 H LEU 100 -4.615 -4.757 -1.254 708 HA LEU 100 HA LEU 100 -4.580 -5.729 -4.026 709 HB2 LEU 100 1HB LEU 100 -3.092 -3.870 -4.070 710 HB3 LEU 100 2HB LEU 100 -2.380 -4.313 -2.531 711 HG LEU 100 HG LEU 100 -1.429 -6.355 -3.653 712 HD11 LEU 100 1HD1 LEU 100 -2.930 -6.499 -5.547 713 HD12 LEU 100 2HD1 LEU 100 -1.262 -6.323 -6.098 714 HD13 LEU 100 3HD1 LEU 100 -2.357 -4.941 -6.146 715 HD21 LEU 100 3HD2 LEU 100 0.385 -5.129 -4.748 716 HD22 LEU 100 1HD2 LEU 100 -0.072 -4.389 -3.213 717 HD23 LEU 100 2HD2 LEU 100 -0.601 -3.666 -4.733 718 H THR 101 H THR 101 -4.879 -7.847 -3.680 719 HA THR 101 HA THR 101 -3.556 -9.192 -1.473 720 HB THR 101 HB THR 101 -5.208 -10.480 -3.648 721 HG1 THR 101 HG1 THR 101 -6.515 -8.886 -2.772 722 HG21 THR 101 3HG2 THR 101 -5.697 -12.124 -1.888 723 HG22 THR 101 1HG2 THR 101 -4.659 -11.235 -0.773 724 HG23 THR 101 2HG2 THR 101 -3.965 -12.008 -2.198 725 H ALA 102 H ALA 102 -1.392 -9.370 -1.857 726 HA ALA 102 HA ALA 102 -0.575 -10.530 -4.441 727 HB1 ALA 102 3HB ALA 102 0.291 -8.273 -4.073 728 HB2 ALA 102 1HB ALA 102 1.592 -9.464 -4.111 729 HB3 ALA 102 2HB ALA 102 1.045 -8.806 -2.569 730 H LEU 103 H LEU 103 0.972 -12.166 -4.464 731 HA LEU 103 HA LEU 103 1.359 -13.514 -1.875 732 HB2 LEU 103 1HB LEU 103 1.059 -14.626 -4.653 733 HB3 LEU 103 2HB LEU 103 1.734 -15.572 -3.340 734 HG LEU 103 HG LEU 103 -1.044 -14.395 -3.408 735 HD11 LEU 103 1HD1 LEU 103 -0.076 -17.236 -3.658 736 HD12 LEU 103 2HD1 LEU 103 -0.778 -16.258 -4.948 737 HD13 LEU 103 3HD1 LEU 103 -1.763 -16.729 -3.561 738 HD21 LEU 103 3HD2 LEU 103 -0.160 -14.471 -1.147 739 HD22 LEU 103 1HD2 LEU 103 0.313 -16.156 -1.369 740 HD23 LEU 103 2HD2 LEU 103 -1.395 -15.712 -1.365 741 H VAL 104 H VAL 104 3.336 -13.533 -1.137 742 HA VAL 104 HA VAL 104 5.544 -13.069 -3.030 743 HB VAL 104 HB VAL 104 6.835 -12.140 -1.190 744 HG11 VAL 104 1HG1 VAL 104 5.551 -10.095 -0.790 745 HG12 VAL 104 2HG1 VAL 104 4.095 -10.898 -1.377 746 HG13 VAL 104 3HG1 VAL 104 5.448 -10.614 -2.472 747 HG21 VAL 104 3HG2 VAL 104 5.974 -13.446 0.652 748 HG22 VAL 104 1HG2 VAL 104 4.395 -12.673 0.498 749 HG23 VAL 104 2HG2 VAL 104 5.793 -11.727 1.007 750 H GLY 105 H GLY 105 7.573 -14.155 -2.586 751 HA2 GLY 105 1HA GLY 105 7.165 -16.668 -1.078 752 HA3 GLY 105 2HA GLY 105 8.015 -16.614 -2.616 753 H THR 106 H THR 106 9.269 -17.705 -0.472 754 HA THR 106 HA THR 106 11.030 -15.733 0.665 755 HB THR 106 HB THR 106 12.267 -17.760 1.508 756 HG1 THR 106 HG1 THR 106 11.039 -19.759 1.299 757 HG21 THR 106 3HG2 THR 106 10.508 -18.380 3.126 758 HG22 THR 106 1HG2 THR 106 9.311 -17.569 2.114 759 HG23 THR 106 2HG2 THR 106 10.599 -16.635 2.880 760 H LEU 107 H LEU 107 13.132 -15.325 0.066 761 HA LEU 107 HA LEU 107 13.609 -15.248 -2.660 762 HB2 LEU 107 1HB LEU 107 14.651 -13.779 -0.942 763 HB3 LEU 107 2HB LEU 107 15.706 -15.108 -0.499 764 HG LEU 107 HG LEU 107 16.611 -15.099 -2.821 765 HD11 LEU 107 1HD1 LEU 107 14.992 -12.573 -3.087 766 HD12 LEU 107 2HD1 LEU 107 14.708 -14.085 -3.948 767 HD13 LEU 107 3HD1 LEU 107 16.184 -13.165 -4.245 768 HD21 LEU 107 3HD2 LEU 107 17.981 -13.106 -2.530 769 HD22 LEU 107 1HD2 LEU 107 17.767 -13.949 -0.996 770 HD23 LEU 107 2HD2 LEU 107 16.843 -12.485 -1.336 771 H GLU 108 H GLU 108 14.113 -16.739 -4.063 772 HA GLU 108 HA GLU 108 14.900 -19.365 -3.514 773 HB2 GLU 108 1HB GLU 108 15.541 -17.823 -6.029 774 HB3 GLU 108 2HB GLU 108 15.373 -19.561 -5.868 775 HG2 GLU 108 1HG GLU 108 13.037 -19.411 -5.626 776 HG3 GLU 108 2HG GLU 108 13.101 -17.663 -5.386 777 H HIS 109 H HIS 109 16.671 -16.430 -3.875 778 HA HIS 109 HA HIS 109 18.818 -15.866 -4.195 779 HB2 HIS 109 1HB HIS 109 20.415 -16.720 -2.520 780 HB3 HIS 109 2HB HIS 109 18.894 -16.210 -1.813 781 HD1 HIS 109 HD1 HIS 109 17.466 -18.023 -0.636 782 HD2 HIS 109 HD2 HIS 109 21.023 -19.443 -2.265 783 HE1 HIS 109 HE1 HIS 109 17.807 -20.305 0.358 784 HE2 HIS 109 HE2 HIS 109 20.010 -21.110 -0.568 785 H HIS 110 H HIS 110 18.923 -16.476 -6.314 786 HA HIS 110 HA HIS 110 19.643 -19.080 -7.180 787 HB2 HIS 110 1HB HIS 110 19.712 -16.400 -8.568 788 HB3 HIS 110 2HB HIS 110 20.172 -17.897 -9.370 789 HD1 HIS 110 HD1 HIS 110 17.876 -16.423 -10.587 790 HD2 HIS 110 HD2 HIS 110 17.364 -19.208 -7.537 791 HE1 HIS 110 HE1 HIS 110 15.490 -17.195 -10.764 792 HE2 HIS 110 HE2 HIS 110 15.154 -18.757 -8.814 793 H HIS 111 H HIS 111 21.461 -16.433 -5.958 794 HA HIS 111 HA HIS 111 24.009 -17.455 -6.864 795 HB2 HIS 111 1HB HIS 111 23.365 -15.456 -4.676 796 HB3 HIS 111 2HB HIS 111 24.981 -15.835 -5.256 797 HD1 HIS 111 HD1 HIS 111 23.224 -13.054 -5.387 798 HD2 HIS 111 HD2 HIS 111 24.321 -15.592 -8.493 799 HE1 HIS 111 HE1 HIS 111 23.183 -11.639 -7.467 800 HE2 HIS 111 HE2 HIS 111 23.671 -13.239 -9.351 801 H HIS 112 H HIS 112 24.400 -19.493 -6.181 802 HA HIS 112 HA HIS 112 23.620 -20.236 -3.476 803 HB2 HIS 112 1HB HIS 112 24.481 -21.802 -5.883 804 HB3 HIS 112 2HB HIS 112 24.523 -22.536 -4.283 805 HD1 HIS 112 HD1 HIS 112 22.400 -22.357 -7.085 806 HD2 HIS 112 HD2 HIS 112 21.787 -22.071 -2.981 807 HE1 HIS 112 HE1 HIS 112 19.959 -22.846 -6.725 808 HE2 HIS 112 HE2 HIS 112 19.576 -22.482 -4.260 809 H HIS 113 H HIS 113 25.065 -19.289 -2.130 810 HA HIS 113 HA HIS 113 27.878 -19.792 -2.350 811 HB2 HIS 113 1HB HIS 113 27.973 -18.981 0.012 812 HB3 HIS 113 2HB HIS 113 27.173 -17.858 -1.078 813 HD1 HIS 113 HD1 HIS 113 24.816 -17.177 -0.520 814 HD2 HIS 113 HD2 HIS 113 26.182 -20.340 1.819 815 HE1 HIS 113 HE1 HIS 113 23.074 -17.510 1.264 816 HE2 HIS 113 HE2 HIS 113 24.034 -19.265 2.793 817 H HIS 114 H HIS 114 25.143 -21.502 -1.335 818 HA HIS 114 HA HIS 114 26.574 -23.918 -1.066 819 HB2 HIS 114 1HB HIS 114 26.995 -22.910 1.201 820 HB3 HIS 114 2HB HIS 114 25.255 -22.928 1.472 821 HD1 HIS 114 HD1 HIS 114 28.030 -25.394 0.653 822 HD2 HIS 114 HD2 HIS 114 24.352 -25.231 2.594 823 HE1 HIS 114 HE1 HIS 114 27.713 -27.660 1.703 824 HE2 HIS 114 HE2 HIS 114 25.546 -27.498 2.982 Start of MODEL 8 1 H1 MET 1 1H MET 1 -11.754 16.613 -6.736 2 H2 MET 1 2H MET 1 -12.379 17.141 -8.219 3 H3 MET 1 3H MET 1 -11.695 15.595 -8.090 4 HA MET 1 HA MET 1 -14.094 16.495 -6.628 5 HB2 MET 1 1HB MET 1 -13.828 14.876 -9.149 6 HB3 MET 1 2HB MET 1 -15.289 14.891 -8.171 7 HG2 MET 1 1HG MET 1 -15.385 17.360 -8.483 8 HG3 MET 1 2HG MET 1 -14.034 17.215 -9.607 9 HE1 MET 1 3HE MET 1 -14.726 14.425 -11.026 10 HE2 MET 1 1HE MET 1 -14.175 15.847 -11.912 11 HE3 MET 1 2HE MET 1 -15.621 14.986 -12.439 12 H ILE 2 H ILE 2 -12.656 13.517 -7.946 13 HA ILE 2 HA ILE 2 -12.679 12.393 -5.257 14 HB ILE 2 HB ILE 2 -14.885 11.905 -6.529 15 HG12 ILE 2 1HG1 ILE 2 -13.355 9.527 -5.464 16 HG13 ILE 2 2HG1 ILE 2 -14.042 10.780 -4.436 17 HG21 ILE 2 1HG2 ILE 2 -14.825 9.928 -7.978 18 HG22 ILE 2 2HG2 ILE 2 -13.062 9.925 -7.892 19 HG23 ILE 2 3HG2 ILE 2 -13.905 11.270 -8.662 20 HD11 ILE 2 3HD1 ILE 2 -16.269 10.240 -5.261 21 HD12 ILE 2 1HD1 ILE 2 -15.485 8.829 -4.550 22 HD13 ILE 2 2HD1 ILE 2 -15.584 8.993 -6.303 23 HA PRO 3 HA PRO 3 -9.073 10.438 -7.046 24 HB2 PRO 3 1HB PRO 3 -7.978 9.614 -4.764 25 HB3 PRO 3 2HB PRO 3 -8.091 11.336 -5.145 26 HG2 PRO 3 1HG PRO 3 -9.680 9.712 -3.235 27 HG3 PRO 3 2HG PRO 3 -9.234 11.423 -3.156 28 HD2 PRO 3 1HD PRO 3 -11.702 10.317 -4.044 29 HD3 PRO 3 2HD PRO 3 -11.200 12.019 -4.103 30 H ASP 4 H ASP 4 -8.043 8.329 -7.047 31 HA ASP 4 HA ASP 4 -9.587 6.091 -5.932 32 HB2 ASP 4 1HB ASP 4 -8.644 6.366 -8.783 33 HB3 ASP 4 2HB ASP 4 -8.828 4.782 -8.046 34 H LEU 5 H LEU 5 -8.206 5.378 -4.411 35 HA LEU 5 HA LEU 5 -5.333 5.561 -4.892 36 HB2 LEU 5 1HB LEU 5 -6.850 4.712 -2.423 37 HB3 LEU 5 2HB LEU 5 -5.115 4.948 -2.527 38 HG LEU 5 HG LEU 5 -7.182 7.117 -2.899 39 HD11 LEU 5 1HD1 LEU 5 -6.388 7.949 -0.745 40 HD12 LEU 5 2HD1 LEU 5 -5.339 6.539 -0.584 41 HD13 LEU 5 3HD1 LEU 5 -7.092 6.340 -0.595 42 HD21 LEU 5 3HD2 LEU 5 -5.278 8.629 -2.847 43 HD22 LEU 5 1HD2 LEU 5 -5.138 7.488 -4.184 44 HD23 LEU 5 2HD2 LEU 5 -4.178 7.256 -2.722 45 H VAL 6 H VAL 6 -4.905 3.952 -6.330 46 HA VAL 6 HA VAL 6 -5.845 1.250 -5.671 47 HB VAL 6 HB VAL 6 -4.710 2.213 -8.301 48 HG11 VAL 6 1HG1 VAL 6 -4.518 -0.188 -7.952 49 HG12 VAL 6 2HG1 VAL 6 -5.715 0.168 -9.197 50 HG13 VAL 6 3HG1 VAL 6 -6.239 -0.284 -7.576 51 HG21 VAL 6 3HG2 VAL 6 -7.598 1.887 -7.487 52 HG22 VAL 6 1HG2 VAL 6 -7.021 2.261 -9.112 53 HG23 VAL 6 2HG2 VAL 6 -6.773 3.414 -7.800 54 HA PRO 7 HA PRO 7 -1.507 0.336 -4.661 55 HB2 PRO 7 1HB PRO 7 -2.166 -2.233 -3.900 56 HB3 PRO 7 2HB PRO 7 -2.143 -0.847 -2.808 57 HG2 PRO 7 1HG PRO 7 -4.452 -2.145 -4.179 58 HG3 PRO 7 2HG PRO 7 -4.350 -1.471 -2.542 59 HD2 PRO 7 1HD PRO 7 -5.552 -0.159 -4.564 60 HD3 PRO 7 2HD PRO 7 -4.676 0.690 -3.276 61 H VAL 8 H VAL 8 -0.250 -0.223 -6.276 62 HA VAL 8 HA VAL 8 -1.495 -1.425 -8.620 63 HB VAL 8 HB VAL 8 1.277 -0.253 -8.499 64 HG11 VAL 8 1HG1 VAL 8 0.727 -1.501 -10.508 65 HG12 VAL 8 2HG1 VAL 8 0.859 0.223 -10.867 66 HG13 VAL 8 3HG1 VAL 8 -0.729 -0.529 -10.729 67 HG21 VAL 8 3HG2 VAL 8 -1.305 1.233 -8.956 68 HG22 VAL 8 1HG2 VAL 8 0.314 1.897 -9.180 69 HG23 VAL 8 2HG2 VAL 8 -0.227 1.413 -7.572 70 H SER 9 H SER 9 1.413 -1.838 -6.616 71 HA SER 9 HA SER 9 1.397 -4.663 -7.080 72 HB2 SER 9 1HB SER 9 2.523 -3.556 -9.139 73 HB3 SER 9 2HB SER 9 3.871 -3.246 -8.047 74 HG SER 9 HG SER 9 2.877 -5.666 -9.032 75 H LEU 10 H LEU 10 3.507 -5.613 -6.122 76 HA LEU 10 HA LEU 10 4.397 -4.072 -3.793 77 HB2 LEU 10 1HB LEU 10 2.578 -5.406 -2.965 78 HB3 LEU 10 2HB LEU 10 3.180 -6.834 -3.781 79 HG LEU 10 HG LEU 10 5.142 -6.837 -2.259 80 HD11 LEU 10 1HD1 LEU 10 5.192 -4.467 -1.699 81 HD12 LEU 10 2HD1 LEU 10 5.092 -5.465 -0.246 82 HD13 LEU 10 3HD1 LEU 10 3.656 -4.630 -0.843 83 HD21 LEU 10 3HD2 LEU 10 2.446 -6.880 -0.914 84 HD22 LEU 10 1HD2 LEU 10 3.920 -7.626 -0.296 85 HD23 LEU 10 2HD2 LEU 10 3.193 -8.215 -1.791 86 H THR 11 H THR 11 6.539 -4.202 -3.540 87 HA THR 11 HA THR 11 7.965 -6.561 -4.523 88 HB THR 11 HB THR 11 8.004 -4.870 -6.345 89 HG1 THR 11 HG1 THR 11 10.586 -4.637 -5.919 90 HG21 THR 11 3HG2 THR 11 7.879 -2.844 -5.003 91 HG22 THR 11 1HG2 THR 11 9.292 -2.807 -6.058 92 HG23 THR 11 2HG2 THR 11 9.481 -3.169 -4.341 93 HA PRO 12 HA PRO 12 10.230 -6.993 -4.692 94 HB2 PRO 12 1HB PRO 12 11.693 -8.790 -3.329 95 HB3 PRO 12 2HB PRO 12 12.319 -7.187 -3.730 96 HG2 PRO 12 1HG PRO 12 11.174 -8.183 -1.151 97 HG3 PRO 12 2HG PRO 12 12.597 -7.160 -1.422 98 HD2 PRO 12 1HD PRO 12 10.147 -6.193 -0.681 99 HD3 PRO 12 2HD PRO 12 11.338 -5.254 -1.602 100 H VAL 13 H VAL 13 9.423 -8.897 -5.472 101 HA VAL 13 HA VAL 13 7.203 -10.073 -4.113 102 HB VAL 13 HB VAL 13 7.057 -11.617 -6.014 103 HG11 VAL 13 1HG1 VAL 13 6.051 -9.413 -6.213 104 HG12 VAL 13 2HG1 VAL 13 6.676 -9.951 -7.772 105 HG13 VAL 13 3HG1 VAL 13 7.568 -8.760 -6.828 106 HG21 VAL 13 3HG2 VAL 13 9.427 -11.991 -6.423 107 HG22 VAL 13 1HG2 VAL 13 9.614 -10.319 -6.954 108 HG23 VAL 13 2HG2 VAL 13 8.625 -11.438 -7.893 109 H THR 14 H THR 14 10.590 -10.791 -4.304 110 HA THR 14 HA THR 14 10.103 -13.202 -2.722 111 HB THR 14 HB THR 14 12.513 -13.719 -3.311 112 HG1 THR 14 HG1 THR 14 12.000 -11.621 -5.149 113 HG21 THR 14 3HG2 THR 14 10.468 -13.702 -5.517 114 HG22 THR 14 1HG2 THR 14 10.650 -14.945 -4.278 115 HG23 THR 14 2HG2 THR 14 11.919 -14.703 -5.478 116 H VAL 15 H VAL 15 10.808 -13.239 -0.675 117 HA VAL 15 HA VAL 15 12.178 -10.809 0.275 118 HB VAL 15 HB VAL 15 11.029 -11.246 2.456 119 HG11 VAL 15 1HG1 VAL 15 10.182 -9.590 0.880 120 HG12 VAL 15 2HG1 VAL 15 8.855 -10.393 1.722 121 HG13 VAL 15 3HG1 VAL 15 9.244 -10.839 0.060 122 HG21 VAL 15 3HG2 VAL 15 9.075 -12.733 2.454 123 HG22 VAL 15 1HG2 VAL 15 10.569 -13.623 2.164 124 HG23 VAL 15 2HG2 VAL 15 9.485 -13.260 0.822 125 H VAL 16 H VAL 16 13.672 -10.955 1.945 126 HA VAL 16 HA VAL 16 15.131 -13.482 2.002 127 HB VAL 16 HB VAL 16 15.905 -10.829 3.232 128 HG11 VAL 16 1HG1 VAL 16 17.552 -13.252 2.526 129 HG12 VAL 16 2HG1 VAL 16 17.106 -12.731 4.151 130 HG13 VAL 16 3HG1 VAL 16 18.177 -11.732 3.167 131 HG21 VAL 16 3HG2 VAL 16 15.582 -10.549 0.838 132 HG22 VAL 16 1HG2 VAL 16 16.619 -11.940 0.521 133 HG23 VAL 16 2HG2 VAL 16 17.298 -10.481 1.243 134 HA PRO 17 HA PRO 17 13.083 -14.187 5.927 135 HB2 PRO 17 1HB PRO 17 13.578 -16.808 6.098 136 HB3 PRO 17 2HB PRO 17 12.443 -16.162 4.906 137 HG2 PRO 17 1HG PRO 17 15.270 -17.060 4.541 138 HG3 PRO 17 2HG PRO 17 13.868 -17.311 3.487 139 HD2 PRO 17 1HD PRO 17 15.795 -15.356 3.124 140 HD3 PRO 17 2HD PRO 17 14.157 -15.306 2.446 141 H ASN 18 H ASN 18 15.732 -13.019 6.024 142 HA ASN 18 HA ASN 18 16.457 -14.002 8.632 143 HB2 ASN 18 1HB ASN 18 18.884 -14.281 8.072 144 HB3 ASN 18 2HB ASN 18 17.837 -15.514 7.383 145 HD21 ASN 18 2HD2 ASN 18 17.616 -15.663 5.192 146 HD22 ASN 18 1HD2 ASN 18 18.599 -14.781 4.078 147 H THR 19 H THR 19 15.446 -11.557 7.371 148 HA THR 19 HA THR 19 16.951 -9.698 8.866 149 HB THR 19 HB THR 19 18.483 -9.973 6.883 150 HG1 THR 19 HG1 THR 19 18.996 -8.016 7.461 151 HG21 THR 19 3HG2 THR 19 16.783 -10.277 5.146 152 HG22 THR 19 1HG2 THR 19 17.846 -8.922 4.766 153 HG23 THR 19 2HG2 THR 19 16.227 -8.622 5.396 154 H VAL 20 H VAL 20 16.216 -7.324 7.958 155 HA VAL 20 HA VAL 20 13.304 -7.470 7.939 156 HB VAL 20 HB VAL 20 15.092 -5.038 8.156 157 HG11 VAL 20 1HG1 VAL 20 13.048 -3.893 8.906 158 HG12 VAL 20 2HG1 VAL 20 12.119 -5.357 8.576 159 HG13 VAL 20 3HG1 VAL 20 12.902 -4.492 7.253 160 HG21 VAL 20 3HG2 VAL 20 14.491 -5.047 10.528 161 HG22 VAL 20 1HG2 VAL 20 15.344 -6.523 10.077 162 HG23 VAL 20 2HG2 VAL 20 13.593 -6.546 10.295 163 H ASN 21 H ASN 21 12.227 -7.403 6.122 164 HA ASN 21 HA ASN 21 13.587 -6.605 3.678 165 HB2 ASN 21 1HB ASN 21 10.911 -7.931 4.155 166 HB3 ASN 21 2HB ASN 21 11.533 -7.513 2.561 167 HD21 ASN 21 2HD2 ASN 21 11.854 -9.608 5.303 168 HD22 ASN 21 1HD2 ASN 21 12.925 -10.749 4.568 169 H THR 22 H THR 22 13.336 -4.711 2.767 170 HA THR 22 HA THR 22 11.420 -2.808 3.761 171 HB THR 22 HB THR 22 13.209 -2.535 1.337 172 HG1 THR 22 HG1 THR 22 13.792 -2.557 4.044 173 HG21 THR 22 3HG2 THR 22 11.456 -0.836 1.540 174 HG22 THR 22 1HG2 THR 22 13.051 -0.139 1.823 175 HG23 THR 22 2HG2 THR 22 11.984 -0.482 3.185 176 H MET 23 H MET 23 9.412 -3.691 3.266 177 HA MET 23 HA MET 23 8.844 -4.593 0.591 178 HB2 MET 23 1HB MET 23 6.976 -4.196 2.934 179 HB3 MET 23 2HB MET 23 6.564 -4.989 1.423 180 HG2 MET 23 1HG MET 23 8.541 -5.916 3.486 181 HG3 MET 23 2HG MET 23 6.992 -6.650 3.081 182 HE1 MET 23 3HE MET 23 7.679 -8.009 -0.541 183 HE2 MET 23 1HE MET 23 7.001 -6.440 -0.107 184 HE3 MET 23 2HE MET 23 6.500 -7.888 0.766 185 H THR 24 H THR 24 8.465 -3.274 -0.986 186 HA THR 24 HA THR 24 7.562 -0.549 -0.389 187 HB THR 24 HB THR 24 8.848 -1.615 -2.912 188 HG1 THR 24 HG1 THR 24 10.061 -1.519 -0.732 189 HG21 THR 24 3HG2 THR 24 8.424 1.201 -1.909 190 HG22 THR 24 1HG2 THR 24 7.558 0.432 -3.240 191 HG23 THR 24 2HG2 THR 24 9.287 0.751 -3.380 192 H ALA 25 H ALA 25 5.441 -0.268 -0.635 193 HA ALA 25 HA ALA 25 4.027 -1.836 -2.678 194 HB1 ALA 25 3HB ALA 25 3.120 -1.950 -0.410 195 HB2 ALA 25 1HB ALA 25 1.980 -1.189 -1.519 196 HB3 ALA 25 2HB ALA 25 2.917 -0.199 -0.401 197 H THR 26 H THR 26 3.472 -0.904 -4.519 198 HA THR 26 HA THR 26 3.850 1.950 -4.862 199 HB THR 26 HB THR 26 2.929 -0.087 -6.903 200 HG1 THR 26 HG1 THR 26 5.519 0.677 -6.019 201 HG21 THR 26 3HG2 THR 26 2.501 2.234 -7.535 202 HG22 THR 26 1HG2 THR 26 3.783 1.542 -8.529 203 HG23 THR 26 2HG2 THR 26 4.186 2.644 -7.212 204 H ILE 27 H ILE 27 2.215 3.236 -4.225 205 HA ILE 27 HA ILE 27 -0.549 2.358 -4.761 206 HB ILE 27 HB ILE 27 0.264 4.664 -2.990 207 HG12 ILE 27 1HG1 ILE 27 1.318 2.659 -2.079 208 HG13 ILE 27 2HG1 ILE 27 -0.026 3.153 -1.058 209 HG21 ILE 27 1HG2 ILE 27 -2.043 4.672 -3.744 210 HG22 ILE 27 2HG2 ILE 27 -1.961 4.330 -2.015 211 HG23 ILE 27 3HG2 ILE 27 -2.259 3.022 -3.161 212 HD11 ILE 27 3HD1 ILE 27 -1.412 1.401 -2.009 213 HD12 ILE 27 1HD1 ILE 27 0.079 0.736 -1.336 214 HD13 ILE 27 2HD1 ILE 27 -0.093 0.926 -3.081 215 H GLU 28 H GLU 28 -1.531 3.284 -6.467 216 HA GLU 28 HA GLU 28 -0.511 5.899 -7.362 217 HB2 GLU 28 1HB GLU 28 -0.008 4.177 -8.989 218 HB3 GLU 28 2HB GLU 28 -1.682 3.643 -8.995 219 HG2 GLU 28 1HG GLU 28 -2.401 5.617 -10.077 220 HG3 GLU 28 2HG GLU 28 -0.840 6.399 -9.833 221 H ASN 29 H ASN 29 -1.867 7.541 -7.337 222 HA ASN 29 HA ASN 29 -4.683 7.062 -6.756 223 HB2 ASN 29 1HB ASN 29 -3.625 8.772 -5.421 224 HB3 ASN 29 2HB ASN 29 -3.041 9.599 -6.859 225 HD21 ASN 29 2HD2 ASN 29 -4.048 11.501 -6.202 226 HD22 ASN 29 1HD2 ASN 29 -5.761 11.728 -6.331 227 H GLN 30 H GLN 30 -5.850 6.572 -8.479 228 HA GLN 30 HA GLN 30 -5.214 7.851 -11.041 229 HB2 GLN 30 1HB GLN 30 -6.998 5.476 -10.488 230 HB3 GLN 30 2HB GLN 30 -6.463 6.040 -12.066 231 HG2 GLN 30 1HG GLN 30 -4.151 5.522 -11.465 232 HG3 GLN 30 2HG GLN 30 -4.693 4.946 -9.890 233 HE21 GLN 30 2HE2 GLN 30 -3.254 3.526 -11.954 234 HE22 GLN 30 1HE2 GLN 30 -4.242 2.167 -12.388 235 H GLY 31 H GLY 31 -6.312 9.701 -9.623 236 HA2 GLY 31 1HA GLY 31 -9.027 9.939 -10.695 237 HA3 GLY 31 2HA GLY 31 -8.804 10.165 -8.965 238 H ASN 32 H ASN 32 -9.865 12.255 -10.237 239 HA ASN 32 HA ASN 32 -7.765 13.970 -11.280 240 HB2 ASN 32 1HB ASN 32 -9.431 15.363 -12.118 241 HB3 ASN 32 2HB ASN 32 -10.179 13.777 -12.210 242 HD21 ASN 32 2HD2 ASN 32 -11.342 16.450 -12.099 243 HD22 ASN 32 1HD2 ASN 32 -12.408 16.457 -10.737 244 H LYS 33 H LYS 33 -8.661 13.173 -8.287 245 HA LYS 33 HA LYS 33 -8.133 15.874 -7.241 246 HB2 LYS 33 1HB LYS 33 -10.433 15.158 -6.737 247 HB3 LYS 33 2HB LYS 33 -9.811 13.703 -5.969 248 HG2 LYS 33 1HG LYS 33 -10.421 15.332 -4.296 249 HG3 LYS 33 2HG LYS 33 -8.673 15.086 -4.291 250 HD2 LYS 33 1HD LYS 33 -8.421 17.118 -5.678 251 HD3 LYS 33 2HD LYS 33 -10.165 17.374 -5.572 252 HE2 LYS 33 1HE LYS 33 -9.090 18.776 -3.949 253 HE3 LYS 33 2HE LYS 33 -9.938 17.487 -3.099 254 HZ1 LYS 33 3HZ LYS 33 -7.818 17.736 -2.100 255 HZ2 LYS 33 1HZ LYS 33 -7.017 17.697 -3.595 256 HZ3 LYS 33 2HZ LYS 33 -7.760 16.300 -2.995 257 H ASP 34 H ASP 34 -6.395 16.077 -6.008 258 HA ASP 34 HA ASP 34 -4.699 13.905 -5.368 259 HB2 ASP 34 1HB ASP 34 -3.415 15.500 -4.049 260 HB3 ASP 34 2HB ASP 34 -3.891 16.248 -5.568 261 H SER 35 H SER 35 -4.477 12.725 -3.545 262 HA SER 35 HA SER 35 -6.623 12.970 -1.564 263 HB2 SER 35 1HB SER 35 -5.810 10.653 -0.891 264 HB3 SER 35 2HB SER 35 -6.522 10.773 -2.501 265 HG SER 35 HG SER 35 -3.834 11.261 -2.477 266 H THR 36 H THR 36 -6.179 13.427 0.550 267 HA THR 36 HA THR 36 -3.525 14.398 1.111 268 HB THR 36 HB THR 36 -5.754 14.296 3.125 269 HG1 THR 36 HG1 THR 36 -5.503 15.913 0.809 270 HG21 THR 36 3HG2 THR 36 -4.748 16.414 3.853 271 HG22 THR 36 1HG2 THR 36 -3.565 16.302 2.549 272 HG23 THR 36 2HG2 THR 36 -3.554 15.116 3.855 273 H SER 37 H SER 37 -4.586 13.336 4.070 274 HA SER 37 HA SER 37 -2.505 11.307 3.950 275 HB2 SER 37 1HB SER 37 -2.489 13.134 5.689 276 HB3 SER 37 2HB SER 37 -3.898 12.357 6.415 277 HG SER 37 HG SER 37 -1.695 10.740 5.873 278 H PHE 38 H PHE 38 -2.946 9.251 3.784 279 HA PHE 38 HA PHE 38 -5.394 8.218 5.040 280 HB2 PHE 38 1HB PHE 38 -5.637 6.595 3.195 281 HB3 PHE 38 2HB PHE 38 -5.779 8.253 2.626 282 HD1 PHE 38 HD1 PHE 38 -3.920 9.277 1.340 283 HD2 PHE 38 HD2 PHE 38 -3.924 5.155 2.410 284 HE1 PHE 38 HE1 PHE 38 -2.206 8.834 -0.369 285 HE2 PHE 38 HE2 PHE 38 -2.208 4.708 0.706 286 HZ PHE 38 HZ PHE 38 -1.348 6.547 -0.686 287 H ASN 39 H ASN 39 -5.176 6.231 6.064 288 HA ASN 39 HA ASN 39 -2.408 5.602 6.720 289 HB2 ASN 39 1HB ASN 39 -4.138 5.967 8.505 290 HB3 ASN 39 2HB ASN 39 -4.932 4.491 7.964 291 HD21 ASN 39 2HD2 ASN 39 -4.623 3.564 9.998 292 HD22 ASN 39 1HD2 ASN 39 -3.071 2.962 10.484 293 H VAL 40 H VAL 40 -1.362 3.951 5.809 294 HA VAL 40 HA VAL 40 -2.970 1.967 4.337 295 HB VAL 40 HB VAL 40 -1.034 3.601 3.345 296 HG11 VAL 40 1HG1 VAL 40 0.959 2.244 2.885 297 HG12 VAL 40 2HG1 VAL 40 0.358 1.019 4.003 298 HG13 VAL 40 3HG1 VAL 40 0.768 2.630 4.595 299 HG21 VAL 40 3HG2 VAL 40 -2.593 2.311 2.031 300 HG22 VAL 40 1HG2 VAL 40 -1.707 0.827 2.386 301 HG23 VAL 40 2HG2 VAL 40 -0.954 2.095 1.417 302 H SER 41 H SER 41 -2.389 -0.251 4.500 303 HA SER 41 HA SER 41 -0.631 -0.899 6.749 304 HB2 SER 41 1HB SER 41 -2.456 -2.529 7.522 305 HB3 SER 41 2HB SER 41 -2.718 -0.815 7.847 306 HG SER 41 HG SER 41 -3.867 -0.921 5.689 307 H LEU 42 H LEU 42 0.475 -2.762 6.558 308 HA LEU 42 HA LEU 42 -0.069 -4.405 4.183 309 HB2 LEU 42 1HB LEU 42 2.186 -3.467 4.281 310 HB3 LEU 42 2HB LEU 42 2.430 -4.177 5.866 311 HG LEU 42 HG LEU 42 2.264 -6.431 4.872 312 HD11 LEU 42 1HD1 LEU 42 2.161 -4.964 2.241 313 HD12 LEU 42 2HD1 LEU 42 0.833 -5.868 2.969 314 HD13 LEU 42 3HD1 LEU 42 2.297 -6.710 2.458 315 HD21 LEU 42 3HD2 LEU 42 4.444 -5.381 5.156 316 HD22 LEU 42 1HD2 LEU 42 4.303 -4.641 3.561 317 HD23 LEU 42 2HD2 LEU 42 4.411 -6.394 3.714 318 H LEU 43 H LEU 43 -1.275 -6.089 4.616 319 HA LEU 43 HA LEU 43 -1.111 -7.353 7.252 320 HB2 LEU 43 1HB LEU 43 -3.109 -7.851 5.040 321 HB3 LEU 43 2HB LEU 43 -3.196 -8.458 6.681 322 HG LEU 43 HG LEU 43 -3.202 -5.869 7.267 323 HD11 LEU 43 1HD1 LEU 43 -4.481 -4.593 5.629 324 HD12 LEU 43 2HD1 LEU 43 -4.381 -5.945 4.500 325 HD13 LEU 43 3HD1 LEU 43 -2.915 -5.094 4.988 326 HD21 LEU 43 3HD2 LEU 43 -4.936 -7.465 7.876 327 HD22 LEU 43 1HD2 LEU 43 -5.602 -7.377 6.244 328 HD23 LEU 43 2HD2 LEU 43 -5.644 -5.958 7.293 329 H VAL 44 H VAL 44 -0.513 -9.454 7.516 330 HA VAL 44 HA VAL 44 0.289 -10.944 5.103 331 HB VAL 44 HB VAL 44 1.682 -10.971 7.792 332 HG11 VAL 44 1HG1 VAL 44 2.327 -12.459 5.247 333 HG12 VAL 44 2HG1 VAL 44 1.703 -13.167 6.737 334 HG13 VAL 44 3HG1 VAL 44 3.312 -12.446 6.710 335 HG21 VAL 44 3HG2 VAL 44 2.170 -8.948 6.525 336 HG22 VAL 44 1HG2 VAL 44 2.602 -9.920 5.117 337 HG23 VAL 44 2HG2 VAL 44 3.582 -10.003 6.582 338 H ASP 45 H ASP 45 -1.253 -12.408 4.870 339 HA ASP 45 HA ASP 45 -2.660 -14.140 5.250 340 HB2 ASP 45 1HB ASP 45 -0.419 -14.661 7.148 341 HB3 ASP 45 2HB ASP 45 -1.857 -15.672 7.252 342 H GLY 46 H GLY 46 -3.054 -11.565 6.775 343 HA2 GLY 46 1HA GLY 46 -5.356 -11.365 7.685 344 HA3 GLY 46 2HA GLY 46 -4.931 -12.688 8.758 345 H ILE 47 H ILE 47 -2.232 -11.634 9.268 346 HA ILE 47 HA ILE 47 -3.051 -9.758 11.352 347 HB ILE 47 HB ILE 47 -0.267 -10.811 10.987 348 HG12 ILE 47 1HG1 ILE 47 -1.773 -12.762 10.980 349 HG13 ILE 47 2HG1 ILE 47 -0.816 -12.700 12.455 350 HG21 ILE 47 1HG2 ILE 47 -0.141 -10.512 13.414 351 HG22 ILE 47 2HG2 ILE 47 -1.803 -9.921 13.415 352 HG23 ILE 47 3HG2 ILE 47 -0.544 -9.012 12.579 353 HD11 ILE 47 3HD1 ILE 47 -3.689 -11.849 12.176 354 HD12 ILE 47 1HD1 ILE 47 -2.733 -11.777 13.655 355 HD13 ILE 47 2HD1 ILE 47 -3.108 -13.337 12.923 356 H VAL 48 H VAL 48 -2.044 -7.753 11.654 357 HA VAL 48 HA VAL 48 -1.008 -6.571 9.178 358 HB VAL 48 HB VAL 48 -1.864 -5.150 11.708 359 HG11 VAL 48 1HG1 VAL 48 -1.365 -4.126 8.917 360 HG12 VAL 48 2HG1 VAL 48 -0.338 -3.859 10.325 361 HG13 VAL 48 3HG1 VAL 48 -1.960 -3.168 10.274 362 HG21 VAL 48 3HG2 VAL 48 -3.430 -5.628 9.175 363 HG22 VAL 48 1HG2 VAL 48 -3.939 -4.610 10.521 364 HG23 VAL 48 2HG2 VAL 48 -3.754 -6.349 10.751 365 H VAL 49 H VAL 49 1.141 -6.591 8.991 366 HA VAL 49 HA VAL 49 2.766 -6.774 11.403 367 HB VAL 49 HB VAL 49 4.649 -7.261 9.891 368 HG11 VAL 49 1HG1 VAL 49 3.307 -9.085 10.758 369 HG12 VAL 49 2HG1 VAL 49 3.843 -9.447 9.117 370 HG13 VAL 49 3HG1 VAL 49 2.183 -8.926 9.409 371 HG21 VAL 49 3HG2 VAL 49 3.956 -5.956 7.956 372 HG22 VAL 49 1HG2 VAL 49 2.587 -7.038 7.699 373 HG23 VAL 49 2HG2 VAL 49 4.234 -7.637 7.502 374 H ASP 50 H ASP 50 1.974 -4.480 8.934 375 HA ASP 50 HA ASP 50 3.626 -2.492 10.275 376 HB2 ASP 50 1HB ASP 50 4.956 -3.551 8.357 377 HB3 ASP 50 2HB ASP 50 3.800 -2.785 7.274 378 H THR 51 H THR 51 2.851 -0.406 10.042 379 HA THR 51 HA THR 51 0.518 0.039 8.338 380 HB THR 51 HB THR 51 0.507 0.751 11.281 381 HG1 THR 51 HG1 THR 51 -0.138 -1.579 9.967 382 HG21 THR 51 3HG2 THR 51 -1.670 0.793 9.184 383 HG22 THR 51 1HG2 THR 51 -0.863 2.206 9.864 384 HG23 THR 51 2HG2 THR 51 -1.875 1.190 10.891 385 H GLN 52 H GLN 52 1.004 1.769 7.178 386 HA GLN 52 HA GLN 52 2.654 3.886 8.401 387 HB2 GLN 52 1HB GLN 52 3.658 2.269 6.561 388 HB3 GLN 52 2HB GLN 52 2.763 3.305 5.463 389 HG2 GLN 52 1HG GLN 52 4.994 4.088 7.318 390 HG3 GLN 52 2HG GLN 52 5.007 4.083 5.556 391 HE21 GLN 52 2HE2 GLN 52 3.829 5.696 4.443 392 HE22 GLN 52 1HE2 GLN 52 3.397 7.180 5.225 393 H THR 53 H THR 53 1.455 5.677 8.580 394 HA THR 53 HA THR 53 -0.837 6.143 6.894 395 HB THR 53 HB THR 53 0.415 8.093 8.832 396 HG1 THR 53 HG1 THR 53 -1.087 5.758 9.280 397 HG21 THR 53 3HG2 THR 53 -1.316 9.007 7.361 398 HG22 THR 53 1HG2 THR 53 -1.885 8.930 9.029 399 HG23 THR 53 2HG2 THR 53 -2.423 7.726 7.857 400 H VAL 54 H VAL 54 -0.577 6.891 4.875 401 HA VAL 54 HA VAL 54 1.864 8.195 4.082 402 HB VAL 54 HB VAL 54 -0.664 7.754 2.472 403 HG11 VAL 54 1HG1 VAL 54 0.782 8.049 0.522 404 HG12 VAL 54 2HG1 VAL 54 2.142 8.409 1.586 405 HG13 VAL 54 3HG1 VAL 54 0.752 9.494 1.531 406 HG21 VAL 54 3HG2 VAL 54 1.842 6.085 2.628 407 HG22 VAL 54 1HG2 VAL 54 0.491 5.815 1.529 408 HG23 VAL 54 2HG2 VAL 54 0.259 5.644 3.269 409 H THR 55 H THR 55 2.203 10.312 3.756 410 HA THR 55 HA THR 55 0.599 12.154 5.154 411 HB THR 55 HB THR 55 2.734 12.777 3.106 412 HG1 THR 55 HG1 THR 55 2.865 12.037 5.854 413 HG21 THR 55 3HG2 THR 55 1.726 14.338 5.488 414 HG22 THR 55 1HG2 THR 55 1.419 14.724 3.795 415 HG23 THR 55 2HG2 THR 55 3.060 14.813 4.437 416 H SER 56 H SER 56 0.984 11.547 1.682 417 HA SER 56 HA SER 56 -1.600 12.350 0.997 418 HB2 SER 56 1HB SER 56 -0.815 14.612 1.587 419 HB3 SER 56 2HB SER 56 0.518 14.453 0.446 420 HG SER 56 HG SER 56 -2.101 14.075 -0.484 421 H LEU 57 H LEU 57 -2.016 12.078 -1.225 422 HA LEU 57 HA LEU 57 0.250 11.190 -2.868 423 HB2 LEU 57 1HB LEU 57 -0.877 9.196 -2.044 424 HB3 LEU 57 2HB LEU 57 -2.423 9.811 -2.594 425 HG LEU 57 HG LEU 57 -1.789 9.542 -4.900 426 HD11 LEU 57 1HD1 LEU 57 0.556 10.177 -4.730 427 HD12 LEU 57 2HD1 LEU 57 0.381 8.624 -5.548 428 HD13 LEU 57 3HD1 LEU 57 0.908 8.680 -3.865 429 HD21 LEU 57 3HD2 LEU 57 -1.024 7.120 -3.276 430 HD22 LEU 57 1HD2 LEU 57 -1.462 7.119 -4.985 431 HD23 LEU 57 2HD2 LEU 57 -2.655 7.573 -3.770 432 H GLU 58 H GLU 58 0.357 12.239 -4.697 433 HA GLU 58 HA GLU 58 -1.497 14.301 -5.312 434 HB2 GLU 58 1HB GLU 58 0.850 13.249 -6.895 435 HB3 GLU 58 2HB GLU 58 0.011 14.765 -7.196 436 HG2 GLU 58 1HG GLU 58 0.821 15.737 -5.236 437 HG3 GLU 58 2HG GLU 58 1.286 14.180 -4.551 438 H SER 59 H SER 59 -2.425 14.652 -7.458 439 HA SER 59 HA SER 59 -4.069 12.513 -8.281 440 HB2 SER 59 1HB SER 59 -3.504 15.028 -9.857 441 HB3 SER 59 2HB SER 59 -4.980 14.060 -9.850 442 HG SER 59 HG SER 59 -5.389 15.773 -8.536 443 H GLU 60 H GLU 60 -3.623 10.897 -9.595 444 HA GLU 60 HA GLU 60 -2.797 9.616 -11.252 445 HB2 GLU 60 1HB GLU 60 -2.014 12.248 -12.511 446 HB3 GLU 60 2HB GLU 60 -2.029 10.692 -13.329 447 HG2 GLU 60 1HG GLU 60 -4.472 10.544 -12.822 448 HG3 GLU 60 2HG GLU 60 -4.385 12.204 -12.235 449 H ASN 61 H ASN 61 -1.047 10.652 -8.999 450 HA ASN 61 HA ASN 61 1.537 9.972 -10.239 451 HB2 ASN 61 1HB ASN 61 1.474 12.227 -9.189 452 HB3 ASN 61 2HB ASN 61 1.069 11.475 -7.649 453 HD21 ASN 61 2HD2 ASN 61 2.948 12.325 -6.687 454 HD22 ASN 61 1HD2 ASN 61 4.507 11.646 -7.009 455 H SER 62 H SER 62 2.928 8.540 -9.069 456 HA SER 62 HA SER 62 1.419 6.684 -7.352 457 HB2 SER 62 1HB SER 62 3.985 5.968 -8.739 458 HB3 SER 62 2HB SER 62 2.660 4.918 -8.239 459 HG SER 62 HG SER 62 1.427 5.687 -9.934 460 H THR 63 H THR 63 2.105 6.314 -5.327 461 HA THR 63 HA THR 63 4.783 7.286 -4.578 462 HB THR 63 HB THR 63 2.190 7.530 -3.052 463 HG1 THR 63 HG1 THR 63 3.425 9.145 -4.645 464 HG21 THR 63 3HG2 THR 63 4.971 8.060 -1.986 465 HG22 THR 63 1HG2 THR 63 3.939 6.709 -1.512 466 HG23 THR 63 2HG2 THR 63 3.450 8.363 -1.144 467 H ASN 64 H ASN 64 6.065 5.811 -3.707 468 HA ASN 64 HA ASN 64 4.972 3.171 -3.172 469 HB2 ASN 64 1HB ASN 64 7.786 4.211 -3.474 470 HB3 ASN 64 2HB ASN 64 7.443 2.577 -2.918 471 HD21 ASN 64 2HD2 ASN 64 7.554 4.715 -5.610 472 HD22 ASN 64 1HD2 ASN 64 7.160 3.542 -6.828 473 H VAL 65 H VAL 65 4.878 2.224 -1.229 474 HA VAL 65 HA VAL 65 5.306 3.975 1.076 475 HB VAL 65 HB VAL 65 3.916 1.300 1.070 476 HG11 VAL 65 1HG1 VAL 65 4.578 2.162 3.254 477 HG12 VAL 65 2HG1 VAL 65 2.824 2.157 3.072 478 HG13 VAL 65 3HG1 VAL 65 3.720 3.669 2.924 479 HG21 VAL 65 3HG2 VAL 65 2.716 4.020 0.572 480 HG22 VAL 65 1HG2 VAL 65 1.800 2.542 0.867 481 HG23 VAL 65 2HG2 VAL 65 2.806 2.681 -0.575 482 H ASP 66 H ASP 66 6.633 3.512 2.728 483 HA ASP 66 HA ASP 66 8.600 1.396 2.317 484 HB2 ASP 66 1HB ASP 66 9.444 3.654 2.684 485 HB3 ASP 66 2HB ASP 66 8.543 3.778 4.188 486 H PHE 67 H PHE 67 7.639 -0.479 3.052 487 HA PHE 67 HA PHE 67 6.641 -0.524 5.812 488 HB2 PHE 67 1HB PHE 67 6.548 -2.598 3.621 489 HB3 PHE 67 2HB PHE 67 5.983 -2.885 5.258 490 HD1 PHE 67 HD2 PHE 67 4.225 -1.077 6.104 491 HD2 PHE 67 HD1 PHE 67 5.025 -2.021 2.036 492 HE1 PHE 67 HE2 PHE 67 1.997 -0.244 5.478 493 HE2 PHE 67 HE1 PHE 67 2.799 -1.192 1.403 494 HZ PHE 67 HZ PHE 67 1.283 -0.304 3.123 495 H HIS 68 H HIS 68 7.538 -1.844 7.398 496 HA HIS 68 HA HIS 68 10.217 -2.894 6.733 497 HB2 HIS 68 1HB HIS 68 9.204 -1.649 9.290 498 HB3 HIS 68 2HB HIS 68 10.722 -2.538 9.188 499 HD1 HIS 68 HD1 HIS 68 12.700 -1.130 8.726 500 HD2 HIS 68 HD2 HIS 68 9.189 0.589 7.313 501 HE1 HIS 68 HE1 HIS 68 13.377 1.072 7.718 502 HE2 HIS 68 HE2 HIS 68 11.268 1.965 6.657 503 H TRP 69 H TRP 69 9.916 -4.996 6.396 504 HA TRP 69 HA TRP 69 8.229 -6.486 8.276 505 HB2 TRP 69 1HB TRP 69 7.641 -6.677 5.892 506 HB3 TRP 69 2HB TRP 69 9.258 -7.269 5.538 507 HD1 TRP 69 HD1 TRP 69 8.032 -8.800 8.682 508 HE1 TRP 69 HE1 TRP 69 7.210 -11.195 8.255 509 HE3 TRP 69 HE3 TRP 69 7.882 -8.701 3.575 510 HZ2 TRP 69 HZ2 TRP 69 6.589 -12.832 6.045 511 HZ3 TRP 69 HZ3 TRP 69 7.163 -10.727 2.382 512 HH2 TRP 69 HH2 TRP 69 6.527 -12.747 3.591 513 H THR 70 H THR 70 9.577 -6.885 9.971 514 HA THR 70 HA THR 70 12.224 -7.921 9.645 515 HB THR 70 HB THR 70 10.469 -8.137 12.102 516 HG1 THR 70 HG1 THR 70 11.497 -5.939 10.878 517 HG21 THR 70 3HG2 THR 70 12.519 -9.479 12.160 518 HG22 THR 70 1HG2 THR 70 12.612 -8.135 13.298 519 HG23 THR 70 2HG2 THR 70 13.471 -8.051 11.759 520 H LEU 71 H LEU 71 12.373 -9.820 8.556 521 HA LEU 71 HA LEU 71 10.370 -11.881 9.159 522 HB2 LEU 71 1HB LEU 71 10.422 -11.041 6.843 523 HB3 LEU 71 2HB LEU 71 12.088 -11.565 6.704 524 HG LEU 71 HG LEU 71 11.430 -13.886 6.889 525 HD11 LEU 71 1HD1 LEU 71 8.616 -12.850 7.200 526 HD12 LEU 71 2HD1 LEU 71 9.578 -13.620 8.462 527 HD13 LEU 71 3HD1 LEU 71 9.085 -14.544 7.042 528 HD21 LEU 71 3HD2 LEU 71 10.084 -14.080 4.852 529 HD22 LEU 71 1HD2 LEU 71 11.366 -12.880 4.684 530 HD23 LEU 71 2HD2 LEU 71 9.702 -12.359 4.955 531 H ASP 72 H ASP 72 11.144 -13.162 10.666 532 HA ASP 72 HA ASP 72 13.889 -13.992 10.799 533 HB2 ASP 72 1HB ASP 72 12.560 -13.789 12.841 534 HB3 ASP 72 2HB ASP 72 11.425 -14.995 12.247 535 H GLY 73 H GLY 73 11.062 -15.040 9.183 536 HA2 GLY 73 1HA GLY 73 11.048 -16.545 7.387 537 HA3 GLY 73 2HA GLY 73 12.579 -17.196 7.951 538 H THR 74 H THR 74 9.104 -17.243 8.386 539 HA THR 74 HA THR 74 9.367 -19.688 9.998 540 HB THR 74 HB THR 74 6.855 -18.056 9.590 541 HG1 THR 74 HG1 THR 74 8.942 -17.831 11.520 542 HG21 THR 74 3HG2 THR 74 6.509 -20.353 10.368 543 HG22 THR 74 1HG2 THR 74 6.120 -19.191 11.638 544 HG23 THR 74 2HG2 THR 74 7.642 -20.080 11.692 545 H ALA 75 H ALA 75 8.008 -18.334 7.065 546 HA ALA 75 HA ALA 75 7.517 -21.058 6.086 547 HB1 ALA 75 3HB ALA 75 5.469 -20.320 4.969 548 HB2 ALA 75 1HB ALA 75 5.651 -18.718 5.681 549 HB3 ALA 75 2HB ALA 75 5.346 -20.114 6.716 550 H ASN 76 H ASN 76 7.103 -20.869 3.572 551 HA ASN 76 HA ASN 76 9.231 -19.123 2.536 552 HB2 ASN 76 1HB ASN 76 9.574 -20.711 0.775 553 HB3 ASN 76 2HB ASN 76 9.512 -21.608 2.287 554 HD21 ASN 76 2HD2 ASN 76 9.096 -22.607 -0.349 555 HD22 ASN 76 1HD2 ASN 76 7.491 -23.255 -0.404 556 H SER 77 H SER 77 5.931 -19.431 2.647 557 HA SER 77 HA SER 77 5.599 -17.658 0.348 558 HB2 SER 77 1HB SER 77 3.377 -18.971 -0.039 559 HB3 SER 77 2HB SER 77 4.887 -19.644 -0.654 560 HG SER 77 HG SER 77 4.965 -21.021 1.131 561 H TYR 78 H TYR 78 4.727 -15.846 1.050 562 HA TYR 78 HA TYR 78 2.877 -15.973 3.343 563 HB2 TYR 78 1HB TYR 78 4.933 -13.891 2.619 564 HB3 TYR 78 2HB TYR 78 3.634 -13.577 3.763 565 HD1 TYR 78 HD1 TYR 78 6.704 -15.538 3.168 566 HD2 TYR 78 HD2 TYR 78 3.694 -14.460 5.974 567 HE1 TYR 78 HE1 TYR 78 8.070 -16.471 4.987 568 HE2 TYR 78 HE2 TYR 78 5.049 -15.390 7.796 569 HH TYR 78 HH TYR 78 6.820 -16.837 8.223 570 H THR 79 H THR 79 1.007 -14.800 3.272 571 HA THR 79 HA THR 79 0.277 -13.772 0.626 572 HB THR 79 HB THR 79 -1.534 -14.358 2.979 573 HG1 THR 79 HG1 THR 79 -0.415 -16.242 2.135 574 HG21 THR 79 3HG2 THR 79 -2.486 -12.809 1.339 575 HG22 THR 79 1HG2 THR 79 -3.307 -14.369 1.280 576 HG23 THR 79 2HG2 THR 79 -2.124 -13.948 0.043 577 H LEU 80 H LEU 80 1.098 -11.707 0.610 578 HA LEU 80 HA LEU 80 0.565 -9.975 2.883 579 HB2 LEU 80 1HB LEU 80 2.412 -9.883 0.565 580 HB3 LEU 80 2HB LEU 80 1.880 -8.352 1.234 581 HG LEU 80 HG LEU 80 2.764 -8.992 3.433 582 HD11 LEU 80 1HD1 LEU 80 3.719 -11.483 2.034 583 HD12 LEU 80 2HD1 LEU 80 2.497 -11.399 3.301 584 HD13 LEU 80 3HD1 LEU 80 4.173 -10.984 3.663 585 HD21 LEU 80 3HD2 LEU 80 5.139 -8.884 2.866 586 HD22 LEU 80 1HD2 LEU 80 4.187 -7.763 1.893 587 HD23 LEU 80 2HD2 LEU 80 4.755 -9.278 1.190 588 H THR 81 H THR 81 -0.775 -8.293 2.871 589 HA THR 81 HA THR 81 -2.244 -7.705 0.394 590 HB THR 81 HB THR 81 -3.516 -7.934 3.132 591 HG1 THR 81 HG1 THR 81 -2.822 -9.861 1.395 592 HG21 THR 81 3HG2 THR 81 -5.620 -7.848 1.878 593 HG22 THR 81 1HG2 THR 81 -4.719 -7.664 0.373 594 HG23 THR 81 2HG2 THR 81 -4.653 -6.399 1.599 595 H VAL 82 H VAL 82 -2.136 -5.604 -0.064 596 HA VAL 82 HA VAL 82 -1.434 -3.713 2.060 597 HB VAL 82 HB VAL 82 -1.653 -3.219 -0.918 598 HG11 VAL 82 1HG1 VAL 82 -1.921 -1.197 0.413 599 HG12 VAL 82 2HG1 VAL 82 -0.377 -1.180 -0.440 600 HG13 VAL 82 3HG1 VAL 82 -0.429 -1.556 1.282 601 HG21 VAL 82 3HG2 VAL 82 0.801 -3.288 -0.931 602 HG22 VAL 82 1HG2 VAL 82 0.104 -4.836 -0.454 603 HG23 VAL 82 2HG2 VAL 82 0.791 -3.764 0.767 604 H ASN 83 H ASN 83 -3.150 -2.942 3.161 605 HA ASN 83 HA ASN 83 -5.647 -2.514 1.674 606 HB2 ASN 83 1HB ASN 83 -5.695 -3.871 3.800 607 HB3 ASN 83 2HB ASN 83 -5.271 -2.398 4.671 608 HD21 ASN 83 2HD2 ASN 83 -6.788 -0.735 4.826 609 HD22 ASN 83 1HD2 ASN 83 -8.461 -0.984 4.475 610 H VAL 84 H VAL 84 -6.135 -0.564 1.040 611 HA VAL 84 HA VAL 84 -4.542 1.672 2.018 612 HB VAL 84 HB VAL 84 -6.417 1.484 -0.348 613 HG11 VAL 84 1HG1 VAL 84 -5.467 3.643 -1.029 614 HG12 VAL 84 2HG1 VAL 84 -4.566 3.716 0.487 615 HG13 VAL 84 3HG1 VAL 84 -6.329 3.762 0.507 616 HG21 VAL 84 3HG2 VAL 84 -3.404 1.553 -0.199 617 HG22 VAL 84 1HG2 VAL 84 -4.364 1.537 -1.678 618 HG23 VAL 84 2HG2 VAL 84 -4.389 0.144 -0.596 619 H ASP 85 H ASP 85 -5.326 2.530 3.785 620 HA ASP 85 HA ASP 85 -6.610 3.709 5.199 621 HB2 ASP 85 1HB ASP 85 -6.957 5.098 3.128 622 HB3 ASP 85 2HB ASP 85 -8.473 4.234 2.887 623 HA PRO 86 HA PRO 86 -9.810 0.645 6.072 624 HB2 PRO 86 1HB PRO 86 -8.809 -0.210 8.405 625 HB3 PRO 86 2HB PRO 86 -8.162 -0.781 6.864 626 HG2 PRO 86 1HG PRO 86 -6.993 1.110 8.814 627 HG3 PRO 86 2HG PRO 86 -6.185 0.055 7.646 628 HD2 PRO 86 1HD PRO 86 -6.760 2.845 7.387 629 HD3 PRO 86 2HD PRO 86 -6.007 1.775 6.188 630 H GLU 87 H GLU 87 -9.294 3.663 6.842 631 HA GLU 87 HA GLU 87 -10.991 3.664 9.256 632 HB2 GLU 87 1HB GLU 87 -8.632 5.440 8.624 633 HB3 GLU 87 2HB GLU 87 -9.740 5.710 9.963 634 HG2 GLU 87 1HG GLU 87 -9.074 3.709 11.037 635 HG3 GLU 87 2HG GLU 87 -8.185 3.167 9.615 636 H ASN 88 H ASN 88 -10.802 4.511 6.076 637 HA ASN 88 HA ASN 88 -12.114 5.746 4.696 638 HB2 ASN 88 1HB ASN 88 -13.934 4.744 6.118 639 HB3 ASN 88 2HB ASN 88 -13.889 6.198 7.107 640 HD21 ASN 88 2HD2 ASN 88 -15.934 6.878 6.655 641 HD22 ASN 88 1HD2 ASN 88 -16.442 7.414 5.094 642 H ALA 89 H ALA 89 -9.956 7.050 5.492 643 HA ALA 89 HA ALA 89 -10.719 9.684 6.491 644 HB1 ALA 89 3HB ALA 89 -8.026 8.632 5.619 645 HB2 ALA 89 1HB ALA 89 -8.626 8.678 7.277 646 HB3 ALA 89 2HB ALA 89 -8.330 10.182 6.403 647 H VAL 90 H VAL 90 -9.713 8.058 3.560 648 HA VAL 90 HA VAL 90 -10.342 10.517 2.047 649 HB VAL 90 HB VAL 90 -8.451 8.293 1.240 650 HG11 VAL 90 1HG1 VAL 90 -9.605 9.247 -0.680 651 HG12 VAL 90 2HG1 VAL 90 -7.908 9.728 -0.672 652 HG13 VAL 90 3HG1 VAL 90 -9.151 10.871 -0.163 653 HG21 VAL 90 3HG2 VAL 90 -6.693 9.990 1.451 654 HG22 VAL 90 1HG2 VAL 90 -7.506 9.701 2.990 655 HG23 VAL 90 2HG2 VAL 90 -7.884 11.144 2.050 656 H ASN 91 H ASN 91 -12.262 10.337 1.094 657 HA ASN 91 HA ASN 91 -13.436 7.760 0.532 658 HB2 ASN 91 1HB ASN 91 -14.805 9.708 1.271 659 HB3 ASN 91 2HB ASN 91 -14.432 10.509 -0.253 660 HD21 ASN 91 2HD2 ASN 91 -16.492 10.598 -1.014 661 HD22 ASN 91 1HD2 ASN 91 -17.407 9.193 -1.462 662 H GLU 92 H GLU 92 -13.568 6.746 -1.412 663 HA GLU 92 HA GLU 92 -12.144 8.033 -3.650 664 HB2 GLU 92 1HB GLU 92 -12.112 5.124 -2.864 665 HB3 GLU 92 2HB GLU 92 -11.313 5.815 -4.267 666 HG2 GLU 92 1HG GLU 92 -9.851 7.100 -2.825 667 HG3 GLU 92 2HG GLU 92 -10.674 6.452 -1.401 668 H GLY 93 H GLY 93 -12.528 6.938 -5.740 669 HA2 GLY 93 1HA GLY 93 -15.189 6.644 -6.528 670 HA3 GLY 93 2HA GLY 93 -13.798 6.015 -7.400 671 H ASN 94 H ASN 94 -13.362 3.880 -7.349 672 HA ASN 94 HA ASN 94 -15.383 2.063 -6.564 673 HB2 ASN 94 1HB ASN 94 -12.473 1.513 -7.195 674 HB3 ASN 94 2HB ASN 94 -13.739 0.295 -7.086 675 HD21 ASN 94 2HD2 ASN 94 -11.998 0.997 -9.291 676 HD22 ASN 94 1HD2 ASN 94 -13.039 1.408 -10.613 677 H GLU 95 H GLU 95 -15.362 0.464 -4.922 678 HA GLU 95 HA GLU 95 -13.821 1.238 -2.551 679 HB2 GLU 95 1HB GLU 95 -16.330 0.949 -2.476 680 HB3 GLU 95 2HB GLU 95 -16.070 -0.769 -2.744 681 HG2 GLU 95 1HG GLU 95 -14.932 -0.997 -0.667 682 HG3 GLU 95 2HG GLU 95 -14.904 0.752 -0.429 683 H SER 96 H SER 96 -13.558 -0.791 -5.113 684 HA SER 96 HA SER 96 -12.392 -3.043 -3.717 685 HB2 SER 96 1HB SER 96 -11.910 -3.778 -6.137 686 HB3 SER 96 2HB SER 96 -13.602 -3.666 -5.650 687 HG SER 96 HG SER 96 -13.705 -2.483 -7.410 688 H ASN 97 H ASN 97 -11.377 -0.001 -4.520 689 HA ASN 97 HA ASN 97 -8.749 -0.507 -5.502 690 HB2 ASN 97 1HB ASN 97 -9.706 1.919 -3.969 691 HB3 ASN 97 2HB ASN 97 -8.257 1.814 -4.951 692 HD21 ASN 97 2HD2 ASN 97 -10.326 3.706 -5.114 693 HD22 ASN 97 1HD2 ASN 97 -11.019 3.589 -6.705 694 H ASN 98 H ASN 98 -10.209 -0.329 -2.357 695 HA ASN 98 HA ASN 98 -7.879 0.484 -0.950 696 HB2 ASN 98 1HB ASN 98 -10.435 -0.700 0.144 697 HB3 ASN 98 2HB ASN 98 -9.240 0.228 1.047 698 HD21 ASN 98 2HD2 ASN 98 -9.070 2.444 0.701 699 HD22 ASN 98 1HD2 ASN 98 -10.301 3.349 -0.110 700 H THR 99 H THR 99 -7.848 -2.249 -2.419 701 HA THR 99 HA THR 99 -6.457 -3.615 -0.264 702 HB THR 99 HB THR 99 -8.466 -5.237 -1.781 703 HG1 THR 99 HG1 THR 99 -8.898 -3.597 0.499 704 HG21 THR 99 3HG2 THR 99 -7.206 -5.536 0.942 705 HG22 THR 99 1HG2 THR 99 -6.733 -6.405 -0.517 706 HG23 THR 99 2HG2 THR 99 -8.323 -6.676 0.194 707 H LEU 100 H LEU 100 -4.981 -5.130 -0.964 708 HA LEU 100 HA LEU 100 -4.797 -5.896 -3.744 709 HB2 LEU 100 1HB LEU 100 -3.530 -3.818 -3.819 710 HB3 LEU 100 2HB LEU 100 -2.599 -4.298 -2.413 711 HG LEU 100 HG LEU 100 -1.716 -6.229 -3.789 712 HD11 LEU 100 1HD1 LEU 100 -1.846 -6.003 -6.224 713 HD12 LEU 100 2HD1 LEU 100 -2.970 -4.657 -6.034 714 HD13 LEU 100 3HD1 LEU 100 -3.432 -6.274 -5.502 715 HD21 LEU 100 3HD2 LEU 100 -0.405 -4.217 -3.339 716 HD22 LEU 100 1HD2 LEU 100 -1.100 -3.445 -4.765 717 HD23 LEU 100 2HD2 LEU 100 -0.070 -4.865 -4.944 718 H THR 101 H THR 101 -4.907 -8.018 -3.254 719 HA THR 101 HA THR 101 -3.171 -9.121 -1.181 720 HB THR 101 HB THR 101 -5.222 -10.515 -2.923 721 HG1 THR 101 HG1 THR 101 -6.386 -9.228 -1.583 722 HG21 THR 101 3HG2 THR 101 -3.521 -12.045 -2.065 723 HG22 THR 101 1HG2 THR 101 -5.068 -12.318 -1.264 724 HG23 THR 101 2HG2 THR 101 -3.786 -11.439 -0.430 725 H ALA 102 H ALA 102 -1.155 -9.629 -1.731 726 HA ALA 102 HA ALA 102 -0.692 -10.867 -4.362 727 HB1 ALA 102 3HB ALA 102 1.412 -9.654 -4.566 728 HB2 ALA 102 1HB ALA 102 1.092 -8.820 -3.045 729 HB3 ALA 102 2HB ALA 102 0.053 -8.536 -4.442 730 H LEU 103 H LEU 103 0.515 -12.671 -4.321 731 HA LEU 103 HA LEU 103 1.406 -13.672 -1.755 732 HB2 LEU 103 1HB LEU 103 1.317 -14.886 -4.512 733 HB3 LEU 103 2HB LEU 103 2.025 -15.709 -3.134 734 HG LEU 103 HG LEU 103 -0.854 -14.826 -3.334 735 HD11 LEU 103 1HD1 LEU 103 0.388 -17.564 -3.554 736 HD12 LEU 103 2HD1 LEU 103 -0.350 -16.649 -4.869 737 HD13 LEU 103 3HD1 LEU 103 -1.341 -17.215 -3.524 738 HD21 LEU 103 3HD2 LEU 103 0.605 -16.449 -1.251 739 HD22 LEU 103 1HD2 LEU 103 -1.139 -16.188 -1.306 740 HD23 LEU 103 2HD2 LEU 103 -0.052 -14.825 -1.044 741 H VAL 104 H VAL 104 3.404 -13.551 -1.024 742 HA VAL 104 HA VAL 104 5.559 -13.015 -2.958 743 HB VAL 104 HB VAL 104 6.786 -11.812 -1.255 744 HG11 VAL 104 1HG1 VAL 104 3.943 -10.813 -1.390 745 HG12 VAL 104 2HG1 VAL 104 5.198 -10.534 -2.600 746 HG13 VAL 104 3HG1 VAL 104 5.366 -9.854 -0.981 747 HG21 VAL 104 3HG2 VAL 104 6.133 -12.989 0.734 748 HG22 VAL 104 1HG2 VAL 104 4.467 -12.437 0.562 749 HG23 VAL 104 2HG2 VAL 104 5.745 -11.278 0.931 750 H GLY 105 H GLY 105 7.540 -14.093 -2.631 751 HA2 GLY 105 1HA GLY 105 7.314 -16.434 -0.837 752 HA3 GLY 105 2HA GLY 105 7.934 -16.568 -2.478 753 H THR 106 H THR 106 9.417 -17.409 -0.287 754 HA THR 106 HA THR 106 11.255 -15.401 0.522 755 HB THR 106 HB THR 106 12.677 -17.337 1.247 756 HG1 THR 106 HG1 THR 106 11.416 -18.690 -0.489 757 HG21 THR 106 3HG2 THR 106 11.070 -16.322 2.767 758 HG22 THR 106 1HG2 THR 106 11.114 -18.068 3.011 759 HG23 THR 106 2HG2 THR 106 9.782 -17.336 2.113 760 H LEU 107 H LEU 107 13.404 -15.128 -0.094 761 HA LEU 107 HA LEU 107 13.867 -14.827 -2.785 762 HB2 LEU 107 1HB LEU 107 15.087 -13.709 -0.948 763 HB3 LEU 107 2HB LEU 107 15.936 -15.207 -0.625 764 HG LEU 107 HG LEU 107 16.991 -15.096 -2.836 765 HD11 LEU 107 1HD1 LEU 107 15.226 -13.914 -4.034 766 HD12 LEU 107 2HD1 LEU 107 16.769 -13.076 -4.198 767 HD13 LEU 107 3HD1 LEU 107 15.546 -12.460 -3.088 768 HD21 LEU 107 3HD2 LEU 107 18.103 -14.096 -0.912 769 HD22 LEU 107 1HD2 LEU 107 17.274 -12.570 -1.216 770 HD23 LEU 107 2HD2 LEU 107 18.445 -13.185 -2.382 771 H GLU 108 H GLU 108 14.270 -16.154 -4.377 772 HA GLU 108 HA GLU 108 14.465 -18.934 -4.079 773 HB2 GLU 108 1HB GLU 108 13.506 -17.861 -6.046 774 HB3 GLU 108 2HB GLU 108 15.064 -17.167 -6.457 775 HG2 GLU 108 1HG GLU 108 14.869 -20.117 -6.238 776 HG3 GLU 108 2HG GLU 108 14.129 -19.332 -7.633 777 H HIS 109 H HIS 109 16.961 -16.813 -5.542 778 HA HIS 109 HA HIS 109 19.034 -18.669 -4.793 779 HB2 HIS 109 1HB HIS 109 19.017 -16.006 -6.182 780 HB3 HIS 109 2HB HIS 109 20.527 -16.660 -5.558 781 HD1 HIS 109 HD1 HIS 109 19.288 -16.290 -8.649 782 HD2 HIS 109 HD2 HIS 109 20.221 -19.757 -6.545 783 HE1 HIS 109 HE1 HIS 109 19.725 -18.045 -10.391 784 HE2 HIS 109 HE2 HIS 109 20.141 -20.167 -9.104 785 H HIS 110 H HIS 110 19.407 -18.856 -2.698 786 HA HIS 110 HA HIS 110 18.734 -16.868 -0.805 787 HB2 HIS 110 1HB HIS 110 20.528 -19.270 -0.402 788 HB3 HIS 110 2HB HIS 110 19.698 -18.359 0.855 789 HD1 HIS 110 HD1 HIS 110 19.193 -20.993 -1.706 790 HD2 HIS 110 HD2 HIS 110 16.908 -18.866 1.038 791 HE1 HIS 110 HE1 HIS 110 17.006 -22.221 -1.554 792 HE2 HIS 110 HE2 HIS 110 15.683 -20.994 0.202 793 H HIS 111 H HIS 111 19.865 -15.264 0.061 794 HA HIS 111 HA HIS 111 22.760 -15.160 -0.466 795 HB2 HIS 111 1HB HIS 111 20.806 -12.846 -0.385 796 HB3 HIS 111 2HB HIS 111 22.554 -12.678 -0.503 797 HD1 HIS 111 HD1 HIS 111 20.014 -12.069 -2.628 798 HD2 HIS 111 HD2 HIS 111 23.166 -14.777 -2.903 799 HE1 HIS 111 HE1 HIS 111 20.251 -12.595 -5.074 800 HE2 HIS 111 HE2 HIS 111 22.274 -14.090 -5.235 801 H HIS 112 H HIS 112 24.060 -14.702 1.230 802 HA HIS 112 HA HIS 112 22.720 -14.348 3.831 803 HB2 HIS 112 1HB HIS 112 25.226 -15.848 3.080 804 HB3 HIS 112 2HB HIS 112 24.872 -15.394 4.744 805 HD1 HIS 112 HD1 HIS 112 23.755 -17.699 2.003 806 HD2 HIS 112 HD2 HIS 112 22.865 -16.876 5.986 807 HE1 HIS 112 HE1 HIS 112 22.295 -19.592 2.781 808 HE2 HIS 112 HE2 HIS 112 21.970 -19.190 5.247 809 H HIS 113 H HIS 113 23.513 -12.870 5.273 810 HA HIS 113 HA HIS 113 25.339 -10.882 4.135 811 HB2 HIS 113 1HB HIS 113 23.387 -10.790 6.430 812 HB3 HIS 113 2HB HIS 113 24.613 -9.547 6.208 813 HD1 HIS 113 HD1 HIS 113 23.636 -7.559 5.139 814 HD2 HIS 113 HD2 HIS 113 21.924 -11.069 3.700 815 HE1 HIS 113 HE1 HIS 113 21.935 -6.837 3.432 816 HE2 HIS 113 HE2 HIS 113 20.781 -8.962 2.721 817 H HIS 114 H HIS 114 27.361 -11.578 4.449 818 HA HIS 114 HA HIS 114 28.119 -12.649 7.067 819 HB2 HIS 114 1HB HIS 114 28.732 -13.907 4.991 820 HB3 HIS 114 2HB HIS 114 29.732 -12.542 4.505 821 HD1 HIS 114 HD1 HIS 114 29.694 -15.542 6.646 822 HD2 HIS 114 HD2 HIS 114 32.086 -12.185 6.110 823 HE1 HIS 114 HE1 HIS 114 31.863 -16.062 7.807 824 HE2 HIS 114 HE2 HIS 114 33.346 -14.078 7.348 Start of MODEL 9 1 H1 MET 1 1H MET 1 -15.544 15.815 -7.367 2 H2 MET 1 2H MET 1 -15.379 14.554 -8.486 3 H3 MET 1 3H MET 1 -14.925 16.125 -8.917 4 HA MET 1 HA MET 1 -12.985 14.844 -8.485 5 HB2 MET 1 1HB MET 1 -13.639 16.879 -6.353 6 HB3 MET 1 2HB MET 1 -12.038 16.180 -6.555 7 HG2 MET 1 1HG MET 1 -12.007 17.042 -8.873 8 HG3 MET 1 2HG MET 1 -13.550 17.836 -8.559 9 HE1 MET 1 3HE MET 1 -12.285 20.077 -9.427 10 HE2 MET 1 1HE MET 1 -10.757 19.208 -9.560 11 HE3 MET 1 2HE MET 1 -10.835 20.721 -8.658 12 H ILE 2 H ILE 2 -12.690 12.837 -7.881 13 HA ILE 2 HA ILE 2 -12.877 12.214 -5.040 14 HB ILE 2 HB ILE 2 -15.002 11.442 -6.208 15 HG12 ILE 2 1HG1 ILE 2 -13.329 9.240 -4.986 16 HG13 ILE 2 2HG1 ILE 2 -14.138 10.498 -4.057 17 HG21 ILE 2 1HG2 ILE 2 -14.025 10.716 -8.307 18 HG22 ILE 2 2HG2 ILE 2 -14.869 9.378 -7.527 19 HG23 ILE 2 3HG2 ILE 2 -13.106 9.463 -7.468 20 HD11 ILE 2 3HD1 ILE 2 -16.297 9.720 -4.888 21 HD12 ILE 2 1HD1 ILE 2 -15.419 8.440 -4.050 22 HD13 ILE 2 2HD1 ILE 2 -15.483 8.457 -5.813 23 HA PRO 3 HA PRO 3 -8.944 10.406 -6.126 24 HB2 PRO 3 1HB PRO 3 -8.976 9.102 -3.516 25 HB3 PRO 3 2HB PRO 3 -7.923 10.391 -4.104 26 HG2 PRO 3 1HG PRO 3 -9.810 10.791 -2.201 27 HG3 PRO 3 2HG PRO 3 -9.317 12.052 -3.345 28 HD2 PRO 3 1HD PRO 3 -11.736 10.285 -3.396 29 HD3 PRO 3 2HD PRO 3 -11.597 12.018 -3.770 30 H ASP 4 H ASP 4 -7.985 8.338 -6.417 31 HA ASP 4 HA ASP 4 -9.600 5.964 -5.904 32 HB2 ASP 4 1HB ASP 4 -10.098 6.865 -8.253 33 HB3 ASP 4 2HB ASP 4 -8.431 6.476 -8.650 34 H LEU 5 H LEU 5 -8.109 5.173 -4.474 35 HA LEU 5 HA LEU 5 -5.273 5.567 -5.040 36 HB2 LEU 5 1HB LEU 5 -6.593 4.476 -2.557 37 HB3 LEU 5 2HB LEU 5 -4.924 4.990 -2.717 38 HG LEU 5 HG LEU 5 -7.339 6.794 -2.907 39 HD11 LEU 5 1HD1 LEU 5 -5.264 6.511 -0.740 40 HD12 LEU 5 2HD1 LEU 5 -6.944 5.985 -0.640 41 HD13 LEU 5 3HD1 LEU 5 -6.565 7.701 -0.783 42 HD21 LEU 5 3HD2 LEU 5 -4.402 7.452 -2.917 43 HD22 LEU 5 1HD2 LEU 5 -5.728 8.612 -2.940 44 HD23 LEU 5 2HD2 LEU 5 -5.476 7.531 -4.312 45 H VAL 6 H VAL 6 -4.501 4.053 -6.344 46 HA VAL 6 HA VAL 6 -5.394 1.279 -5.982 47 HB VAL 6 HB VAL 6 -3.932 2.449 -8.351 48 HG11 VAL 6 1HG1 VAL 6 -5.461 -0.130 -8.016 49 HG12 VAL 6 2HG1 VAL 6 -3.709 0.037 -8.145 50 HG13 VAL 6 3HG1 VAL 6 -4.738 0.450 -9.517 51 HG21 VAL 6 3HG2 VAL 6 -6.099 2.496 -9.486 52 HG22 VAL 6 1HG2 VAL 6 -6.071 3.574 -8.089 53 HG23 VAL 6 2HG2 VAL 6 -6.893 2.016 -7.987 54 HA PRO 7 HA PRO 7 -1.149 0.412 -4.615 55 HB2 PRO 7 1HB PRO 7 -1.794 -2.124 -3.827 56 HB3 PRO 7 2HB PRO 7 -1.937 -0.714 -2.777 57 HG2 PRO 7 1HG PRO 7 -4.053 -2.145 -4.316 58 HG3 PRO 7 2HG PRO 7 -4.129 -1.440 -2.692 59 HD2 PRO 7 1HD PRO 7 -5.179 -0.225 -4.881 60 HD3 PRO 7 2HD PRO 7 -4.532 0.675 -3.496 61 H VAL 8 H VAL 8 -0.072 0.195 -6.467 62 HA VAL 8 HA VAL 8 -1.222 -1.253 -8.678 63 HB VAL 8 HB VAL 8 1.454 0.144 -8.644 64 HG11 VAL 8 1HG1 VAL 8 0.935 0.538 -11.023 65 HG12 VAL 8 2HG1 VAL 8 -0.532 -0.422 -10.839 66 HG13 VAL 8 3HG1 VAL 8 1.049 -1.177 -10.621 67 HG21 VAL 8 3HG2 VAL 8 0.296 2.173 -9.379 68 HG22 VAL 8 1HG2 VAL 8 -0.199 1.693 -7.756 69 HG23 VAL 8 2HG2 VAL 8 -1.256 1.374 -9.131 70 H SER 9 H SER 9 1.801 -1.434 -6.803 71 HA SER 9 HA SER 9 1.998 -4.259 -7.439 72 HB2 SER 9 1HB SER 9 4.189 -2.299 -8.149 73 HB3 SER 9 2HB SER 9 4.331 -4.054 -8.223 74 HG SER 9 HG SER 9 2.481 -3.951 -9.704 75 H LEU 10 H LEU 10 3.838 -5.289 -6.280 76 HA LEU 10 HA LEU 10 4.661 -3.876 -3.851 77 HB2 LEU 10 1HB LEU 10 2.681 -5.020 -3.139 78 HB3 LEU 10 2HB LEU 10 3.162 -6.492 -3.953 79 HG LEU 10 HG LEU 10 4.934 -6.863 -2.325 80 HD11 LEU 10 1HD1 LEU 10 5.502 -4.533 -1.843 81 HD12 LEU 10 2HD1 LEU 10 5.183 -5.450 -0.368 82 HD13 LEU 10 3HD1 LEU 10 3.966 -4.335 -0.996 83 HD21 LEU 10 3HD2 LEU 10 2.731 -7.747 -1.836 84 HD22 LEU 10 1HD2 LEU 10 2.277 -6.231 -1.057 85 HD23 LEU 10 2HD2 LEU 10 3.536 -7.244 -0.349 86 H THR 11 H THR 11 6.800 -3.901 -4.130 87 HA THR 11 HA THR 11 8.066 -6.446 -4.922 88 HB THR 11 HB THR 11 9.863 -4.984 -5.969 89 HG1 THR 11 HG1 THR 11 8.523 -3.063 -4.859 90 HG21 THR 11 3HG2 THR 11 8.592 -4.626 -8.041 91 HG22 THR 11 1HG2 THR 11 7.087 -4.881 -7.158 92 HG23 THR 11 2HG2 THR 11 8.245 -6.202 -7.330 93 HA PRO 12 HA PRO 12 9.979 -7.239 -5.125 94 HB2 PRO 12 1HB PRO 12 11.474 -8.937 -3.342 95 HB3 PRO 12 2HB PRO 12 12.066 -8.029 -4.734 96 HG2 PRO 12 1HG PRO 12 12.749 -7.473 -2.136 97 HG3 PRO 12 2HG PRO 12 12.777 -6.282 -3.449 98 HD2 PRO 12 1HD PRO 12 10.695 -6.734 -1.340 99 HD3 PRO 12 2HD PRO 12 11.331 -5.204 -1.987 100 H VAL 13 H VAL 13 9.155 -9.370 -5.441 101 HA VAL 13 HA VAL 13 6.966 -9.957 -3.636 102 HB VAL 13 HB VAL 13 6.257 -11.613 -5.292 103 HG11 VAL 13 1HG1 VAL 13 5.560 -9.303 -5.570 104 HG12 VAL 13 2HG1 VAL 13 5.807 -10.068 -7.139 105 HG13 VAL 13 3HG1 VAL 13 7.020 -8.959 -6.499 106 HG21 VAL 13 3HG2 VAL 13 8.427 -12.401 -6.042 107 HG22 VAL 13 1HG2 VAL 13 8.763 -10.831 -6.774 108 HG23 VAL 13 2HG2 VAL 13 7.469 -11.843 -7.414 109 H THR 14 H THR 14 10.159 -11.025 -4.000 110 HA THR 14 HA THR 14 9.561 -13.334 -2.284 111 HB THR 14 HB THR 14 12.102 -13.804 -3.037 112 HG1 THR 14 HG1 THR 14 11.129 -13.094 -5.536 113 HG21 THR 14 3HG2 THR 14 10.251 -15.398 -3.161 114 HG22 THR 14 1HG2 THR 14 11.213 -15.424 -4.639 115 HG23 THR 14 2HG2 THR 14 9.656 -14.595 -4.615 116 H VAL 15 H VAL 15 10.276 -13.234 -0.246 117 HA VAL 15 HA VAL 15 12.113 -11.029 0.425 118 HB VAL 15 HB VAL 15 11.081 -11.001 2.651 119 HG11 VAL 15 1HG1 VAL 15 8.918 -10.055 1.995 120 HG12 VAL 15 2HG1 VAL 15 9.093 -10.776 0.395 121 HG13 VAL 15 3HG1 VAL 15 10.215 -9.523 0.925 122 HG21 VAL 15 3HG2 VAL 15 9.019 -12.269 3.074 123 HG22 VAL 15 1HG2 VAL 15 10.400 -13.331 2.805 124 HG23 VAL 15 2HG2 VAL 15 9.212 -13.087 1.525 125 H VAL 16 H VAL 16 13.407 -11.389 2.421 126 HA VAL 16 HA VAL 16 14.303 -14.192 2.561 127 HB VAL 16 HB VAL 16 15.926 -11.826 3.489 128 HG11 VAL 16 1HG1 VAL 16 16.679 -14.615 2.647 129 HG12 VAL 16 2HG1 VAL 16 16.622 -14.000 4.298 130 HG13 VAL 16 3HG1 VAL 16 17.805 -13.357 3.157 131 HG21 VAL 16 3HG2 VAL 16 15.404 -11.429 1.142 132 HG22 VAL 16 1HG2 VAL 16 15.948 -13.056 0.732 133 HG23 VAL 16 2HG2 VAL 16 17.100 -11.865 1.338 134 HA PRO 17 HA PRO 17 12.462 -13.918 6.657 135 HB2 PRO 17 1HB PRO 17 13.301 -16.690 6.986 136 HB3 PRO 17 2HB PRO 17 11.672 -16.033 6.849 137 HG2 PRO 17 1HG PRO 17 12.807 -17.555 4.920 138 HG3 PRO 17 2HG PRO 17 11.613 -16.290 4.573 139 HD2 PRO 17 1HD PRO 17 14.598 -16.205 4.315 140 HD3 PRO 17 2HD PRO 17 13.349 -15.570 3.220 141 H ASN 18 H ASN 18 15.284 -13.172 6.178 142 HA ASN 18 HA ASN 18 16.643 -14.332 8.516 143 HB2 ASN 18 1HB ASN 18 17.682 -12.863 6.089 144 HB3 ASN 18 2HB ASN 18 18.685 -13.265 7.475 145 HD21 ASN 18 2HD2 ASN 18 19.994 -14.417 6.051 146 HD22 ASN 18 1HD2 ASN 18 19.571 -15.996 5.503 147 H THR 19 H THR 19 15.357 -11.408 7.181 148 HA THR 19 HA THR 19 16.118 -9.868 9.514 149 HB THR 19 HB THR 19 18.097 -9.671 8.061 150 HG1 THR 19 HG1 THR 19 17.353 -7.145 7.590 151 HG21 THR 19 3HG2 THR 19 16.188 -8.536 6.018 152 HG22 THR 19 1HG2 THR 19 17.043 -10.074 5.904 153 HG23 THR 19 2HG2 THR 19 17.946 -8.558 5.881 154 H VAL 20 H VAL 20 15.346 -7.456 9.040 155 HA VAL 20 HA VAL 20 12.561 -7.602 8.391 156 HB VAL 20 HB VAL 20 14.295 -5.177 8.923 157 HG11 VAL 20 1HG1 VAL 20 11.289 -5.455 8.862 158 HG12 VAL 20 2HG1 VAL 20 12.279 -4.579 7.694 159 HG13 VAL 20 3HG1 VAL 20 12.178 -4.014 9.361 160 HG21 VAL 20 3HG2 VAL 20 13.326 -5.238 11.163 161 HG22 VAL 20 1HG2 VAL 20 14.212 -6.720 10.812 162 HG23 VAL 20 2HG2 VAL 20 12.449 -6.710 10.748 163 H ASN 21 H ASN 21 11.694 -7.425 6.449 164 HA ASN 21 HA ASN 21 13.429 -6.668 4.226 165 HB2 ASN 21 1HB ASN 21 10.735 -8.044 4.307 166 HB3 ASN 21 2HB ASN 21 11.559 -7.601 2.816 167 HD21 ASN 21 2HD2 ASN 21 11.613 -9.676 5.606 168 HD22 ASN 21 1HD2 ASN 21 12.766 -10.809 4.993 169 H THR 22 H THR 22 13.316 -4.754 3.313 170 HA THR 22 HA THR 22 11.103 -2.976 3.974 171 HB THR 22 HB THR 22 13.562 -2.365 2.320 172 HG1 THR 22 HG1 THR 22 14.097 -3.007 4.479 173 HG21 THR 22 3HG2 THR 22 11.614 -0.566 3.773 174 HG22 THR 22 1HG2 THR 22 11.711 -0.785 2.024 175 HG23 THR 22 2HG2 THR 22 13.050 -0.035 2.896 176 H MET 23 H MET 23 9.379 -3.597 2.793 177 HA MET 23 HA MET 23 9.755 -4.164 -0.049 178 HB2 MET 23 1HB MET 23 7.348 -4.601 1.727 179 HB3 MET 23 2HB MET 23 7.467 -5.071 0.034 180 HG2 MET 23 1HG MET 23 9.329 -6.560 0.591 181 HG3 MET 23 2HG MET 23 9.161 -6.118 2.288 182 HE1 MET 23 3HE MET 23 7.580 -8.034 -0.752 183 HE2 MET 23 1HE MET 23 6.441 -6.720 -0.452 184 HE3 MET 23 2HE MET 23 5.971 -8.387 -0.130 185 H THR 24 H THR 24 8.897 -2.965 -1.629 186 HA THR 24 HA THR 24 7.728 -0.404 -0.789 187 HB THR 24 HB THR 24 9.210 -1.043 -3.348 188 HG1 THR 24 HG1 THR 24 10.162 0.497 -1.138 189 HG21 THR 24 3HG2 THR 24 7.646 0.822 -3.562 190 HG22 THR 24 1HG2 THR 24 9.315 1.391 -3.607 191 HG23 THR 24 2HG2 THR 24 8.355 1.589 -2.141 192 H ALA 25 H ALA 25 5.624 -0.278 -1.107 193 HA ALA 25 HA ALA 25 4.403 -1.664 -3.395 194 HB1 ALA 25 3HB ALA 25 3.463 -2.228 -1.211 195 HB2 ALA 25 1HB ALA 25 2.281 -1.391 -2.216 196 HB3 ALA 25 2HB ALA 25 3.107 -0.525 -0.921 197 H THR 26 H THR 26 3.925 -0.440 -5.115 198 HA THR 26 HA THR 26 4.049 2.440 -4.911 199 HB THR 26 HB THR 26 3.409 0.749 -7.340 200 HG1 THR 26 HG1 THR 26 5.925 1.830 -6.510 201 HG21 THR 26 3HG2 THR 26 2.783 3.100 -7.576 202 HG22 THR 26 1HG2 THR 26 4.172 2.718 -8.593 203 HG23 THR 26 2HG2 THR 26 4.403 3.590 -7.077 204 H ILE 27 H ILE 27 2.311 3.524 -4.216 205 HA ILE 27 HA ILE 27 -0.364 2.544 -4.962 206 HB ILE 27 HB ILE 27 0.227 4.760 -3.000 207 HG12 ILE 27 1HG1 ILE 27 1.358 2.763 -2.187 208 HG13 ILE 27 2HG1 ILE 27 -0.056 3.100 -1.197 209 HG21 ILE 27 1HG2 ILE 27 -2.014 4.232 -2.155 210 HG22 ILE 27 2HG2 ILE 27 -2.185 2.995 -3.400 211 HG23 ILE 27 3HG2 ILE 27 -2.044 4.693 -3.858 212 HD11 ILE 27 3HD1 ILE 27 0.206 0.725 -1.633 213 HD12 ILE 27 1HD1 ILE 27 0.125 1.026 -3.369 214 HD13 ILE 27 2HD1 ILE 27 -1.281 1.344 -2.353 215 H GLU 28 H GLU 28 -1.352 3.519 -6.615 216 HA GLU 28 HA GLU 28 -0.438 6.226 -7.333 217 HB2 GLU 28 1HB GLU 28 0.270 4.590 -8.985 218 HB3 GLU 28 2HB GLU 28 -1.374 3.987 -9.136 219 HG2 GLU 28 1HG GLU 28 -2.089 5.858 -10.287 220 HG3 GLU 28 2HG GLU 28 -0.731 6.840 -9.737 221 H ASN 29 H ASN 29 -1.904 7.780 -7.317 222 HA ASN 29 HA ASN 29 -4.687 7.090 -6.801 223 HB2 ASN 29 1HB ASN 29 -3.684 8.760 -5.351 224 HB3 ASN 29 2HB ASN 29 -3.222 9.737 -6.739 225 HD21 ASN 29 2HD2 ASN 29 -4.333 11.481 -5.857 226 HD22 ASN 29 1HD2 ASN 29 -6.062 11.597 -5.927 227 H GLN 30 H GLN 30 -5.766 6.604 -8.582 228 HA GLN 30 HA GLN 30 -5.273 8.163 -11.027 229 HB2 GLN 30 1HB GLN 30 -6.671 5.496 -10.733 230 HB3 GLN 30 2HB GLN 30 -6.208 6.279 -12.239 231 HG2 GLN 30 1HG GLN 30 -3.838 6.090 -11.564 232 HG3 GLN 30 2HG GLN 30 -4.350 5.206 -10.128 233 HE21 GLN 30 2HE2 GLN 30 -2.612 4.339 -12.279 234 HE22 GLN 30 1HE2 GLN 30 -3.358 2.929 -12.966 235 H GLY 31 H GLY 31 -6.673 9.628 -9.400 236 HA2 GLY 31 1HA GLY 31 -9.365 9.590 -10.550 237 HA3 GLY 31 2HA GLY 31 -9.214 9.624 -8.796 238 H ASN 32 H ASN 32 -10.554 11.673 -9.877 239 HA ASN 32 HA ASN 32 -8.689 13.812 -10.556 240 HB2 ASN 32 1HB ASN 32 -10.766 13.430 -11.902 241 HB3 ASN 32 2HB ASN 32 -11.714 13.885 -10.491 242 HD21 ASN 32 2HD2 ASN 32 -8.683 15.390 -11.425 243 HD22 ASN 32 1HD2 ASN 32 -9.358 16.928 -11.834 244 H LYS 33 H LYS 33 -8.399 13.011 -7.947 245 HA LYS 33 HA LYS 33 -8.805 15.516 -6.622 246 HB2 LYS 33 1HB LYS 33 -10.975 14.548 -6.138 247 HB3 LYS 33 2HB LYS 33 -10.228 13.054 -5.589 248 HG2 LYS 33 1HG LYS 33 -11.003 14.438 -3.730 249 HG3 LYS 33 2HG LYS 33 -9.256 14.202 -3.692 250 HD2 LYS 33 1HD LYS 33 -9.019 16.421 -4.824 251 HD3 LYS 33 2HD LYS 33 -10.755 16.651 -4.605 252 HE2 LYS 33 1HE LYS 33 -10.551 16.625 -2.243 253 HE3 LYS 33 2HE LYS 33 -8.886 16.051 -2.328 254 HZ1 LYS 33 3HZ LYS 33 -9.027 18.416 -1.804 255 HZ2 LYS 33 1HZ LYS 33 -9.821 18.709 -3.274 256 HZ3 LYS 33 2HZ LYS 33 -8.223 18.156 -3.273 257 H ASP 34 H ASP 34 -7.199 15.871 -5.193 258 HA ASP 34 HA ASP 34 -5.207 13.793 -4.855 259 HB2 ASP 34 1HB ASP 34 -5.196 16.580 -3.675 260 HB3 ASP 34 2HB ASP 34 -3.816 15.510 -3.895 261 H SER 35 H SER 35 -5.054 12.506 -3.125 262 HA SER 35 HA SER 35 -7.060 12.801 -1.056 263 HB2 SER 35 1HB SER 35 -6.091 10.542 -0.323 264 HB3 SER 35 2HB SER 35 -6.906 10.602 -1.885 265 HG SER 35 HG SER 35 -4.218 11.172 -1.996 266 H THR 36 H THR 36 -6.691 13.018 1.113 267 HA THR 36 HA THR 36 -4.261 14.379 1.846 268 HB THR 36 HB THR 36 -5.480 14.504 4.105 269 HG1 THR 36 HG1 THR 36 -7.208 13.282 4.224 270 HG21 THR 36 3HG2 THR 36 -6.994 16.260 3.310 271 HG22 THR 36 1HG2 THR 36 -6.792 15.684 1.656 272 HG23 THR 36 2HG2 THR 36 -5.418 16.366 2.527 273 H SER 37 H SER 37 -4.044 13.614 4.560 274 HA SER 37 HA SER 37 -2.240 11.487 4.340 275 HB2 SER 37 1HB SER 37 -3.561 12.510 6.862 276 HB3 SER 37 2HB SER 37 -2.039 11.626 6.751 277 HG SER 37 HG SER 37 -1.798 13.675 5.129 278 H PHE 38 H PHE 38 -2.676 9.447 3.999 279 HA PHE 38 HA PHE 38 -4.914 8.199 5.443 280 HB2 PHE 38 1HB PHE 38 -5.384 6.777 3.526 281 HB3 PHE 38 2HB PHE 38 -5.471 8.462 3.028 282 HD1 PHE 38 HD2 PHE 38 -3.401 9.450 1.873 283 HD2 PHE 38 HD1 PHE 38 -4.041 5.271 2.376 284 HE1 PHE 38 HE2 PHE 38 -1.791 8.984 0.071 285 HE2 PHE 38 HE1 PHE 38 -2.446 4.813 0.572 286 HZ PHE 38 HZ PHE 38 -1.307 6.647 -0.565 287 H ASN 39 H ASN 39 -4.563 5.935 5.949 288 HA ASN 39 HA ASN 39 -1.699 5.417 6.324 289 HB2 ASN 39 1HB ASN 39 -4.126 4.360 7.771 290 HB3 ASN 39 2HB ASN 39 -2.509 3.701 8.006 291 HD21 ASN 39 2HD2 ASN 39 -4.647 6.333 8.648 292 HD22 ASN 39 1HD2 ASN 39 -3.611 7.176 9.751 293 H VAL 40 H VAL 40 -0.708 3.883 5.233 294 HA VAL 40 HA VAL 40 -2.357 1.877 3.864 295 HB VAL 40 HB VAL 40 0.127 3.319 3.024 296 HG11 VAL 40 1HG1 VAL 40 0.718 1.574 1.434 297 HG12 VAL 40 2HG1 VAL 40 -0.527 0.519 2.100 298 HG13 VAL 40 3HG1 VAL 40 0.867 0.969 3.083 299 HG21 VAL 40 3HG2 VAL 40 -0.989 3.283 0.892 300 HG22 VAL 40 1HG2 VAL 40 -2.109 3.826 2.143 301 HG23 VAL 40 2HG2 VAL 40 -2.215 2.180 1.516 302 H SER 41 H SER 41 -2.386 0.018 4.852 303 HA SER 41 HA SER 41 -0.118 -0.715 6.576 304 HB2 SER 41 1HB SER 41 -1.847 -2.140 7.755 305 HB3 SER 41 2HB SER 41 -2.103 -0.400 7.874 306 HG SER 41 HG SER 41 -3.313 -1.878 5.807 307 H LEU 42 H LEU 42 0.821 -2.690 6.418 308 HA LEU 42 HA LEU 42 -0.018 -4.354 4.152 309 HB2 LEU 42 1HB LEU 42 2.326 -3.580 4.186 310 HB3 LEU 42 2HB LEU 42 2.563 -4.391 5.723 311 HG LEU 42 HG LEU 42 2.075 -6.561 4.609 312 HD11 LEU 42 1HD1 LEU 42 2.134 -4.902 2.091 313 HD12 LEU 42 2HD1 LEU 42 0.723 -5.717 2.765 314 HD13 LEU 42 3HD1 LEU 42 2.086 -6.664 2.169 315 HD21 LEU 42 3HD2 LEU 42 4.327 -4.964 3.398 316 HD22 LEU 42 1HD2 LEU 42 4.210 -6.724 3.444 317 HD23 LEU 42 2HD2 LEU 42 4.372 -5.811 4.945 318 H LEU 43 H LEU 43 -1.287 -5.992 4.637 319 HA LEU 43 HA LEU 43 -1.101 -7.205 7.302 320 HB2 LEU 43 1HB LEU 43 -3.249 -7.555 5.203 321 HB3 LEU 43 2HB LEU 43 -3.282 -8.199 6.831 322 HG LEU 43 HG LEU 43 -3.079 -5.645 7.489 323 HD11 LEU 43 1HD1 LEU 43 -4.330 -4.215 5.964 324 HD12 LEU 43 2HD1 LEU 43 -4.397 -5.527 4.788 325 HD13 LEU 43 3HD1 LEU 43 -2.844 -4.814 5.226 326 HD21 LEU 43 3HD2 LEU 43 -5.626 -6.954 6.554 327 HD22 LEU 43 1HD2 LEU 43 -5.523 -5.557 7.628 328 HD23 LEU 43 2HD2 LEU 43 -4.888 -7.119 8.147 329 H VAL 44 H VAL 44 -0.225 -9.130 7.562 330 HA VAL 44 HA VAL 44 0.390 -10.736 5.174 331 HB VAL 44 HB VAL 44 1.651 -10.811 7.927 332 HG11 VAL 44 1HG1 VAL 44 1.634 -13.021 6.902 333 HG12 VAL 44 2HG1 VAL 44 3.270 -12.364 6.935 334 HG13 VAL 44 3HG1 VAL 44 2.347 -12.359 5.432 335 HG21 VAL 44 3HG2 VAL 44 2.743 -9.843 5.286 336 HG22 VAL 44 1HG2 VAL 44 3.634 -9.920 6.807 337 HG23 VAL 44 2HG2 VAL 44 2.262 -8.825 6.644 338 H ASP 45 H ASP 45 -1.255 -12.076 4.859 339 HA ASP 45 HA ASP 45 -2.743 -13.761 5.142 340 HB2 ASP 45 1HB ASP 45 -0.749 -14.502 7.287 341 HB3 ASP 45 2HB ASP 45 -2.099 -15.534 6.823 342 H GLY 46 H GLY 46 -3.162 -11.251 6.611 343 HA2 GLY 46 1HA GLY 46 -5.317 -10.829 7.617 344 HA3 GLY 46 2HA GLY 46 -5.129 -12.325 8.521 345 H ILE 47 H ILE 47 -2.196 -11.392 8.937 346 HA ILE 47 HA ILE 47 -2.830 -9.932 11.401 347 HB ILE 47 HB ILE 47 -0.088 -10.898 10.685 348 HG12 ILE 47 1HG1 ILE 47 -1.561 -12.830 10.306 349 HG13 ILE 47 2HG1 ILE 47 -0.569 -13.070 11.740 350 HG21 ILE 47 1HG2 ILE 47 -1.532 -10.581 13.304 351 HG22 ILE 47 2HG2 ILE 47 -0.308 -9.498 12.642 352 HG23 ILE 47 3HG2 ILE 47 0.130 -11.140 13.114 353 HD11 ILE 47 3HD1 ILE 47 -2.833 -13.837 12.113 354 HD12 ILE 47 1HD1 ILE 47 -3.463 -12.242 11.702 355 HD13 ILE 47 2HD1 ILE 47 -2.475 -12.453 13.147 356 H VAL 48 H VAL 48 -1.760 -7.994 11.947 357 HA VAL 48 HA VAL 48 -0.857 -6.481 9.599 358 HB VAL 48 HB VAL 48 -1.710 -5.470 12.319 359 HG11 VAL 48 1HG1 VAL 48 -1.003 -3.950 9.813 360 HG12 VAL 48 2HG1 VAL 48 -0.066 -3.990 11.307 361 HG13 VAL 48 3HG1 VAL 48 -1.665 -3.245 11.287 362 HG21 VAL 48 3HG2 VAL 48 -3.681 -4.619 11.138 363 HG22 VAL 48 1HG2 VAL 48 -3.571 -6.377 11.046 364 HG23 VAL 48 2HG2 VAL 48 -3.116 -5.390 9.655 365 H VAL 49 H VAL 49 1.250 -6.390 9.292 366 HA VAL 49 HA VAL 49 3.019 -6.755 11.587 367 HB VAL 49 HB VAL 49 4.812 -7.133 9.936 368 HG11 VAL 49 1HG1 VAL 49 3.535 -9.016 10.791 369 HG12 VAL 49 2HG1 VAL 49 3.990 -9.289 9.108 370 HG13 VAL 49 3HG1 VAL 49 2.341 -8.808 9.510 371 HG21 VAL 49 3HG2 VAL 49 4.253 -7.401 7.560 372 HG22 VAL 49 1HG2 VAL 49 3.988 -5.747 8.110 373 HG23 VAL 49 2HG2 VAL 49 2.615 -6.832 7.887 374 H ASP 50 H ASP 50 2.309 -4.438 9.019 375 HA ASP 50 HA ASP 50 3.722 -2.380 10.486 376 HB2 ASP 50 1HB ASP 50 5.501 -3.441 9.122 377 HB3 ASP 50 2HB ASP 50 4.574 -3.084 7.668 378 H THR 51 H THR 51 3.051 -0.337 9.999 379 HA THR 51 HA THR 51 1.081 0.001 7.849 380 HB THR 51 HB THR 51 0.667 0.968 10.689 381 HG1 THR 51 HG1 THR 51 0.277 -1.233 10.623 382 HG21 THR 51 3HG2 THR 51 -1.581 1.581 9.889 383 HG22 THR 51 1HG2 THR 51 -1.121 1.098 8.256 384 HG23 THR 51 2HG2 THR 51 -0.317 2.461 9.032 385 H GLN 52 H GLN 52 1.657 1.689 6.636 386 HA GLN 52 HA GLN 52 3.441 3.698 7.832 387 HB2 GLN 52 1HB GLN 52 4.384 2.444 5.931 388 HB3 GLN 52 2HB GLN 52 3.041 2.967 4.922 389 HG2 GLN 52 1HG GLN 52 3.762 5.318 5.310 390 HG3 GLN 52 2HG GLN 52 5.173 4.679 6.150 391 HE21 GLN 52 2HE2 GLN 52 4.723 6.248 3.599 392 HE22 GLN 52 1HE2 GLN 52 5.650 5.382 2.421 393 H THR 53 H THR 53 2.906 5.833 7.793 394 HA THR 53 HA THR 53 0.175 6.470 6.940 395 HB THR 53 HB THR 53 2.048 8.193 8.577 396 HG1 THR 53 HG1 THR 53 0.008 6.407 9.502 397 HG21 THR 53 3HG2 THR 53 0.174 9.383 7.551 398 HG22 THR 53 1HG2 THR 53 -0.031 9.282 9.300 399 HG23 THR 53 2HG2 THR 53 -0.955 8.217 8.241 400 H VAL 54 H VAL 54 -0.043 7.344 4.972 401 HA VAL 54 HA VAL 54 2.237 8.692 3.746 402 HB VAL 54 HB VAL 54 -0.459 8.111 2.506 403 HG11 VAL 54 1HG1 VAL 54 0.749 8.365 0.386 404 HG12 VAL 54 2HG1 VAL 54 2.217 8.766 1.277 405 HG13 VAL 54 3HG1 VAL 54 0.817 9.834 1.359 406 HG21 VAL 54 3HG2 VAL 54 0.583 6.152 1.471 407 HG22 VAL 54 1HG2 VAL 54 0.572 6.020 3.230 408 HG23 VAL 54 2HG2 VAL 54 2.060 6.452 2.387 409 H THR 55 H THR 55 2.437 10.820 3.851 410 HA THR 55 HA THR 55 0.708 12.513 5.195 411 HB THR 55 HB THR 55 2.679 13.348 3.060 412 HG1 THR 55 HG1 THR 55 3.936 13.610 5.220 413 HG21 THR 55 3HG2 THR 55 2.859 15.401 4.383 414 HG22 THR 55 1HG2 THR 55 1.642 14.790 5.504 415 HG23 THR 55 2HG2 THR 55 1.203 15.144 3.834 416 H SER 56 H SER 56 1.007 11.951 1.703 417 HA SER 56 HA SER 56 -1.695 12.557 1.192 418 HB2 SER 56 1HB SER 56 -0.971 14.873 1.604 419 HB3 SER 56 2HB SER 56 0.297 14.700 0.390 420 HG SER 56 HG SER 56 -2.488 14.896 0.066 421 H LEU 57 H LEU 57 -2.259 12.129 -0.954 422 HA LEU 57 HA LEU 57 -0.088 11.384 -2.775 423 HB2 LEU 57 1HB LEU 57 -0.899 9.302 -1.801 424 HB3 LEU 57 2HB LEU 57 -2.549 9.723 -2.216 425 HG LEU 57 HG LEU 57 -2.087 9.479 -4.572 426 HD11 LEU 57 1HD1 LEU 57 0.107 8.776 -5.392 427 HD12 LEU 57 2HD1 LEU 57 0.762 8.918 -3.759 428 HD13 LEU 57 3HD1 LEU 57 0.187 10.353 -4.607 429 HD21 LEU 57 3HD2 LEU 57 -1.553 7.104 -4.663 430 HD22 LEU 57 1HD2 LEU 57 -2.634 7.455 -3.316 431 HD23 LEU 57 2HD2 LEU 57 -0.921 7.174 -3.018 432 H GLU 58 H GLU 58 -0.261 12.650 -4.452 433 HA GLU 58 HA GLU 58 -2.729 14.045 -4.972 434 HB2 GLU 58 1HB GLU 58 -0.067 14.236 -6.387 435 HB3 GLU 58 2HB GLU 58 -1.416 15.353 -6.559 436 HG2 GLU 58 1HG GLU 58 -1.216 15.906 -4.163 437 HG3 GLU 58 2HG GLU 58 0.200 14.860 -4.068 438 H SER 59 H SER 59 -3.538 14.307 -7.156 439 HA SER 59 HA SER 59 -4.204 11.816 -8.307 440 HB2 SER 59 1HB SER 59 -5.194 13.356 -10.132 441 HB3 SER 59 2HB SER 59 -5.833 13.499 -8.496 442 HG SER 59 HG SER 59 -4.337 15.283 -8.208 443 H GLU 60 H GLU 60 -3.501 10.770 -10.089 444 HA GLU 60 HA GLU 60 -2.186 10.119 -11.810 445 HB2 GLU 60 1HB GLU 60 -1.536 13.061 -12.035 446 HB3 GLU 60 2HB GLU 60 -1.017 11.840 -13.186 447 HG2 GLU 60 1HG GLU 60 -3.860 12.594 -12.551 448 HG3 GLU 60 2HG GLU 60 -2.961 13.022 -14.006 449 H ASN 61 H ASN 61 -1.139 11.038 -8.939 450 HA ASN 61 HA ASN 61 1.716 10.712 -9.545 451 HB2 ASN 61 1HB ASN 61 0.250 11.846 -7.178 452 HB3 ASN 61 2HB ASN 61 1.913 11.295 -7.021 453 HD21 ASN 61 2HD2 ASN 61 0.609 12.819 -9.912 454 HD22 ASN 61 1HD2 ASN 61 1.546 14.270 -9.779 455 H SER 62 H SER 62 2.930 9.123 -8.555 456 HA SER 62 HA SER 62 1.404 7.041 -7.151 457 HB2 SER 62 1HB SER 62 3.266 5.510 -8.164 458 HB3 SER 62 2HB SER 62 1.909 6.005 -9.176 459 HG SER 62 HG SER 62 3.185 7.470 -10.195 460 H THR 63 H THR 63 2.049 6.680 -5.157 461 HA THR 63 HA THR 63 4.681 7.685 -4.322 462 HB THR 63 HB THR 63 2.159 7.148 -2.746 463 HG1 THR 63 HG1 THR 63 3.382 9.369 -3.829 464 HG21 THR 63 3HG2 THR 63 3.375 7.951 -0.767 465 HG22 THR 63 1HG2 THR 63 4.867 7.995 -1.707 466 HG23 THR 63 2HG2 THR 63 4.067 6.454 -1.393 467 H ASN 64 H ASN 64 6.220 6.287 -3.835 468 HA ASN 64 HA ASN 64 5.633 3.460 -3.721 469 HB2 ASN 64 1HB ASN 64 8.193 5.054 -3.645 470 HB3 ASN 64 2HB ASN 64 8.169 3.316 -3.368 471 HD21 ASN 64 2HD2 ASN 64 9.443 4.815 -5.510 472 HD22 ASN 64 1HD2 ASN 64 8.763 4.217 -6.990 473 H VAL 65 H VAL 65 5.112 2.458 -1.942 474 HA VAL 65 HA VAL 65 5.503 3.775 0.641 475 HB VAL 65 HB VAL 65 3.845 1.347 -0.069 476 HG11 VAL 65 1HG1 VAL 65 2.699 1.775 2.048 477 HG12 VAL 65 2HG1 VAL 65 3.822 3.092 2.387 478 HG13 VAL 65 3HG1 VAL 65 4.412 1.433 2.290 479 HG21 VAL 65 3HG2 VAL 65 3.052 3.267 -1.280 480 HG22 VAL 65 1HG2 VAL 65 3.047 4.238 0.195 481 HG23 VAL 65 2HG2 VAL 65 1.928 2.884 0.025 482 H ASP 66 H ASP 66 7.204 3.190 1.829 483 HA ASP 66 HA ASP 66 8.450 0.584 1.356 484 HB2 ASP 66 1HB ASP 66 9.465 2.965 2.924 485 HB3 ASP 66 2HB ASP 66 10.353 1.472 2.653 486 H PHE 67 H PHE 67 7.610 -0.974 2.569 487 HA PHE 67 HA PHE 67 6.662 -0.371 5.264 488 HB2 PHE 67 1HB PHE 67 6.612 -2.949 3.664 489 HB3 PHE 67 2HB PHE 67 5.927 -2.754 5.270 490 HD1 PHE 67 HD2 PHE 67 4.226 -0.684 5.427 491 HD2 PHE 67 HD1 PHE 67 5.191 -2.865 1.903 492 HE1 PHE 67 HE2 PHE 67 2.076 -0.027 4.432 493 HE2 PHE 67 HE1 PHE 67 3.044 -2.210 0.902 494 HZ PHE 67 HZ PHE 67 1.483 -0.790 2.168 495 H HIS 68 H HIS 68 7.377 -1.556 7.080 496 HA HIS 68 HA HIS 68 10.089 -2.698 6.796 497 HB2 HIS 68 1HB HIS 68 8.871 -1.345 9.223 498 HB3 HIS 68 2HB HIS 68 10.489 -2.030 9.138 499 HD1 HIS 68 HD1 HIS 68 12.317 -0.507 8.358 500 HD2 HIS 68 HD2 HIS 68 8.526 0.973 7.477 501 HE1 HIS 68 HE1 HIS 68 12.682 1.806 7.434 502 HE2 HIS 68 HE2 HIS 68 10.391 2.605 6.745 503 H TRP 69 H TRP 69 9.432 -4.801 6.440 504 HA TRP 69 HA TRP 69 7.476 -5.934 8.295 505 HB2 TRP 69 1HB TRP 69 6.879 -6.228 5.984 506 HB3 TRP 69 2HB TRP 69 8.465 -6.882 5.599 507 HD1 TRP 69 HD1 TRP 69 6.677 -8.159 8.713 508 HE1 TRP 69 HE1 TRP 69 6.008 -10.614 8.347 509 HE3 TRP 69 HE3 TRP 69 7.743 -8.563 3.719 510 HZ2 TRP 69 HZ2 TRP 69 5.939 -12.474 6.229 511 HZ3 TRP 69 HZ3 TRP 69 7.337 -10.713 2.609 512 HH2 TRP 69 HH2 TRP 69 6.446 -12.621 3.830 513 H THR 70 H THR 70 8.338 -6.768 10.037 514 HA THR 70 HA THR 70 10.797 -8.315 9.958 515 HB THR 70 HB THR 70 8.852 -8.092 12.263 516 HG1 THR 70 HG1 THR 70 9.399 -5.986 11.647 517 HG21 THR 70 3HG2 THR 70 10.606 -9.785 12.482 518 HG22 THR 70 1HG2 THR 70 10.867 -8.460 13.616 519 HG23 THR 70 2HG2 THR 70 11.834 -8.565 12.145 520 H LEU 71 H LEU 71 10.791 -10.447 9.484 521 HA LEU 71 HA LEU 71 8.539 -11.560 8.323 522 HB2 LEU 71 1HB LEU 71 11.224 -12.196 8.476 523 HB3 LEU 71 2HB LEU 71 10.426 -13.578 9.205 524 HG LEU 71 HG LEU 71 10.683 -14.072 6.900 525 HD11 LEU 71 1HD1 LEU 71 7.861 -13.163 7.382 526 HD12 LEU 71 2HD1 LEU 71 8.547 -14.724 7.833 527 HD13 LEU 71 3HD1 LEU 71 8.383 -14.290 6.130 528 HD21 LEU 71 3HD2 LEU 71 11.092 -11.793 6.103 529 HD22 LEU 71 1HD2 LEU 71 9.378 -11.423 6.299 530 HD23 LEU 71 2HD2 LEU 71 9.891 -12.623 5.112 531 H ASP 72 H ASP 72 9.929 -12.258 11.504 532 HA ASP 72 HA ASP 72 8.949 -12.969 13.439 533 HB2 ASP 72 1HB ASP 72 7.093 -11.484 12.946 534 HB3 ASP 72 2HB ASP 72 6.394 -12.659 11.843 535 H GLY 73 H GLY 73 9.279 -14.672 10.740 536 HA2 GLY 73 1HA GLY 73 9.278 -17.182 11.982 537 HA3 GLY 73 2HA GLY 73 7.771 -17.015 11.092 538 H THR 74 H THR 74 8.528 -18.804 9.802 539 HA THR 74 HA THR 74 9.881 -17.864 7.440 540 HB THR 74 HB THR 74 11.053 -20.216 8.954 541 HG1 THR 74 HG1 THR 74 11.562 -17.637 9.164 542 HG21 THR 74 3HG2 THR 74 11.844 -19.000 6.301 543 HG22 THR 74 1HG2 THR 74 11.073 -20.568 6.529 544 HG23 THR 74 2HG2 THR 74 12.704 -20.291 7.139 545 H ALA 75 H ALA 75 8.016 -18.251 6.362 546 HA ALA 75 HA ALA 75 7.182 -21.070 6.105 547 HB1 ALA 75 3HB ALA 75 5.037 -20.204 5.280 548 HB2 ALA 75 1HB ALA 75 5.618 -18.553 5.506 549 HB3 ALA 75 2HB ALA 75 5.391 -19.608 6.901 550 H ASN 76 H ASN 76 6.258 -21.443 3.746 551 HA ASN 76 HA ASN 76 8.463 -20.794 2.004 552 HB2 ASN 76 1HB ASN 76 7.580 -22.358 0.471 553 HB3 ASN 76 2HB ASN 76 7.243 -23.034 2.059 554 HD21 ASN 76 2HD2 ASN 76 5.928 -21.787 -0.861 555 HD22 ASN 76 1HD2 ASN 76 4.260 -22.105 -0.496 556 H SER 77 H SER 77 5.205 -19.702 2.489 557 HA SER 77 HA SER 77 5.633 -17.524 0.623 558 HB2 SER 77 1HB SER 77 3.479 -17.937 -0.547 559 HB3 SER 77 2HB SER 77 4.657 -19.215 -0.834 560 HG SER 77 HG SER 77 3.125 -19.722 1.358 561 H TYR 78 H TYR 78 4.011 -15.823 0.863 562 HA TYR 78 HA TYR 78 2.417 -15.999 3.331 563 HB2 TYR 78 1HB TYR 78 4.112 -13.590 2.654 564 HB3 TYR 78 2HB TYR 78 3.216 -13.889 4.138 565 HD1 TYR 78 HD1 TYR 78 4.051 -15.521 5.782 566 HD2 TYR 78 HD2 TYR 78 6.269 -14.548 2.288 567 HE1 TYR 78 HE1 TYR 78 6.058 -16.535 6.777 568 HE2 TYR 78 HE2 TYR 78 8.277 -15.557 3.271 569 HH TYR 78 HH TYR 78 9.167 -16.087 5.496 570 H THR 79 H THR 79 0.646 -14.526 3.419 571 HA THR 79 HA THR 79 -0.192 -13.635 0.740 572 HB THR 79 HB THR 79 -1.998 -13.879 3.146 573 HG1 THR 79 HG1 THR 79 -1.428 -15.949 2.995 574 HG21 THR 79 3HG2 THR 79 -2.859 -12.637 1.215 575 HG22 THR 79 1HG2 THR 79 -3.732 -14.153 1.439 576 HG23 THR 79 2HG2 THR 79 -2.512 -14.017 0.172 577 H LEU 80 H LEU 80 0.837 -11.622 0.671 578 HA LEU 80 HA LEU 80 0.412 -9.800 2.907 579 HB2 LEU 80 1HB LEU 80 2.317 -9.944 0.643 580 HB3 LEU 80 2HB LEU 80 1.893 -8.343 1.218 581 HG LEU 80 HG LEU 80 2.653 -8.929 3.469 582 HD11 LEU 80 1HD1 LEU 80 2.183 -11.311 3.451 583 HD12 LEU 80 2HD1 LEU 80 3.874 -11.018 3.855 584 HD13 LEU 80 3HD1 LEU 80 3.435 -11.567 2.239 585 HD21 LEU 80 3HD2 LEU 80 5.042 -9.060 2.974 586 HD22 LEU 80 1HD2 LEU 80 4.213 -7.919 1.914 587 HD23 LEU 80 2HD2 LEU 80 4.666 -9.513 1.310 588 H THR 81 H THR 81 -1.113 -8.363 2.924 589 HA THR 81 HA THR 81 -2.293 -7.509 0.360 590 HB THR 81 HB THR 81 -3.718 -7.835 3.017 591 HG1 THR 81 HG1 THR 81 -3.283 -9.841 2.005 592 HG21 THR 81 3HG2 THR 81 -4.782 -7.088 0.285 593 HG22 THR 81 1HG2 THR 81 -4.645 -6.009 1.675 594 HG23 THR 81 2HG2 THR 81 -5.757 -7.377 1.725 595 H VAL 82 H VAL 82 -1.893 -5.456 -0.044 596 HA VAL 82 HA VAL 82 -1.281 -3.585 2.091 597 HB VAL 82 HB VAL 82 -1.516 -3.125 -0.895 598 HG11 VAL 82 1HG1 VAL 82 -0.360 -1.008 -0.464 599 HG12 VAL 82 2HG1 VAL 82 -0.415 -1.332 1.270 600 HG13 VAL 82 3HG1 VAL 82 -1.911 -1.080 0.372 601 HG21 VAL 82 3HG2 VAL 82 0.916 -3.479 0.854 602 HG22 VAL 82 1HG2 VAL 82 0.936 -3.055 -0.858 603 HG23 VAL 82 2HG2 VAL 82 0.317 -4.626 -0.346 604 H ASN 83 H ASN 83 -2.991 -2.908 3.247 605 HA ASN 83 HA ASN 83 -5.507 -2.345 1.851 606 HB2 ASN 83 1HB ASN 83 -5.573 -3.637 3.984 607 HB3 ASN 83 2HB ASN 83 -4.925 -2.230 4.820 608 HD21 ASN 83 2HD2 ASN 83 -6.233 -0.426 5.130 609 HD22 ASN 83 1HD2 ASN 83 -7.947 -0.477 4.905 610 H VAL 84 H VAL 84 -5.748 -0.412 1.026 611 HA VAL 84 HA VAL 84 -4.226 1.843 2.019 612 HB VAL 84 HB VAL 84 -6.154 1.596 -0.297 613 HG11 VAL 84 1HG1 VAL 84 -5.278 3.770 -1.036 614 HG12 VAL 84 2HG1 VAL 84 -4.382 3.906 0.479 615 HG13 VAL 84 3HG1 VAL 84 -6.146 3.888 0.498 616 HG21 VAL 84 3HG2 VAL 84 -3.146 1.788 -0.224 617 HG22 VAL 84 1HG2 VAL 84 -4.144 1.691 -1.676 618 HG23 VAL 84 2HG2 VAL 84 -4.078 0.327 -0.558 619 H ASP 85 H ASP 85 -4.918 2.841 3.717 620 HA ASP 85 HA ASP 85 -6.129 4.026 5.180 621 HB2 ASP 85 1HB ASP 85 -6.767 5.350 3.177 622 HB3 ASP 85 2HB ASP 85 -8.195 4.333 3.001 623 HA PRO 86 HA PRO 86 -8.901 0.741 6.570 624 HB2 PRO 86 1HB PRO 86 -7.668 0.863 9.125 625 HB3 PRO 86 2HB PRO 86 -7.440 -0.374 7.889 626 HG2 PRO 86 1HG PRO 86 -5.506 1.436 8.758 627 HG3 PRO 86 2HG PRO 86 -5.433 0.479 7.270 628 HD2 PRO 86 1HD PRO 86 -6.214 3.332 7.656 629 HD3 PRO 86 2HD PRO 86 -5.359 2.566 6.299 630 H GLU 87 H GLU 87 -8.536 3.979 7.139 631 HA GLU 87 HA GLU 87 -10.433 4.073 9.378 632 HB2 GLU 87 1HB GLU 87 -8.377 5.460 9.510 633 HB3 GLU 87 2HB GLU 87 -8.881 6.312 8.060 634 HG2 GLU 87 1HG GLU 87 -10.893 7.091 9.247 635 HG3 GLU 87 2HG GLU 87 -10.310 6.293 10.705 636 H ASN 88 H ASN 88 -10.194 4.436 5.992 637 HA ASN 88 HA ASN 88 -11.675 4.924 4.347 638 HB2 ASN 88 1HB ASN 88 -13.648 4.629 6.615 639 HB3 ASN 88 2HB ASN 88 -14.147 4.977 4.964 640 HD21 ASN 88 2HD2 ASN 88 -13.997 3.383 3.410 641 HD22 ASN 88 1HD2 ASN 88 -13.687 1.729 3.801 642 H ALA 89 H ALA 89 -10.291 6.958 5.761 643 HA ALA 89 HA ALA 89 -12.000 9.233 6.107 644 HB1 ALA 89 3HB ALA 89 -9.007 9.060 5.723 645 HB2 ALA 89 1HB ALA 89 -9.855 9.078 7.270 646 HB3 ALA 89 2HB ALA 89 -9.897 10.498 6.227 647 H VAL 90 H VAL 90 -10.013 7.861 3.573 648 HA VAL 90 HA VAL 90 -10.787 9.994 1.722 649 HB VAL 90 HB VAL 90 -8.926 7.654 1.260 650 HG11 VAL 90 1HG1 VAL 90 -9.365 10.183 -0.321 651 HG12 VAL 90 2HG1 VAL 90 -9.860 8.557 -0.791 652 HG13 VAL 90 3HG1 VAL 90 -8.146 8.955 -0.664 653 HG21 VAL 90 3HG2 VAL 90 -8.279 10.506 2.009 654 HG22 VAL 90 1HG2 VAL 90 -7.099 9.281 1.539 655 HG23 VAL 90 2HG2 VAL 90 -8.042 9.078 3.017 656 H ASN 91 H ASN 91 -12.600 9.723 0.598 657 HA ASN 91 HA ASN 91 -13.701 7.066 0.158 658 HB2 ASN 91 1HB ASN 91 -15.195 8.969 0.711 659 HB3 ASN 91 2HB ASN 91 -14.709 9.764 -0.782 660 HD21 ASN 91 2HD2 ASN 91 -16.762 9.786 -1.620 661 HD22 ASN 91 1HD2 ASN 91 -17.569 8.362 -2.165 662 H GLU 92 H GLU 92 -13.743 6.009 -1.809 663 HA GLU 92 HA GLU 92 -11.966 7.198 -3.826 664 HB2 GLU 92 1HB GLU 92 -12.291 4.292 -3.105 665 HB3 GLU 92 2HB GLU 92 -11.229 4.927 -4.351 666 HG2 GLU 92 1HG GLU 92 -10.032 6.205 -2.589 667 HG3 GLU 92 2HG GLU 92 -11.022 5.375 -1.390 668 H GLY 93 H GLY 93 -12.235 6.584 -5.987 669 HA2 GLY 93 1HA GLY 93 -14.801 6.493 -7.072 670 HA3 GLY 93 2HA GLY 93 -13.328 6.032 -7.913 671 H ASN 94 H ASN 94 -12.875 3.920 -8.245 672 HA ASN 94 HA ASN 94 -15.022 2.059 -8.028 673 HB2 ASN 94 1HB ASN 94 -13.424 1.937 -9.875 674 HB3 ASN 94 2HB ASN 94 -12.111 1.625 -8.746 675 HD21 ASN 94 2HD2 ASN 94 -11.628 -0.314 -9.810 676 HD22 ASN 94 1HD2 ASN 94 -12.616 -1.721 -9.619 677 H GLU 95 H GLU 95 -15.595 1.615 -5.947 678 HA GLU 95 HA GLU 95 -13.676 1.229 -3.870 679 HB2 GLU 95 1HB GLU 95 -16.080 2.128 -3.674 680 HB3 GLU 95 2HB GLU 95 -16.581 0.445 -3.716 681 HG2 GLU 95 1HG GLU 95 -14.522 1.285 -1.736 682 HG3 GLU 95 2HG GLU 95 -16.206 1.710 -1.451 683 H SER 96 H SER 96 -12.451 -0.381 -4.957 684 HA SER 96 HA SER 96 -12.758 -2.922 -3.799 685 HB2 SER 96 1HB SER 96 -14.525 -3.111 -5.597 686 HB3 SER 96 2HB SER 96 -13.252 -2.896 -6.797 687 HG SER 96 HG SER 96 -12.466 -4.855 -6.362 688 H ASN 97 H ASN 97 -10.870 -0.738 -4.279 689 HA ASN 97 HA ASN 97 -8.843 -2.033 -5.978 690 HB2 ASN 97 1HB ASN 97 -8.062 0.239 -6.543 691 HB3 ASN 97 2HB ASN 97 -9.745 0.004 -7.007 692 HD21 ASN 97 2HD2 ASN 97 -8.222 2.464 -6.374 693 HD22 ASN 97 1HD2 ASN 97 -9.081 3.229 -5.078 694 H ASN 98 H ASN 98 -9.554 -0.520 -2.944 695 HA ASN 98 HA ASN 98 -6.955 0.384 -2.311 696 HB2 ASN 98 1HB ASN 98 -7.822 0.954 -0.173 697 HB3 ASN 98 2HB ASN 98 -9.115 1.236 -1.331 698 HD21 ASN 98 2HD2 ASN 98 -9.150 0.739 1.554 699 HD22 ASN 98 1HD2 ASN 98 -10.195 -0.624 1.779 700 H THR 99 H THR 99 -7.909 -2.741 -2.569 701 HA THR 99 HA THR 99 -5.996 -3.565 -0.497 702 HB THR 99 HB THR 99 -7.317 -5.842 -0.815 703 HG1 THR 99 HG1 THR 99 -9.355 -3.880 -1.195 704 HG21 THR 99 3HG2 THR 99 -8.282 -3.541 0.890 705 HG22 THR 99 1HG2 THR 99 -6.997 -4.675 1.304 706 HG23 THR 99 2HG2 THR 99 -8.661 -5.244 1.155 707 H LEU 100 H LEU 100 -4.185 -4.259 -1.297 708 HA LEU 100 HA LEU 100 -4.176 -5.653 -3.894 709 HB2 LEU 100 1HB LEU 100 -2.808 -3.660 -3.958 710 HB3 LEU 100 2HB LEU 100 -1.986 -4.126 -2.482 711 HG LEU 100 HG LEU 100 -1.135 -6.156 -3.773 712 HD11 LEU 100 1HD1 LEU 100 -2.674 -6.070 -5.645 713 HD12 LEU 100 2HD1 LEU 100 -1.009 -5.892 -6.206 714 HD13 LEU 100 3HD1 LEU 100 -2.060 -4.480 -6.100 715 HD21 LEU 100 3HD2 LEU 100 0.689 -4.870 -4.772 716 HD22 LEU 100 1HD2 LEU 100 0.272 -4.282 -3.162 717 HD23 LEU 100 2HD2 LEU 100 -0.258 -3.394 -4.592 718 H THR 101 H THR 101 -4.455 -7.747 -3.330 719 HA THR 101 HA THR 101 -2.844 -8.841 -1.153 720 HB THR 101 HB THR 101 -5.024 -10.137 -2.804 721 HG1 THR 101 HG1 THR 101 -5.015 -9.313 -0.064 722 HG21 THR 101 3HG2 THR 101 -3.394 -11.788 -2.008 723 HG22 THR 101 1HG2 THR 101 -4.929 -11.951 -1.155 724 HG23 THR 101 2HG2 THR 101 -3.561 -11.167 -0.367 725 H ALA 102 H ALA 102 -0.827 -8.997 -1.875 726 HA ALA 102 HA ALA 102 -0.343 -10.522 -4.343 727 HB1 ALA 102 3HB ALA 102 1.896 -9.537 -4.335 728 HB2 ALA 102 1HB ALA 102 1.513 -8.669 -2.849 729 HB3 ALA 102 2HB ALA 102 0.652 -8.286 -4.339 730 H LEU 103 H LEU 103 0.112 -12.579 -3.994 731 HA LEU 103 HA LEU 103 0.916 -13.503 -1.393 732 HB2 LEU 103 1HB LEU 103 -0.629 -14.660 -3.129 733 HB3 LEU 103 2HB LEU 103 0.862 -15.176 -3.889 734 HG LEU 103 HG LEU 103 0.277 -15.765 -0.995 735 HD11 LEU 103 1HD1 LEU 103 -0.417 -17.445 -3.394 736 HD12 LEU 103 2HD1 LEU 103 -1.561 -16.656 -2.308 737 HD13 LEU 103 3HD1 LEU 103 -0.527 -17.955 -1.710 738 HD21 LEU 103 3HD2 LEU 103 2.586 -16.043 -1.682 739 HD22 LEU 103 1HD2 LEU 103 2.083 -17.050 -3.041 740 HD23 LEU 103 2HD2 LEU 103 1.841 -17.615 -1.388 741 H VAL 104 H VAL 104 2.925 -13.003 -0.840 742 HA VAL 104 HA VAL 104 5.036 -13.014 -2.845 743 HB VAL 104 HB VAL 104 6.453 -11.963 -1.164 744 HG11 VAL 104 1HG1 VAL 104 5.179 -9.873 -0.813 745 HG12 VAL 104 2HG1 VAL 104 3.732 -10.701 -1.390 746 HG13 VAL 104 3HG1 VAL 104 5.109 -10.472 -2.471 747 HG21 VAL 104 3HG2 VAL 104 5.462 -11.266 1.016 748 HG22 VAL 104 1HG2 VAL 104 5.745 -13.002 0.855 749 HG23 VAL 104 2HG2 VAL 104 4.115 -12.356 0.680 750 H GLY 105 H GLY 105 7.108 -14.042 -2.347 751 HA2 GLY 105 1HA GLY 105 6.702 -16.492 -0.747 752 HA3 GLY 105 2HA GLY 105 7.501 -16.511 -2.315 753 H THR 106 H THR 106 9.120 -17.574 -0.840 754 HA THR 106 HA THR 106 10.814 -15.528 0.413 755 HB THR 106 HB THR 106 11.967 -17.537 1.482 756 HG1 THR 106 HG1 THR 106 9.553 -18.839 0.662 757 HG21 THR 106 3HG2 THR 106 10.242 -17.760 3.221 758 HG22 THR 106 1HG2 THR 106 9.071 -16.993 2.147 759 HG23 THR 106 2HG2 THR 106 10.466 -16.082 2.728 760 H LEU 107 H LEU 107 12.911 -15.286 -0.245 761 HA LEU 107 HA LEU 107 13.519 -15.659 -2.905 762 HB2 LEU 107 1HB LEU 107 14.680 -14.094 -1.383 763 HB3 LEU 107 2HB LEU 107 15.490 -15.452 -0.626 764 HG LEU 107 HG LEU 107 16.611 -15.958 -2.768 765 HD11 LEU 107 1HD1 LEU 107 14.948 -15.046 -4.292 766 HD12 LEU 107 2HD1 LEU 107 16.530 -14.326 -4.585 767 HD13 LEU 107 3HD1 LEU 107 15.295 -13.416 -3.715 768 HD21 LEU 107 3HD2 LEU 107 18.137 -14.044 -2.742 769 HD22 LEU 107 1HD2 LEU 107 17.725 -14.571 -1.110 770 HD23 LEU 107 2HD2 LEU 107 16.969 -13.128 -1.787 771 H GLU 108 H GLU 108 13.687 -17.482 -3.998 772 HA GLU 108 HA GLU 108 13.996 -19.999 -2.832 773 HB2 GLU 108 1HB GLU 108 14.373 -19.152 -5.704 774 HB3 GLU 108 2HB GLU 108 14.284 -20.823 -5.163 775 HG2 GLU 108 1HG GLU 108 12.019 -20.343 -4.257 776 HG3 GLU 108 2HG GLU 108 12.120 -18.740 -4.982 777 H HIS 109 H HIS 109 16.342 -17.842 -4.326 778 HA HIS 109 HA HIS 109 18.469 -19.773 -3.879 779 HB2 HIS 109 1HB HIS 109 18.440 -18.356 -5.949 780 HB3 HIS 109 2HB HIS 109 18.714 -16.946 -4.929 781 HD1 HIS 109 HD1 HIS 109 20.388 -20.143 -6.021 782 HD2 HIS 109 HD2 HIS 109 21.345 -16.528 -4.200 783 HE1 HIS 109 HE1 HIS 109 22.902 -20.101 -5.864 784 HE2 HIS 109 HE2 HIS 109 23.440 -17.997 -4.587 785 H HIS 110 H HIS 110 18.159 -19.819 -1.590 786 HA HIS 110 HA HIS 110 18.748 -17.464 -0.031 787 HB2 HIS 110 1HB HIS 110 17.222 -19.389 0.678 788 HB3 HIS 110 2HB HIS 110 18.685 -20.330 0.931 789 HD1 HIS 110 HD1 HIS 110 20.156 -19.710 2.983 790 HD2 HIS 110 HD2 HIS 110 16.697 -17.436 2.596 791 HE1 HIS 110 HE1 HIS 110 19.862 -18.544 5.190 792 HE2 HIS 110 HE2 HIS 110 17.647 -17.347 4.996 793 H HIS 111 H HIS 111 20.683 -17.017 1.029 794 HA HIS 111 HA HIS 111 23.044 -18.109 -0.161 795 HB2 HIS 111 1HB HIS 111 22.776 -16.285 2.238 796 HB3 HIS 111 2HB HIS 111 24.266 -16.622 1.368 797 HD1 HIS 111 HD1 HIS 111 21.942 -14.059 1.709 798 HD2 HIS 111 HD2 HIS 111 23.712 -15.862 -1.604 799 HE1 HIS 111 HE1 HIS 111 21.730 -12.397 -0.172 800 HE2 HIS 111 HE2 HIS 111 22.637 -13.579 -2.203 801 H HIS 112 H HIS 112 24.910 -18.672 1.506 802 HA HIS 112 HA HIS 112 23.802 -20.755 3.267 803 HB2 HIS 112 1HB HIS 112 26.359 -20.608 1.694 804 HB3 HIS 112 2HB HIS 112 26.220 -21.682 3.084 805 HD1 HIS 112 HD1 HIS 112 25.914 -23.970 2.171 806 HD2 HIS 112 HD2 HIS 112 23.653 -21.147 0.106 807 HE1 HIS 112 HE1 HIS 112 24.528 -25.276 0.520 808 HE2 HIS 112 HE2 HIS 112 23.101 -23.559 -0.657 809 H HIS 113 H HIS 113 24.603 -17.771 3.567 810 HA HIS 113 HA HIS 113 25.616 -18.188 6.283 811 HB2 HIS 113 1HB HIS 113 26.625 -16.086 4.351 812 HB3 HIS 113 2HB HIS 113 26.944 -16.062 6.082 813 HD1 HIS 113 HD1 HIS 113 28.442 -18.078 7.009 814 HD2 HIS 113 HD2 HIS 113 28.304 -17.657 2.874 815 HE1 HIS 113 HE1 HIS 113 30.378 -19.421 6.124 816 HE2 HIS 113 HE2 HIS 113 30.417 -18.929 3.651 817 H HIS 114 H HIS 114 24.563 -15.508 4.171 818 HA HIS 114 HA HIS 114 22.456 -14.924 6.151 819 HB2 HIS 114 1HB HIS 114 23.864 -13.078 4.205 820 HB3 HIS 114 2HB HIS 114 22.435 -12.620 5.125 821 HD1 HIS 114 HD1 HIS 114 22.896 -11.489 7.279 822 HD2 HIS 114 HD2 HIS 114 26.098 -13.837 6.026 823 HE1 HIS 114 HE1 HIS 114 24.722 -11.106 8.963 824 HE2 HIS 114 HE2 HIS 114 26.580 -12.671 8.291 Start of MODEL 10 1 H1 MET 1 1H MET 1 -14.513 12.818 -9.316 2 H2 MET 1 2H MET 1 -15.186 14.220 -9.996 3 H3 MET 1 3H MET 1 -15.669 13.707 -8.451 4 HA MET 1 HA MET 1 -12.923 14.563 -9.151 5 HB2 MET 1 1HB MET 1 -15.054 16.231 -9.009 6 HB3 MET 1 2HB MET 1 -14.623 16.156 -7.308 7 HG2 MET 1 1HG MET 1 -12.783 16.959 -9.550 8 HG3 MET 1 2HG MET 1 -13.598 18.060 -8.442 9 HE1 MET 1 3HE MET 1 -11.222 19.185 -7.919 10 HE2 MET 1 1HE MET 1 -10.442 18.045 -9.016 11 HE3 MET 1 2HE MET 1 -9.814 18.267 -7.384 12 H ILE 2 H ILE 2 -12.696 12.346 -8.080 13 HA ILE 2 HA ILE 2 -12.382 12.707 -5.198 14 HB ILE 2 HB ILE 2 -14.622 11.710 -5.510 15 HG12 ILE 2 1HG1 ILE 2 -12.692 9.667 -4.394 16 HG13 ILE 2 2HG1 ILE 2 -13.206 11.113 -3.533 17 HG21 ILE 2 1HG2 ILE 2 -14.279 10.588 -7.618 18 HG22 ILE 2 2HG2 ILE 2 -14.840 9.431 -6.409 19 HG23 ILE 2 3HG2 ILE 2 -13.137 9.471 -6.872 20 HD11 ILE 2 3HD1 ILE 2 -15.508 10.326 -3.577 21 HD12 ILE 2 1HD1 ILE 2 -14.440 9.152 -2.808 22 HD13 ILE 2 2HD1 ILE 2 -15.003 8.885 -4.458 23 HA PRO 3 HA PRO 3 -8.568 10.465 -5.988 24 HB2 PRO 3 1HB PRO 3 -8.943 9.323 -3.281 25 HB3 PRO 3 2HB PRO 3 -7.581 10.236 -3.941 26 HG2 PRO 3 1HG PRO 3 -9.272 11.340 -2.187 27 HG3 PRO 3 2HG PRO 3 -8.568 12.282 -3.516 28 HD2 PRO 3 1HD PRO 3 -11.311 11.131 -3.249 29 HD3 PRO 3 2HD PRO 3 -10.799 12.675 -3.956 30 H ASP 4 H ASP 4 -8.159 8.541 -6.881 31 HA ASP 4 HA ASP 4 -9.939 6.280 -6.240 32 HB2 ASP 4 1HB ASP 4 -10.074 7.304 -8.599 33 HB3 ASP 4 2HB ASP 4 -8.464 6.644 -8.855 34 H LEU 5 H LEU 5 -8.622 5.488 -4.620 35 HA LEU 5 HA LEU 5 -5.760 5.401 -4.978 36 HB2 LEU 5 1HB LEU 5 -7.472 4.449 -2.682 37 HB3 LEU 5 2HB LEU 5 -5.721 4.546 -2.673 38 HG LEU 5 HG LEU 5 -7.629 6.878 -2.874 39 HD11 LEU 5 1HD1 LEU 5 -7.536 5.899 -0.652 40 HD12 LEU 5 2HD1 LEU 5 -6.737 7.471 -0.678 41 HD13 LEU 5 3HD1 LEU 5 -5.775 5.993 -0.671 42 HD21 LEU 5 3HD2 LEU 5 -4.615 6.834 -2.795 43 HD22 LEU 5 1HD2 LEU 5 -5.628 8.275 -2.714 44 HD23 LEU 5 2HD2 LEU 5 -5.613 7.289 -4.176 45 H VAL 6 H VAL 6 -4.925 3.851 -6.169 46 HA VAL 6 HA VAL 6 -5.974 1.116 -5.843 47 HB VAL 6 HB VAL 6 -4.756 2.217 -8.375 48 HG11 VAL 6 1HG1 VAL 6 -4.585 -0.189 -8.135 49 HG12 VAL 6 2HG1 VAL 6 -5.743 0.220 -9.401 50 HG13 VAL 6 3HG1 VAL 6 -6.316 -0.301 -7.816 51 HG21 VAL 6 3HG2 VAL 6 -6.825 3.421 -7.934 52 HG22 VAL 6 1HG2 VAL 6 -7.681 1.895 -7.712 53 HG23 VAL 6 2HG2 VAL 6 -7.025 2.314 -9.295 54 HA PRO 7 HA PRO 7 -1.593 0.390 -4.693 55 HB2 PRO 7 1HB PRO 7 -2.258 -2.236 -4.043 56 HB3 PRO 7 2HB PRO 7 -2.155 -0.896 -2.900 57 HG2 PRO 7 1HG PRO 7 -4.548 -2.091 -4.209 58 HG3 PRO 7 2HG PRO 7 -4.370 -1.437 -2.571 59 HD2 PRO 7 1HD PRO 7 -5.624 -0.070 -4.516 60 HD3 PRO 7 2HD PRO 7 -4.645 0.748 -3.281 61 H VAL 8 H VAL 8 -0.282 -0.099 -6.308 62 HA VAL 8 HA VAL 8 -1.433 -1.375 -8.669 63 HB VAL 8 HB VAL 8 1.263 -0.043 -8.526 64 HG11 VAL 8 1HG1 VAL 8 0.831 0.418 -10.894 65 HG12 VAL 8 2HG1 VAL 8 -0.706 -0.437 -10.769 66 HG13 VAL 8 3HG1 VAL 8 0.810 -1.311 -10.541 67 HG21 VAL 8 3HG2 VAL 8 0.200 2.048 -9.208 68 HG22 VAL 8 1HG2 VAL 8 -0.348 1.533 -7.613 69 HG23 VAL 8 2HG2 VAL 8 -1.388 1.302 -9.020 70 H SER 9 H SER 9 1.605 -1.522 -6.798 71 HA SER 9 HA SER 9 1.740 -4.371 -7.279 72 HB2 SER 9 1HB SER 9 4.122 -4.146 -8.130 73 HB3 SER 9 2HB SER 9 2.850 -3.664 -9.251 74 HG SER 9 HG SER 9 4.682 -2.070 -7.818 75 H LEU 10 H LEU 10 3.238 -5.468 -5.991 76 HA LEU 10 HA LEU 10 4.366 -3.903 -3.760 77 HB2 LEU 10 1HB LEU 10 2.508 -5.176 -2.928 78 HB3 LEU 10 2HB LEU 10 3.055 -6.620 -3.755 79 HG LEU 10 HG LEU 10 5.044 -6.665 -2.254 80 HD11 LEU 10 1HD1 LEU 10 5.127 -4.317 -1.636 81 HD12 LEU 10 2HD1 LEU 10 4.991 -5.338 -0.203 82 HD13 LEU 10 3HD1 LEU 10 3.579 -4.468 -0.804 83 HD21 LEU 10 3HD2 LEU 10 2.357 -6.719 -0.898 84 HD22 LEU 10 1HD2 LEU 10 3.832 -7.485 -0.307 85 HD23 LEU 10 2HD2 LEU 10 3.092 -8.039 -1.810 86 H THR 11 H THR 11 6.503 -3.859 -4.028 87 HA THR 11 HA THR 11 7.821 -6.305 -5.010 88 HB THR 11 HB THR 11 9.652 -4.694 -5.783 89 HG1 THR 11 HG1 THR 11 7.574 -2.765 -5.830 90 HG21 THR 11 3HG2 THR 11 8.154 -5.841 -7.338 91 HG22 THR 11 1HG2 THR 11 8.496 -4.201 -7.888 92 HG23 THR 11 2HG2 THR 11 6.949 -4.570 -7.125 93 HA PRO 12 HA PRO 12 9.605 -7.087 -5.217 94 HB2 PRO 12 1HB PRO 12 11.344 -8.875 -4.261 95 HB3 PRO 12 2HB PRO 12 11.861 -7.245 -4.707 96 HG2 PRO 12 1HG PRO 12 11.407 -8.417 -2.010 97 HG3 PRO 12 2HG PRO 12 12.595 -7.209 -2.527 98 HD2 PRO 12 1HD PRO 12 10.140 -6.707 -1.242 99 HD3 PRO 12 2HD PRO 12 11.189 -5.508 -2.019 100 H VAL 13 H VAL 13 8.968 -9.280 -5.714 101 HA VAL 13 HA VAL 13 6.892 -10.241 -3.954 102 HB VAL 13 HB VAL 13 6.424 -11.900 -5.714 103 HG11 VAL 13 1HG1 VAL 13 5.734 -10.310 -7.450 104 HG12 VAL 13 2HG1 VAL 13 6.767 -9.080 -6.724 105 HG13 VAL 13 3HG1 VAL 13 5.382 -9.709 -5.831 106 HG21 VAL 13 3HG2 VAL 13 8.774 -10.648 -7.135 107 HG22 VAL 13 1HG2 VAL 13 7.645 -11.802 -7.844 108 HG23 VAL 13 2HG2 VAL 13 8.688 -12.294 -6.510 109 H THR 14 H THR 14 10.063 -10.607 -3.759 110 HA THR 14 HA THR 14 9.798 -13.167 -2.378 111 HB THR 14 HB THR 14 12.399 -12.985 -3.622 112 HG1 THR 14 HG1 THR 14 11.217 -11.947 -5.323 113 HG21 THR 14 3HG2 THR 14 10.183 -15.016 -3.842 114 HG22 THR 14 1HG2 THR 14 11.471 -15.016 -2.637 115 HG23 THR 14 2HG2 THR 14 11.857 -15.265 -4.340 116 H VAL 15 H VAL 15 10.822 -13.132 -0.406 117 HA VAL 15 HA VAL 15 12.386 -10.690 0.169 118 HB VAL 15 HB VAL 15 11.363 -10.741 2.458 119 HG11 VAL 15 1HG1 VAL 15 10.585 -9.180 0.760 120 HG12 VAL 15 2HG1 VAL 15 9.239 -9.735 1.756 121 HG13 VAL 15 3HG1 VAL 15 9.467 -10.395 0.136 122 HG21 VAL 15 3HG2 VAL 15 9.504 -12.744 1.173 123 HG22 VAL 15 1HG2 VAL 15 9.257 -11.980 2.743 124 HG23 VAL 15 2HG2 VAL 15 10.628 -13.061 2.494 125 H VAL 16 H VAL 16 13.936 -10.814 1.871 126 HA VAL 16 HA VAL 16 15.215 -13.408 2.002 127 HB VAL 16 HB VAL 16 16.207 -10.992 3.480 128 HG11 VAL 16 1HG1 VAL 16 18.394 -11.957 2.924 129 HG12 VAL 16 2HG1 VAL 16 17.586 -13.275 2.075 130 HG13 VAL 16 3HG1 VAL 16 17.378 -13.086 3.817 131 HG21 VAL 16 3HG2 VAL 16 17.396 -10.264 1.458 132 HG22 VAL 16 1HG2 VAL 16 15.647 -10.167 1.258 133 HG23 VAL 16 2HG2 VAL 16 16.546 -11.494 0.522 134 HA PRO 17 HA PRO 17 12.904 -14.085 5.785 135 HB2 PRO 17 1HB PRO 17 13.843 -16.806 5.769 136 HB3 PRO 17 2HB PRO 17 12.241 -16.194 5.354 137 HG2 PRO 17 1HG PRO 17 13.967 -17.312 3.547 138 HG3 PRO 17 2HG PRO 17 12.705 -16.141 3.122 139 HD2 PRO 17 1HD PRO 17 15.637 -15.705 3.534 140 HD3 PRO 17 2HD PRO 17 14.550 -15.018 2.307 141 H ASN 18 H ASN 18 15.200 -12.795 6.451 142 HA ASN 18 HA ASN 18 15.802 -14.096 8.945 143 HB2 ASN 18 1HB ASN 18 18.203 -14.277 8.677 144 HB3 ASN 18 2HB ASN 18 17.404 -15.216 7.423 145 HD21 ASN 18 2HD2 ASN 18 20.078 -14.220 7.431 146 HD22 ASN 18 1HD2 ASN 18 20.219 -13.154 6.073 147 H THR 19 H THR 19 14.946 -11.430 7.560 148 HA THR 19 HA THR 19 16.108 -9.721 9.531 149 HB THR 19 HB THR 19 17.948 -9.805 7.857 150 HG1 THR 19 HG1 THR 19 17.644 -7.293 7.415 151 HG21 THR 19 3HG2 THR 19 17.639 -8.701 5.680 152 HG22 THR 19 1HG2 THR 19 15.915 -8.540 6.015 153 HG23 THR 19 2HG2 THR 19 16.633 -10.141 5.834 154 H VAL 20 H VAL 20 15.479 -7.320 8.873 155 HA VAL 20 HA VAL 20 12.632 -7.356 8.322 156 HB VAL 20 HB VAL 20 14.408 -4.971 8.882 157 HG11 VAL 20 1HG1 VAL 20 11.412 -5.309 9.026 158 HG12 VAL 20 2HG1 VAL 20 12.304 -4.378 7.822 159 HG13 VAL 20 3HG1 VAL 20 12.305 -3.865 9.510 160 HG21 VAL 20 3HG2 VAL 20 14.510 -6.551 10.733 161 HG22 VAL 20 1HG2 VAL 20 12.748 -6.599 10.801 162 HG23 VAL 20 2HG2 VAL 20 13.606 -5.107 11.188 163 H ASN 21 H ASN 21 11.844 -7.108 6.353 164 HA ASN 21 HA ASN 21 13.635 -6.117 4.255 165 HB2 ASN 21 1HB ASN 21 11.185 -7.870 4.189 166 HB3 ASN 21 2HB ASN 21 11.839 -7.135 2.730 167 HD21 ASN 21 2HD2 ASN 21 12.511 -9.358 5.351 168 HD22 ASN 21 1HD2 ASN 21 13.748 -10.247 4.535 169 H THR 22 H THR 22 13.415 -4.056 3.801 170 HA THR 22 HA THR 22 10.964 -2.635 4.281 171 HB THR 22 HB THR 22 13.452 -1.682 2.836 172 HG1 THR 22 HG1 THR 22 14.047 -2.229 4.924 173 HG21 THR 22 3HG2 THR 22 11.205 -0.158 4.164 174 HG22 THR 22 1HG2 THR 22 11.489 -0.282 2.428 175 HG23 THR 22 2HG2 THR 22 12.652 0.558 3.455 176 H MET 23 H MET 23 9.436 -3.567 2.983 177 HA MET 23 HA MET 23 9.943 -3.936 0.151 178 HB2 MET 23 1HB MET 23 7.499 -4.514 1.826 179 HB3 MET 23 2HB MET 23 7.662 -4.906 0.120 180 HG2 MET 23 1HG MET 23 9.586 -6.348 0.676 181 HG3 MET 23 2HG MET 23 9.301 -6.015 2.384 182 HE1 MET 23 3HE MET 23 6.285 -8.181 -0.336 183 HE2 MET 23 1HE MET 23 7.885 -7.677 -0.880 184 HE3 MET 23 2HE MET 23 6.672 -6.467 -0.464 185 H THR 24 H THR 24 8.557 -3.085 -1.478 186 HA THR 24 HA THR 24 7.604 -0.389 -0.770 187 HB THR 24 HB THR 24 8.699 -1.262 -3.445 188 HG1 THR 24 HG1 THR 24 10.056 0.096 -1.316 189 HG21 THR 24 3HG2 THR 24 7.287 0.727 -3.483 190 HG22 THR 24 1HG2 THR 24 8.970 1.143 -3.805 191 HG23 THR 24 2HG2 THR 24 8.271 1.460 -2.217 192 H ALA 25 H ALA 25 5.436 -0.374 -0.802 193 HA ALA 25 HA ALA 25 4.041 -1.803 -2.950 194 HB1 ALA 25 3HB ALA 25 2.973 -0.517 -0.441 195 HB2 ALA 25 1HB ALA 25 3.176 -2.245 -0.735 196 HB3 ALA 25 2HB ALA 25 1.991 -1.325 -1.662 197 H THR 26 H THR 26 3.631 -0.685 -4.703 198 HA THR 26 HA THR 26 3.784 2.200 -4.689 199 HB THR 26 HB THR 26 3.164 0.342 -6.997 200 HG1 THR 26 HG1 THR 26 5.682 1.490 -6.285 201 HG21 THR 26 3HG2 THR 26 2.566 2.686 -7.405 202 HG22 THR 26 1HG2 THR 26 3.950 2.201 -8.385 203 HG23 THR 26 2HG2 THR 26 4.194 3.183 -6.941 204 H ILE 27 H ILE 27 2.058 3.275 -3.997 205 HA ILE 27 HA ILE 27 -0.631 2.272 -4.655 206 HB ILE 27 HB ILE 27 0.083 4.487 -2.728 207 HG12 ILE 27 1HG1 ILE 27 1.148 2.481 -1.907 208 HG13 ILE 27 2HG1 ILE 27 -0.273 2.810 -0.923 209 HG21 ILE 27 1HG2 ILE 27 -2.205 4.541 -3.509 210 HG22 ILE 27 2HG2 ILE 27 -2.150 4.063 -1.813 211 HG23 ILE 27 3HG2 ILE 27 -2.422 2.848 -3.063 212 HD11 ILE 27 3HD1 ILE 27 -0.126 0.788 -3.145 213 HD12 ILE 27 1HD1 ILE 27 -1.503 1.080 -2.082 214 HD13 ILE 27 2HD1 ILE 27 0.002 0.434 -1.422 215 H GLU 28 H GLU 28 -1.613 3.215 -6.362 216 HA GLU 28 HA GLU 28 -0.678 5.900 -7.116 217 HB2 GLU 28 1HB GLU 28 -0.162 4.177 -8.770 218 HB3 GLU 28 2HB GLU 28 -1.862 3.741 -8.863 219 HG2 GLU 28 1HG GLU 28 -2.432 5.763 -9.901 220 HG3 GLU 28 2HG GLU 28 -0.878 6.496 -9.506 221 H ASN 29 H ASN 29 -2.058 7.523 -7.306 222 HA ASN 29 HA ASN 29 -4.882 7.031 -6.699 223 HB2 ASN 29 1HB ASN 29 -3.828 8.713 -5.312 224 HB3 ASN 29 2HB ASN 29 -3.213 9.557 -6.727 225 HD21 ASN 29 2HD2 ASN 29 -4.188 11.457 -6.040 226 HD22 ASN 29 1HD2 ASN 29 -5.896 11.722 -6.182 227 H GLN 30 H GLN 30 -5.786 6.387 -8.600 228 HA GLN 30 HA GLN 30 -5.054 7.743 -11.070 229 HB2 GLN 30 1HB GLN 30 -6.980 5.452 -10.647 230 HB3 GLN 30 2HB GLN 30 -6.339 6.010 -12.187 231 HG2 GLN 30 1HG GLN 30 -4.051 5.443 -11.315 232 HG3 GLN 30 2HG GLN 30 -4.851 4.662 -9.954 233 HE21 GLN 30 2HE2 GLN 30 -3.133 3.522 -11.988 234 HE22 GLN 30 1HE2 GLN 30 -4.064 2.275 -12.755 235 H GLY 31 H GLY 31 -6.183 9.556 -9.551 236 HA2 GLY 31 1HA GLY 31 -8.763 10.032 -10.850 237 HA3 GLY 31 2HA GLY 31 -8.698 10.097 -9.093 238 H ASN 32 H ASN 32 -9.523 12.324 -10.321 239 HA ASN 32 HA ASN 32 -7.253 14.005 -11.011 240 HB2 ASN 32 1HB ASN 32 -8.884 15.625 -11.760 241 HB3 ASN 32 2HB ASN 32 -9.318 14.040 -12.387 242 HD21 ASN 32 2HD2 ASN 32 -10.970 16.386 -12.020 243 HD22 ASN 32 1HD2 ASN 32 -12.255 15.916 -10.963 244 H LYS 33 H LYS 33 -8.693 13.168 -8.187 245 HA LYS 33 HA LYS 33 -8.225 15.815 -7.001 246 HB2 LYS 33 1HB LYS 33 -10.523 14.966 -6.721 247 HB3 LYS 33 2HB LYS 33 -9.890 13.538 -5.915 248 HG2 LYS 33 1HG LYS 33 -9.132 14.822 -4.061 249 HG3 LYS 33 2HG LYS 33 -9.458 16.339 -4.904 250 HD2 LYS 33 1HD LYS 33 -11.838 15.862 -4.888 251 HD3 LYS 33 2HD LYS 33 -11.541 14.307 -4.115 252 HE2 LYS 33 1HE LYS 33 -10.666 15.427 -2.148 253 HE3 LYS 33 2HE LYS 33 -10.877 16.995 -2.928 254 HZ1 LYS 33 3HZ LYS 33 -13.118 15.118 -2.429 255 HZ2 LYS 33 1HZ LYS 33 -13.214 16.744 -2.899 256 HZ3 LYS 33 2HZ LYS 33 -12.677 16.343 -1.341 257 H ASP 34 H ASP 34 -6.601 16.056 -5.658 258 HA ASP 34 HA ASP 34 -4.735 13.979 -5.194 259 HB2 ASP 34 1HB ASP 34 -4.996 16.743 -3.997 260 HB3 ASP 34 2HB ASP 34 -3.639 15.668 -3.679 261 H SER 35 H SER 35 -4.398 12.680 -3.491 262 HA SER 35 HA SER 35 -6.544 12.520 -1.531 263 HB2 SER 35 1HB SER 35 -5.794 10.477 -2.734 264 HB3 SER 35 2HB SER 35 -4.203 10.656 -2.000 265 HG SER 35 HG SER 35 -5.069 10.227 -0.014 266 H THR 36 H THR 36 -6.285 12.813 0.630 267 HA THR 36 HA THR 36 -3.900 14.238 1.458 268 HB THR 36 HB THR 36 -5.393 14.289 3.659 269 HG1 THR 36 HG1 THR 36 -7.545 14.029 3.245 270 HG21 THR 36 3HG2 THR 36 -4.731 16.246 2.357 271 HG22 THR 36 1HG2 THR 36 -6.430 16.352 2.822 272 HG23 THR 36 2HG2 THR 36 -5.992 15.897 1.175 273 H SER 37 H SER 37 -3.859 13.584 4.192 274 HA SER 37 HA SER 37 -2.131 11.386 4.168 275 HB2 SER 37 1HB SER 37 -3.545 12.640 6.532 276 HB3 SER 37 2HB SER 37 -2.104 11.625 6.604 277 HG SER 37 HG SER 37 -1.381 13.397 4.948 278 H PHE 38 H PHE 38 -2.544 9.309 4.047 279 HA PHE 38 HA PHE 38 -4.925 8.233 5.378 280 HB2 PHE 38 1HB PHE 38 -5.417 6.777 3.483 281 HB3 PHE 38 2HB PHE 38 -5.457 8.458 2.972 282 HD1 PHE 38 HD1 PHE 38 -3.366 9.379 1.798 283 HD2 PHE 38 HD2 PHE 38 -4.106 5.226 2.362 284 HE1 PHE 38 HE1 PHE 38 -1.783 8.851 -0.010 285 HE2 PHE 38 HE2 PHE 38 -2.530 4.703 0.556 286 HZ PHE 38 HZ PHE 38 -1.358 6.497 -0.617 287 H ASN 39 H ASN 39 -4.741 5.931 5.867 288 HA ASN 39 HA ASN 39 -1.943 5.297 6.502 289 HB2 ASN 39 1HB ASN 39 -4.515 4.172 7.634 290 HB3 ASN 39 2HB ASN 39 -2.899 3.700 8.141 291 HD21 ASN 39 2HD2 ASN 39 -1.828 6.392 7.994 292 HD22 ASN 39 1HD2 ASN 39 -2.480 7.242 9.345 293 H VAL 40 H VAL 40 -0.940 3.880 5.189 294 HA VAL 40 HA VAL 40 -2.594 1.802 3.937 295 HB VAL 40 HB VAL 40 -0.113 3.190 3.035 296 HG11 VAL 40 1HG1 VAL 40 -0.761 0.344 2.252 297 HG12 VAL 40 2HG1 VAL 40 0.646 0.855 3.186 298 HG13 VAL 40 3HG1 VAL 40 0.466 1.369 1.509 299 HG21 VAL 40 3HG2 VAL 40 -2.333 3.671 2.127 300 HG22 VAL 40 1HG2 VAL 40 -2.466 1.997 1.591 301 HG23 VAL 40 2HG2 VAL 40 -1.227 3.046 0.900 302 H SER 41 H SER 41 -2.603 -0.068 4.893 303 HA SER 41 HA SER 41 -0.340 -0.776 6.632 304 HB2 SER 41 1HB SER 41 -2.067 -2.234 7.795 305 HB3 SER 41 2HB SER 41 -2.314 -0.494 7.945 306 HG SER 41 HG SER 41 -3.557 -2.023 5.915 307 H LEU 42 H LEU 42 0.652 -2.701 6.417 308 HA LEU 42 HA LEU 42 -0.124 -4.351 4.122 309 HB2 LEU 42 1HB LEU 42 2.204 -3.540 4.246 310 HB3 LEU 42 2HB LEU 42 2.404 -4.374 5.775 311 HG LEU 42 HG LEU 42 1.984 -6.532 4.599 312 HD11 LEU 42 1HD1 LEU 42 2.132 -6.574 2.158 313 HD12 LEU 42 2HD1 LEU 42 2.136 -4.810 2.128 314 HD13 LEU 42 3HD1 LEU 42 0.715 -5.680 2.708 315 HD21 LEU 42 3HD2 LEU 42 4.249 -5.777 5.065 316 HD22 LEU 42 1HD2 LEU 42 4.273 -4.873 3.551 317 HD23 LEU 42 2HD2 LEU 42 4.175 -6.634 3.526 318 H LEU 43 H LEU 43 -1.308 -6.086 4.500 319 HA LEU 43 HA LEU 43 -1.197 -7.320 7.163 320 HB2 LEU 43 1HB LEU 43 -3.287 -7.637 5.006 321 HB3 LEU 43 2HB LEU 43 -3.344 -8.360 6.601 322 HG LEU 43 HG LEU 43 -3.229 -5.853 7.402 323 HD11 LEU 43 1HD1 LEU 43 -4.420 -4.347 5.905 324 HD12 LEU 43 2HD1 LEU 43 -4.408 -5.585 4.650 325 HD13 LEU 43 3HD1 LEU 43 -2.890 -4.882 5.208 326 HD21 LEU 43 3HD2 LEU 43 -5.668 -5.803 7.442 327 HD22 LEU 43 1HD2 LEU 43 -5.054 -7.403 7.854 328 HD23 LEU 43 2HD2 LEU 43 -5.717 -7.100 6.248 329 H VAL 44 H VAL 44 -0.304 -9.245 7.408 330 HA VAL 44 HA VAL 44 0.410 -10.788 5.017 331 HB VAL 44 HB VAL 44 1.402 -11.034 7.865 332 HG11 VAL 44 1HG1 VAL 44 2.259 -12.539 5.396 333 HG12 VAL 44 2HG1 VAL 44 1.356 -13.208 6.755 334 HG13 VAL 44 3HG1 VAL 44 3.012 -12.648 6.986 335 HG21 VAL 44 3HG2 VAL 44 2.240 -9.052 6.724 336 HG22 VAL 44 1HG2 VAL 44 2.765 -10.043 5.363 337 HG23 VAL 44 2HG2 VAL 44 3.528 -10.236 6.942 338 H ASP 45 H ASP 45 -1.241 -12.037 4.470 339 HA ASP 45 HA ASP 45 -2.810 -13.662 4.501 340 HB2 ASP 45 1HB ASP 45 -1.108 -14.555 6.822 341 HB3 ASP 45 2HB ASP 45 -2.516 -15.472 6.298 342 H GLY 46 H GLY 46 -3.074 -11.157 6.260 343 HA2 GLY 46 1HA GLY 46 -5.460 -10.706 6.843 344 HA3 GLY 46 2HA GLY 46 -5.369 -12.161 7.822 345 H ILE 47 H ILE 47 -2.576 -11.411 8.681 346 HA ILE 47 HA ILE 47 -3.457 -9.715 10.894 347 HB ILE 47 HB ILE 47 -0.711 -10.886 10.669 348 HG12 ILE 47 1HG1 ILE 47 -3.140 -12.344 11.734 349 HG13 ILE 47 2HG1 ILE 47 -2.361 -12.702 10.196 350 HG21 ILE 47 1HG2 ILE 47 -0.882 -10.943 13.116 351 HG22 ILE 47 2HG2 ILE 47 -2.509 -10.273 13.004 352 HG23 ILE 47 3HG2 ILE 47 -1.125 -9.320 12.468 353 HD11 ILE 47 3HD1 ILE 47 -0.319 -13.320 11.374 354 HD12 ILE 47 1HD1 ILE 47 -1.696 -14.278 11.917 355 HD13 ILE 47 2HD1 ILE 47 -1.096 -12.955 12.915 356 H VAL 48 H VAL 48 -2.366 -7.816 11.491 357 HA VAL 48 HA VAL 48 -1.199 -6.418 9.208 358 HB VAL 48 HB VAL 48 -2.038 -5.312 11.897 359 HG11 VAL 48 1HG1 VAL 48 -0.342 -3.935 10.825 360 HG12 VAL 48 2HG1 VAL 48 -1.908 -3.124 10.787 361 HG13 VAL 48 3HG1 VAL 48 -1.284 -3.907 9.335 362 HG21 VAL 48 3HG2 VAL 48 -3.940 -6.194 10.658 363 HG22 VAL 48 1HG2 VAL 48 -3.465 -5.260 9.239 364 HG23 VAL 48 2HG2 VAL 48 -3.991 -4.432 10.704 365 H VAL 49 H VAL 49 0.933 -6.210 8.998 366 HA VAL 49 HA VAL 49 2.589 -6.637 11.389 367 HB VAL 49 HB VAL 49 4.462 -7.084 9.830 368 HG11 VAL 49 1HG1 VAL 49 3.172 -8.923 10.748 369 HG12 VAL 49 2HG1 VAL 49 3.666 -9.287 9.093 370 HG13 VAL 49 3HG1 VAL 49 2.007 -8.789 9.429 371 HG21 VAL 49 3HG2 VAL 49 3.692 -5.802 7.907 372 HG22 VAL 49 1HG2 VAL 49 2.336 -6.908 7.695 373 HG23 VAL 49 2HG2 VAL 49 3.986 -7.483 7.458 374 H ASP 50 H ASP 50 1.824 -4.313 8.917 375 HA ASP 50 HA ASP 50 3.432 -2.332 10.299 376 HB2 ASP 50 1HB ASP 50 4.952 -3.370 8.588 377 HB3 ASP 50 2HB ASP 50 3.841 -2.816 7.339 378 H THR 51 H THR 51 2.554 -0.335 10.181 379 HA THR 51 HA THR 51 0.476 0.143 8.150 380 HB THR 51 HB THR 51 0.381 1.171 10.998 381 HG1 THR 51 HG1 THR 51 -0.122 -0.977 11.141 382 HG21 THR 51 3HG2 THR 51 -1.906 1.840 10.414 383 HG22 THR 51 1HG2 THR 51 -1.658 1.254 8.769 384 HG23 THR 51 2HG2 THR 51 -0.724 2.625 9.366 385 H GLN 52 H GLN 52 1.264 1.653 6.804 386 HA GLN 52 HA GLN 52 3.134 3.643 7.909 387 HB2 GLN 52 1HB GLN 52 3.619 1.911 5.909 388 HB3 GLN 52 2HB GLN 52 2.918 3.222 4.975 389 HG2 GLN 52 1HG GLN 52 5.324 3.403 6.776 390 HG3 GLN 52 2HG GLN 52 5.332 3.381 5.015 391 HE21 GLN 52 2HE2 GLN 52 4.613 5.207 3.890 392 HE22 GLN 52 1HE2 GLN 52 4.506 6.755 4.650 393 H THR 53 H THR 53 2.404 5.633 8.089 394 HA THR 53 HA THR 53 -0.080 6.433 6.865 395 HB THR 53 HB THR 53 1.830 8.034 8.583 396 HG1 THR 53 HG1 THR 53 0.827 7.171 10.269 397 HG21 THR 53 3HG2 THR 53 -0.105 9.491 8.981 398 HG22 THR 53 1HG2 THR 53 -1.063 8.527 7.856 399 HG23 THR 53 2HG2 THR 53 0.322 9.450 7.270 400 H VAL 54 H VAL 54 -0.066 7.029 4.792 401 HA VAL 54 HA VAL 54 2.259 8.314 3.621 402 HB VAL 54 HB VAL 54 -0.429 7.761 2.345 403 HG11 VAL 54 1HG1 VAL 54 0.806 7.969 0.234 404 HG12 VAL 54 2HG1 VAL 54 2.264 8.382 1.135 405 HG13 VAL 54 3HG1 VAL 54 0.867 9.457 1.180 406 HG21 VAL 54 3HG2 VAL 54 0.631 5.784 1.354 407 HG22 VAL 54 1HG2 VAL 54 0.578 5.681 3.113 408 HG23 VAL 54 2HG2 VAL 54 2.087 6.095 2.301 409 H THR 55 H THR 55 2.528 10.426 3.582 410 HA THR 55 HA THR 55 0.883 12.152 5.017 411 HB THR 55 HB THR 55 2.731 13.240 2.937 412 HG1 THR 55 HG1 THR 55 4.138 11.763 3.609 413 HG21 THR 55 3HG2 THR 55 2.304 13.828 5.869 414 HG22 THR 55 1HG2 THR 55 1.619 14.744 4.527 415 HG23 THR 55 2HG2 THR 55 3.365 14.722 4.780 416 H SER 56 H SER 56 1.130 11.614 1.535 417 HA SER 56 HA SER 56 -1.502 12.405 0.997 418 HB2 SER 56 1HB SER 56 -0.727 14.676 1.453 419 HB3 SER 56 2HB SER 56 0.613 14.476 0.323 420 HG SER 56 HG SER 56 -2.112 14.243 -0.445 421 H LEU 57 H LEU 57 -2.009 12.222 -1.269 422 HA LEU 57 HA LEU 57 0.139 11.065 -2.899 423 HB2 LEU 57 1HB LEU 57 -1.152 9.224 -1.973 424 HB3 LEU 57 2HB LEU 57 -2.641 9.950 -2.538 425 HG LEU 57 HG LEU 57 -2.105 9.487 -4.820 426 HD11 LEU 57 1HD1 LEU 57 0.583 8.542 -3.831 427 HD12 LEU 57 2HD1 LEU 57 0.274 10.007 -4.764 428 HD13 LEU 57 3HD1 LEU 57 -0.009 8.425 -5.489 429 HD21 LEU 57 3HD2 LEU 57 -3.030 7.629 -3.556 430 HD22 LEU 57 1HD2 LEU 57 -1.407 7.122 -3.083 431 HD23 LEU 57 2HD2 LEU 57 -1.898 7.044 -4.775 432 H GLU 58 H GLU 58 0.399 12.333 -4.540 433 HA GLU 58 HA GLU 58 -1.322 14.408 -5.281 434 HB2 GLU 58 1HB GLU 58 1.212 14.136 -5.587 435 HB3 GLU 58 2HB GLU 58 0.820 13.239 -7.043 436 HG2 GLU 58 1HG GLU 58 -0.213 15.154 -8.024 437 HG3 GLU 58 2HG GLU 58 -0.067 16.061 -6.518 438 H SER 59 H SER 59 -2.544 14.759 -7.156 439 HA SER 59 HA SER 59 -4.185 12.638 -7.963 440 HB2 SER 59 1HB SER 59 -4.729 14.424 -9.863 441 HB3 SER 59 2HB SER 59 -5.256 14.651 -8.196 442 HG SER 59 HG SER 59 -3.992 16.316 -8.035 443 H GLU 60 H GLU 60 -4.057 11.169 -9.482 444 HA GLU 60 HA GLU 60 -3.333 9.866 -11.173 445 HB2 GLU 60 1HB GLU 60 -3.960 11.989 -12.438 446 HB3 GLU 60 2HB GLU 60 -2.241 12.353 -12.481 447 HG2 GLU 60 1HG GLU 60 -1.849 10.211 -13.638 448 HG3 GLU 60 2HG GLU 60 -3.590 9.937 -13.663 449 H ASN 61 H ASN 61 -1.537 10.579 -8.919 450 HA ASN 61 HA ASN 61 1.003 9.826 -10.208 451 HB2 ASN 61 1HB ASN 61 0.452 11.715 -7.952 452 HB3 ASN 61 2HB ASN 61 1.976 10.836 -7.983 453 HD21 ASN 61 2HD2 ASN 61 -0.014 13.184 -9.637 454 HD22 ASN 61 1HD2 ASN 61 1.259 13.861 -10.602 455 H SER 62 H SER 62 2.414 8.491 -8.891 456 HA SER 62 HA SER 62 0.900 6.772 -7.049 457 HB2 SER 62 1HB SER 62 3.226 5.438 -8.025 458 HB3 SER 62 2HB SER 62 1.533 5.031 -8.312 459 HG SER 62 HG SER 62 1.589 6.008 -10.218 460 H THR 63 H THR 63 1.843 6.185 -5.124 461 HA THR 63 HA THR 63 4.453 7.409 -4.504 462 HB THR 63 HB THR 63 1.989 7.175 -2.776 463 HG1 THR 63 HG1 THR 63 3.025 9.107 -4.253 464 HG21 THR 63 3HG2 THR 63 3.894 6.466 -1.423 465 HG22 THR 63 1HG2 THR 63 3.323 8.054 -0.912 466 HG23 THR 63 2HG2 THR 63 4.783 7.915 -1.893 467 H ASN 64 H ASN 64 5.968 6.118 -3.630 468 HA ASN 64 HA ASN 64 5.349 3.282 -3.451 469 HB2 ASN 64 1HB ASN 64 7.922 4.852 -3.477 470 HB3 ASN 64 2HB ASN 64 7.886 3.133 -3.102 471 HD21 ASN 64 2HD2 ASN 64 9.130 4.549 -5.337 472 HD22 ASN 64 1HD2 ASN 64 8.456 3.843 -6.774 473 H VAL 65 H VAL 65 4.739 2.433 -1.601 474 HA VAL 65 HA VAL 65 5.392 3.802 0.909 475 HB VAL 65 HB VAL 65 3.543 1.446 0.593 476 HG11 VAL 65 1HG1 VAL 65 4.199 1.985 2.863 477 HG12 VAL 65 2HG1 VAL 65 2.496 2.365 2.609 478 HG13 VAL 65 3HG1 VAL 65 3.694 3.659 2.633 479 HG21 VAL 65 3HG2 VAL 65 2.762 3.088 -0.977 480 HG22 VAL 65 1HG2 VAL 65 2.875 4.364 0.242 481 HG23 VAL 65 2HG2 VAL 65 1.687 3.070 0.425 482 H ASP 66 H ASP 66 7.176 3.120 1.908 483 HA ASP 66 HA ASP 66 8.051 0.358 1.519 484 HB2 ASP 66 1HB ASP 66 9.500 2.751 2.665 485 HB3 ASP 66 2HB ASP 66 10.191 1.138 2.525 486 H PHE 67 H PHE 67 7.508 -1.087 2.950 487 HA PHE 67 HA PHE 67 6.592 -0.272 5.599 488 HB2 PHE 67 1HB PHE 67 6.513 -2.974 4.241 489 HB3 PHE 67 2HB PHE 67 5.782 -2.592 5.794 490 HD1 PHE 67 HD2 PHE 67 3.979 -0.768 5.818 491 HD2 PHE 67 HD1 PHE 67 5.315 -2.727 2.287 492 HE1 PHE 67 HE2 PHE 67 1.896 -0.126 4.681 493 HE2 PHE 67 HE1 PHE 67 3.234 -2.090 1.145 494 HZ PHE 67 HZ PHE 67 1.522 -0.789 2.339 495 H HIS 68 H HIS 68 7.192 -1.616 7.480 496 HA HIS 68 HA HIS 68 9.985 -2.562 7.296 497 HB2 HIS 68 1HB HIS 68 8.547 -1.508 9.750 498 HB3 HIS 68 2HB HIS 68 10.232 -2.006 9.666 499 HD1 HIS 68 HD1 HIS 68 11.897 -0.222 9.107 500 HD2 HIS 68 HD2 HIS 68 7.995 0.884 8.168 501 HE1 HIS 68 HE1 HIS 68 12.020 2.191 8.401 502 HE2 HIS 68 HE2 HIS 68 9.688 2.759 7.623 503 H TRP 69 H TRP 69 9.423 -4.679 6.745 504 HA TRP 69 HA TRP 69 7.774 -6.114 8.710 505 HB2 TRP 69 1HB TRP 69 6.725 -6.207 6.560 506 HB3 TRP 69 2HB TRP 69 8.235 -6.647 5.770 507 HD1 TRP 69 HD1 TRP 69 7.033 -8.396 8.963 508 HE1 TRP 69 HE1 TRP 69 6.577 -10.868 8.423 509 HE3 TRP 69 HE3 TRP 69 7.576 -8.220 3.877 510 HZ2 TRP 69 HZ2 TRP 69 6.482 -12.525 6.132 511 HZ3 TRP 69 HZ3 TRP 69 7.275 -10.291 2.592 512 HH2 TRP 69 HH2 TRP 69 6.730 -12.397 3.697 513 H THR 70 H THR 70 8.931 -7.187 10.108 514 HA THR 70 HA THR 70 11.568 -8.205 9.518 515 HB THR 70 HB THR 70 9.913 -8.830 11.963 516 HG1 THR 70 HG1 THR 70 9.918 -6.565 11.723 517 HG21 THR 70 3HG2 THR 70 12.891 -8.553 11.529 518 HG22 THR 70 1HG2 THR 70 12.009 -10.071 11.695 519 HG23 THR 70 2HG2 THR 70 12.104 -8.953 13.056 520 H LEU 71 H LEU 71 11.816 -10.066 8.408 521 HA LEU 71 HA LEU 71 9.659 -11.869 8.006 522 HB2 LEU 71 1HB LEU 71 12.310 -11.508 6.963 523 HB3 LEU 71 2HB LEU 71 12.044 -13.201 7.344 524 HG LEU 71 HG LEU 71 11.438 -12.827 5.051 525 HD11 LEU 71 1HD1 LEU 71 9.126 -13.567 5.053 526 HD12 LEU 71 2HD1 LEU 71 8.970 -13.089 6.743 527 HD13 LEU 71 3HD1 LEU 71 10.064 -14.397 6.293 528 HD21 LEU 71 3HD2 LEU 71 11.066 -10.438 5.133 529 HD22 LEU 71 1HD2 LEU 71 9.606 -10.680 6.090 530 HD23 LEU 71 2HD2 LEU 71 9.674 -11.252 4.423 531 H ASP 72 H ASP 72 8.928 -13.295 9.353 532 HA ASP 72 HA ASP 72 10.431 -14.192 11.620 533 HB2 ASP 72 1HB ASP 72 8.389 -15.618 12.034 534 HB3 ASP 72 2HB ASP 72 8.088 -13.886 11.949 535 H GLY 73 H GLY 73 9.496 -15.539 8.501 536 HA2 GLY 73 1HA GLY 73 10.678 -17.153 7.307 537 HA3 GLY 73 2HA GLY 73 11.653 -17.462 8.736 538 H THR 74 H THR 74 8.295 -17.458 9.286 539 HA THR 74 HA THR 74 8.316 -20.234 9.990 540 HB THR 74 HB THR 74 5.945 -18.366 9.816 541 HG1 THR 74 HG1 THR 74 7.197 -17.351 11.244 542 HG21 THR 74 3HG2 THR 74 4.991 -19.824 11.543 543 HG22 THR 74 1HG2 THR 74 6.416 -20.859 11.456 544 HG23 THR 74 2HG2 THR 74 5.340 -20.720 10.064 545 H ALA 75 H ALA 75 7.336 -18.384 7.212 546 HA ALA 75 HA ALA 75 6.371 -20.856 5.948 547 HB1 ALA 75 3HB ALA 75 4.429 -19.492 6.563 548 HB2 ALA 75 1HB ALA 75 4.609 -19.608 4.812 549 HB3 ALA 75 2HB ALA 75 5.095 -18.136 5.654 550 H ASN 76 H ASN 76 6.487 -20.802 3.584 551 HA ASN 76 HA ASN 76 8.752 -19.159 2.691 552 HB2 ASN 76 1HB ASN 76 7.618 -21.768 1.712 553 HB3 ASN 76 2HB ASN 76 8.699 -20.808 0.708 554 HD21 ASN 76 2HD2 ASN 76 8.411 -22.730 3.593 555 HD22 ASN 76 1HD2 ASN 76 10.109 -22.914 3.871 556 H SER 77 H SER 77 5.477 -19.166 2.629 557 HA SER 77 HA SER 77 5.456 -17.256 0.430 558 HB2 SER 77 1HB SER 77 3.481 -19.546 0.627 559 HB3 SER 77 2HB SER 77 3.450 -18.251 -0.569 560 HG SER 77 HG SER 77 5.856 -19.254 -0.696 561 H TYR 78 H TYR 78 4.604 -15.464 1.193 562 HA TYR 78 HA TYR 78 2.619 -15.651 3.368 563 HB2 TYR 78 1HB TYR 78 4.593 -13.449 2.723 564 HB3 TYR 78 2HB TYR 78 3.341 -13.328 3.951 565 HD1 TYR 78 HD1 TYR 78 6.442 -15.135 3.020 566 HD2 TYR 78 HD2 TYR 78 3.665 -14.224 6.109 567 HE1 TYR 78 HE1 TYR 78 7.990 -16.073 4.683 568 HE2 TYR 78 HE2 TYR 78 5.200 -15.165 7.778 569 HH TYR 78 HH TYR 78 7.089 -16.297 8.116 570 H THR 79 H THR 79 0.699 -14.572 3.153 571 HA THR 79 HA THR 79 0.112 -13.560 0.474 572 HB THR 79 HB THR 79 -1.847 -13.883 2.751 573 HG1 THR 79 HG1 THR 79 -1.288 -15.942 2.533 574 HG21 THR 79 3HG2 THR 79 -3.482 -14.083 0.937 575 HG22 THR 79 1HG2 THR 79 -2.195 -13.866 -0.250 576 HG23 THR 79 2HG2 THR 79 -2.615 -12.549 0.846 577 H LEU 80 H LEU 80 1.204 -11.573 0.567 578 HA LEU 80 HA LEU 80 0.629 -9.742 2.720 579 HB2 LEU 80 1HB LEU 80 2.530 -9.842 0.477 580 HB3 LEU 80 2HB LEU 80 1.994 -8.238 0.942 581 HG LEU 80 HG LEU 80 2.765 -8.618 3.229 582 HD11 LEU 80 1HD1 LEU 80 4.063 -10.603 3.797 583 HD12 LEU 80 2HD1 LEU 80 3.709 -11.290 2.212 584 HD13 LEU 80 3HD1 LEU 80 2.403 -11.019 3.367 585 HD21 LEU 80 3HD2 LEU 80 4.303 -7.651 1.617 586 HD22 LEU 80 1HD2 LEU 80 4.847 -9.262 1.153 587 HD23 LEU 80 2HD2 LEU 80 5.164 -8.660 2.779 588 H THR 81 H THR 81 -1.027 -8.515 2.790 589 HA THR 81 HA THR 81 -2.387 -7.752 0.289 590 HB THR 81 HB THR 81 -3.652 -8.020 3.022 591 HG1 THR 81 HG1 THR 81 -2.724 -10.005 1.802 592 HG21 THR 81 3HG2 THR 81 -4.856 -6.596 1.441 593 HG22 THR 81 1HG2 THR 81 -5.742 -8.091 1.743 594 HG23 THR 81 2HG2 THR 81 -4.830 -7.892 0.245 595 H VAL 82 H VAL 82 -2.155 -5.656 -0.142 596 HA VAL 82 HA VAL 82 -1.505 -3.781 1.987 597 HB VAL 82 HB VAL 82 -1.826 -3.298 -0.983 598 HG11 VAL 82 1HG1 VAL 82 -0.683 -1.522 1.170 599 HG12 VAL 82 2HG1 VAL 82 -2.210 -1.276 0.325 600 HG13 VAL 82 3HG1 VAL 82 -0.687 -1.175 -0.558 601 HG21 VAL 82 3HG2 VAL 82 0.041 -4.784 -0.513 602 HG22 VAL 82 1HG2 VAL 82 0.659 -3.650 0.689 603 HG23 VAL 82 2HG2 VAL 82 0.627 -3.198 -1.016 604 H ASN 83 H ASN 83 -3.178 -3.090 3.180 605 HA ASN 83 HA ASN 83 -5.711 -2.497 1.823 606 HB2 ASN 83 1HB ASN 83 -5.902 -3.841 3.853 607 HB3 ASN 83 2HB ASN 83 -5.056 -2.602 4.776 608 HD21 ASN 83 2HD2 ASN 83 -6.135 -0.759 5.388 609 HD22 ASN 83 1HD2 ASN 83 -7.846 -0.573 5.226 610 H VAL 84 H VAL 84 -5.888 -0.545 1.029 611 HA VAL 84 HA VAL 84 -4.362 1.666 2.093 612 HB VAL 84 HB VAL 84 -6.328 1.548 -0.202 613 HG11 VAL 84 1HG1 VAL 84 -6.195 3.801 0.705 614 HG12 VAL 84 2HG1 VAL 84 -5.399 3.715 -0.869 615 HG13 VAL 84 3HG1 VAL 84 -4.434 3.750 0.607 616 HG21 VAL 84 3HG2 VAL 84 -4.331 1.634 -1.618 617 HG22 VAL 84 1HG2 VAL 84 -4.328 0.206 -0.583 618 HG23 VAL 84 2HG2 VAL 84 -3.311 1.589 -0.181 619 H ASP 85 H ASP 85 -5.047 2.624 3.828 620 HA ASP 85 HA ASP 85 -6.238 3.877 5.246 621 HB2 ASP 85 1HB ASP 85 -6.850 5.250 3.361 622 HB3 ASP 85 2HB ASP 85 -8.162 4.150 2.940 623 HA PRO 86 HA PRO 86 -9.195 0.843 6.764 624 HB2 PRO 86 1HB PRO 86 -7.948 0.317 9.075 625 HB3 PRO 86 2HB PRO 86 -7.420 -0.416 7.558 626 HG2 PRO 86 1HG PRO 86 -6.157 1.726 9.152 627 HG3 PRO 86 2HG PRO 86 -5.420 0.581 8.020 628 HD2 PRO 86 1HD PRO 86 -6.177 3.307 7.540 629 HD3 PRO 86 2HD PRO 86 -5.458 2.157 6.398 630 H GLU 87 H GLU 87 -8.462 3.970 7.336 631 HA GLU 87 HA GLU 87 -9.914 4.170 9.884 632 HB2 GLU 87 1HB GLU 87 -7.662 5.228 9.715 633 HB3 GLU 87 2HB GLU 87 -8.282 6.274 8.446 634 HG2 GLU 87 1HG GLU 87 -9.931 7.173 10.056 635 HG3 GLU 87 2HG GLU 87 -9.177 6.199 11.316 636 H ASN 88 H ASN 88 -10.349 4.466 6.586 637 HA ASN 88 HA ASN 88 -11.996 5.254 5.246 638 HB2 ASN 88 1HB ASN 88 -13.522 4.414 7.070 639 HB3 ASN 88 2HB ASN 88 -13.495 6.032 7.761 640 HD21 ASN 88 2HD2 ASN 88 -13.497 5.365 4.318 641 HD22 ASN 88 1HD2 ASN 88 -15.084 5.987 4.009 642 H ALA 89 H ALA 89 -9.783 6.815 6.105 643 HA ALA 89 HA ALA 89 -10.604 9.534 6.494 644 HB1 ALA 89 3HB ALA 89 -8.416 8.741 7.248 645 HB2 ALA 89 1HB ALA 89 -8.249 10.067 6.098 646 HB3 ALA 89 2HB ALA 89 -7.957 8.407 5.578 647 H VAL 90 H VAL 90 -9.725 7.484 3.775 648 HA VAL 90 HA VAL 90 -10.633 9.615 1.949 649 HB VAL 90 HB VAL 90 -8.316 7.737 1.432 650 HG11 VAL 90 1HG1 VAL 90 -9.583 8.180 -0.590 651 HG12 VAL 90 2HG1 VAL 90 -8.031 9.020 -0.649 652 HG13 VAL 90 3HG1 VAL 90 -9.504 9.917 -0.283 653 HG21 VAL 90 3HG2 VAL 90 -6.938 9.782 1.403 654 HG22 VAL 90 1HG2 VAL 90 -7.667 9.483 2.982 655 HG23 VAL 90 2HG2 VAL 90 -8.344 10.716 1.917 656 H ASN 91 H ASN 91 -12.452 8.894 1.033 657 HA ASN 91 HA ASN 91 -12.801 6.040 0.603 658 HB2 ASN 91 1HB ASN 91 -14.688 7.502 1.444 659 HB3 ASN 91 2HB ASN 91 -14.730 8.240 -0.157 660 HD21 ASN 91 2HD2 ASN 91 -16.813 7.494 -0.569 661 HD22 ASN 91 1HD2 ASN 91 -17.132 5.820 -0.911 662 H GLU 92 H GLU 92 -13.100 5.115 -1.441 663 HA GLU 92 HA GLU 92 -11.362 6.291 -3.413 664 HB2 GLU 92 1HB GLU 92 -13.003 3.776 -3.636 665 HB3 GLU 92 2HB GLU 92 -11.621 4.227 -4.612 666 HG2 GLU 92 1HG GLU 92 -10.124 3.855 -2.834 667 HG3 GLU 92 2HG GLU 92 -11.444 3.722 -1.665 668 H GLY 93 H GLY 93 -11.897 6.667 -5.600 669 HA2 GLY 93 1HA GLY 93 -14.440 7.339 -6.525 670 HA3 GLY 93 2HA GLY 93 -13.138 6.700 -7.529 671 H ASN 94 H ASN 94 -13.260 4.652 -8.257 672 HA ASN 94 HA ASN 94 -15.557 3.030 -7.818 673 HB2 ASN 94 1HB ASN 94 -14.141 2.861 -9.845 674 HB3 ASN 94 2HB ASN 94 -12.818 2.247 -8.859 675 HD21 ASN 94 2HD2 ASN 94 -12.778 0.374 -10.138 676 HD22 ASN 94 1HD2 ASN 94 -13.962 -0.875 -9.946 677 H GLU 95 H GLU 95 -16.008 2.212 -5.859 678 HA GLU 95 HA GLU 95 -13.971 2.066 -3.836 679 HB2 GLU 95 1HB GLU 95 -16.864 1.215 -3.637 680 HB3 GLU 95 2HB GLU 95 -15.782 1.589 -2.306 681 HG2 GLU 95 1HG GLU 95 -15.725 3.908 -2.937 682 HG3 GLU 95 2HG GLU 95 -16.671 3.574 -4.386 683 H SER 96 H SER 96 -12.792 0.291 -5.130 684 HA SER 96 HA SER 96 -13.185 -2.197 -3.766 685 HB2 SER 96 1HB SER 96 -13.850 -2.056 -6.714 686 HB3 SER 96 2HB SER 96 -13.430 -3.562 -5.901 687 HG SER 96 HG SER 96 -15.452 -1.954 -4.803 688 H ASN 97 H ASN 97 -11.079 -0.094 -4.554 689 HA ASN 97 HA ASN 97 -9.200 -1.952 -5.876 690 HB2 ASN 97 1HB ASN 97 -9.270 1.066 -6.002 691 HB3 ASN 97 2HB ASN 97 -8.017 0.057 -6.716 692 HD21 ASN 97 2HD2 ASN 97 -11.271 1.175 -6.937 693 HD22 ASN 97 1HD2 ASN 97 -11.585 0.567 -8.525 694 H ASN 98 H ASN 98 -9.817 -0.136 -3.062 695 HA ASN 98 HA ASN 98 -7.246 0.696 -2.352 696 HB2 ASN 98 1HB ASN 98 -8.098 1.179 -0.207 697 HB3 ASN 98 2HB ASN 98 -9.443 1.419 -1.313 698 HD21 ASN 98 2HD2 ASN 98 -9.368 0.848 1.564 699 HD22 ASN 98 1HD2 ASN 98 -10.342 -0.565 1.778 700 H THR 99 H THR 99 -8.332 -2.493 -2.520 701 HA THR 99 HA THR 99 -6.265 -3.295 -0.581 702 HB THR 99 HB THR 99 -8.359 -5.197 -1.525 703 HG1 THR 99 HG1 THR 99 -9.065 -2.967 -0.467 704 HG21 THR 99 3HG2 THR 99 -7.998 -6.170 0.692 705 HG22 THR 99 1HG2 THR 99 -6.861 -4.876 1.074 706 HG23 THR 99 2HG2 THR 99 -6.483 -6.036 -0.200 707 H LEU 100 H LEU 100 -4.803 -4.833 -1.137 708 HA LEU 100 HA LEU 100 -4.757 -5.851 -3.881 709 HB2 LEU 100 1HB LEU 100 -3.383 -3.825 -3.931 710 HB3 LEU 100 2HB LEU 100 -2.473 -4.386 -2.542 711 HG LEU 100 HG LEU 100 -1.720 -6.341 -3.965 712 HD11 LEU 100 1HD1 LEU 100 -3.436 -6.229 -5.677 713 HD12 LEU 100 2HD1 LEU 100 -1.833 -6.041 -6.391 714 HD13 LEU 100 3HD1 LEU 100 -2.868 -4.631 -6.165 715 HD21 LEU 100 3HD2 LEU 100 -0.943 -3.553 -4.807 716 HD22 LEU 100 1HD2 LEU 100 -0.012 -5.017 -5.123 717 HD23 LEU 100 2HD2 LEU 100 -0.262 -4.472 -3.464 718 H THR 101 H THR 101 -4.975 -7.962 -3.371 719 HA THR 101 HA THR 101 -3.405 -9.085 -1.175 720 HB THR 101 HB THR 101 -5.459 -10.463 -2.922 721 HG1 THR 101 HG1 THR 101 -6.969 -9.784 -1.535 722 HG21 THR 101 3HG2 THR 101 -3.942 -11.991 -1.762 723 HG22 THR 101 1HG2 THR 101 -5.565 -12.080 -1.080 724 HG23 THR 101 2HG2 THR 101 -4.300 -11.195 -0.229 725 H ALA 102 H ALA 102 -1.345 -9.458 -1.802 726 HA ALA 102 HA ALA 102 -0.933 -10.902 -4.340 727 HB1 ALA 102 3HB ALA 102 1.245 -9.820 -4.513 728 HB2 ALA 102 1HB ALA 102 0.943 -8.950 -3.009 729 HB3 ALA 102 2HB ALA 102 -0.047 -8.622 -4.431 730 H LEU 103 H LEU 103 1.018 -12.275 -4.365 731 HA LEU 103 HA LEU 103 1.487 -13.479 -1.719 732 HB2 LEU 103 1HB LEU 103 1.584 -14.718 -4.469 733 HB3 LEU 103 2HB LEU 103 2.109 -15.533 -3.009 734 HG LEU 103 HG LEU 103 -0.698 -14.548 -3.507 735 HD11 LEU 103 1HD1 LEU 103 0.442 -17.336 -3.640 736 HD12 LEU 103 2HD1 LEU 103 -0.114 -16.377 -5.012 737 HD13 LEU 103 3HD1 LEU 103 -1.262 -16.911 -3.784 738 HD21 LEU 103 3HD2 LEU 103 -1.255 -15.885 -1.538 739 HD22 LEU 103 1HD2 LEU 103 -0.098 -14.614 -1.145 740 HD23 LEU 103 2HD2 LEU 103 0.450 -16.281 -1.323 741 H VAL 104 H VAL 104 3.474 -13.456 -0.932 742 HA VAL 104 HA VAL 104 5.692 -12.886 -2.787 743 HB VAL 104 HB VAL 104 6.889 -11.765 -0.963 744 HG11 VAL 104 1HG1 VAL 104 4.139 -10.653 -1.494 745 HG12 VAL 104 2HG1 VAL 104 5.600 -10.374 -2.444 746 HG13 VAL 104 3HG1 VAL 104 5.479 -9.741 -0.802 747 HG21 VAL 104 3HG2 VAL 104 4.359 -12.183 0.620 748 HG22 VAL 104 1HG2 VAL 104 5.698 -11.142 1.104 749 HG23 VAL 104 2HG2 VAL 104 5.942 -12.884 0.956 750 H GLY 105 H GLY 105 7.576 -14.076 -2.551 751 HA2 GLY 105 1HA GLY 105 7.242 -16.456 -0.825 752 HA3 GLY 105 2HA GLY 105 8.073 -16.463 -2.374 753 H THR 106 H THR 106 9.494 -17.535 -0.464 754 HA THR 106 HA THR 106 11.162 -15.509 0.764 755 HB THR 106 HB THR 106 12.449 -17.458 1.639 756 HG1 THR 106 HG1 THR 106 10.976 -19.488 1.392 757 HG21 THR 106 3HG2 THR 106 10.711 -18.191 3.213 758 HG22 THR 106 1HG2 THR 106 9.478 -17.488 2.168 759 HG23 THR 106 2HG2 THR 106 10.664 -16.447 2.956 760 H LEU 107 H LEU 107 13.093 -14.860 0.039 761 HA LEU 107 HA LEU 107 13.710 -15.175 -2.674 762 HB2 LEU 107 1HB LEU 107 14.340 -13.240 -1.222 763 HB3 LEU 107 2HB LEU 107 15.562 -14.251 -0.477 764 HG LEU 107 HG LEU 107 16.668 -14.484 -2.695 765 HD11 LEU 107 1HD1 LEU 107 14.643 -12.419 -3.547 766 HD12 LEU 107 2HD1 LEU 107 14.727 -14.087 -4.112 767 HD13 LEU 107 3HD1 LEU 107 16.028 -12.961 -4.494 768 HD21 LEU 107 3HD2 LEU 107 16.268 -11.658 -1.721 769 HD22 LEU 107 1HD2 LEU 107 17.590 -12.218 -2.745 770 HD23 LEU 107 2HD2 LEU 107 17.438 -12.819 -1.095 771 H GLU 108 H GLU 108 14.955 -16.539 -3.774 772 HA GLU 108 HA GLU 108 15.803 -18.977 -2.693 773 HB2 GLU 108 1HB GLU 108 15.312 -18.864 -5.012 774 HB3 GLU 108 2HB GLU 108 16.428 -17.535 -5.265 775 HG2 GLU 108 1HG GLU 108 17.578 -20.088 -4.316 776 HG3 GLU 108 2HG GLU 108 16.962 -20.042 -5.967 777 H HIS 109 H HIS 109 17.460 -15.933 -3.145 778 HA HIS 109 HA HIS 109 20.017 -17.026 -2.333 779 HB2 HIS 109 1HB HIS 109 19.137 -14.196 -2.930 780 HB3 HIS 109 2HB HIS 109 20.770 -14.630 -2.440 781 HD1 HIS 109 HD1 HIS 109 22.135 -16.133 -4.140 782 HD2 HIS 109 HD2 HIS 109 18.570 -14.562 -5.592 783 HE1 HIS 109 HE1 HIS 109 22.272 -16.337 -6.644 784 HE2 HIS 109 HE2 HIS 109 19.991 -15.648 -7.463 785 H HIS 110 H HIS 110 20.234 -17.552 -0.272 786 HA HIS 110 HA HIS 110 18.971 -15.882 1.789 787 HB2 HIS 110 1HB HIS 110 19.010 -18.565 1.575 788 HB3 HIS 110 2HB HIS 110 20.490 -18.342 2.500 789 HD1 HIS 110 HD1 HIS 110 17.139 -19.112 3.072 790 HD2 HIS 110 HD2 HIS 110 19.769 -16.425 4.840 791 HE1 HIS 110 HE1 HIS 110 16.169 -18.611 5.331 792 HE2 HIS 110 HE2 HIS 110 17.939 -17.240 6.480 793 H HIS 111 H HIS 111 21.049 -14.724 0.414 794 HA HIS 111 HA HIS 111 22.971 -13.567 0.662 795 HB2 HIS 111 1HB HIS 111 22.518 -14.378 3.510 796 HB3 HIS 111 2HB HIS 111 24.032 -13.608 3.050 797 HD1 HIS 111 HD1 HIS 111 22.401 -12.060 4.984 798 HD2 HIS 111 HD2 HIS 111 21.834 -11.754 0.874 799 HE1 HIS 111 HE1 HIS 111 21.291 -9.835 4.613 800 HE2 HIS 111 HE2 HIS 111 21.217 -9.567 2.109 801 H HIS 112 H HIS 112 25.322 -14.020 1.955 802 HA HIS 112 HA HIS 112 27.241 -15.237 1.953 803 HB2 HIS 112 1HB HIS 112 25.429 -17.564 1.297 804 HB3 HIS 112 2HB HIS 112 27.177 -17.716 1.425 805 HD1 HIS 112 HD1 HIS 112 28.062 -18.229 3.687 806 HD2 HIS 112 HD2 HIS 112 24.210 -16.660 3.834 807 HE1 HIS 112 HE1 HIS 112 27.357 -18.384 6.093 808 HE2 HIS 112 HE2 HIS 112 25.091 -17.293 6.189 809 H HIS 113 H HIS 113 25.281 -14.597 -0.593 810 HA HIS 113 HA HIS 113 27.519 -14.628 -2.434 811 HB2 HIS 113 1HB HIS 113 24.933 -16.091 -2.999 812 HB3 HIS 113 2HB HIS 113 26.017 -15.553 -4.274 813 HD1 HIS 113 HD1 HIS 113 28.688 -16.456 -3.566 814 HD2 HIS 113 HD2 HIS 113 25.342 -18.702 -2.535 815 HE1 HIS 113 HE1 HIS 113 29.518 -18.808 -3.250 816 HE2 HIS 113 HE2 HIS 113 27.448 -20.177 -2.833 817 H HIS 114 H HIS 114 27.467 -12.882 -3.752 818 HA HIS 114 HA HIS 114 25.104 -11.603 -4.618 819 HB2 HIS 114 1HB HIS 114 25.243 -10.879 -2.158 820 HB3 HIS 114 2HB HIS 114 26.664 -9.951 -2.627 821 HD1 HIS 114 HD1 HIS 114 26.279 -7.741 -3.805 822 HD2 HIS 114 HD2 HIS 114 22.793 -9.950 -3.309 823 HE1 HIS 114 HE1 HIS 114 24.399 -6.189 -4.427 824 HE2 HIS 114 HE2 HIS 114 22.309 -7.585 -4.248 Start of MODEL 11 1 H1 MET 1 1H MET 1 -15.533 15.230 -8.629 2 H2 MET 1 2H MET 1 -15.357 13.821 -9.553 3 H3 MET 1 3H MET 1 -15.057 15.336 -10.256 4 HA MET 1 HA MET 1 -12.991 14.231 -9.776 5 HB2 MET 1 1HB MET 1 -13.593 16.526 -7.896 6 HB3 MET 1 2HB MET 1 -11.978 15.936 -8.255 7 HG2 MET 1 1HG MET 1 -12.315 16.519 -10.618 8 HG3 MET 1 2HG MET 1 -13.905 17.163 -10.211 9 HE1 MET 1 3HE MET 1 -9.932 18.934 -8.657 10 HE2 MET 1 1HE MET 1 -10.021 17.572 -9.772 11 HE3 MET 1 2HE MET 1 -10.579 17.389 -8.109 12 H ILE 2 H ILE 2 -12.243 12.512 -8.729 13 HA ILE 2 HA ILE 2 -12.679 12.312 -5.851 14 HB ILE 2 HB ILE 2 -14.495 11.046 -7.254 15 HG12 ILE 2 1HG1 ILE 2 -13.010 9.577 -5.067 16 HG13 ILE 2 2HG1 ILE 2 -14.136 10.904 -4.789 17 HG21 ILE 2 1HG2 ILE 2 -12.947 9.890 -8.749 18 HG22 ILE 2 2HG2 ILE 2 -13.901 8.742 -7.811 19 HG23 ILE 2 3HG2 ILE 2 -12.223 9.063 -7.369 20 HD11 ILE 2 3HD1 ILE 2 -15.196 8.759 -4.403 21 HD12 ILE 2 1HD1 ILE 2 -14.804 8.253 -6.045 22 HD13 ILE 2 2HD1 ILE 2 -15.934 9.581 -5.778 23 HA PRO 3 HA PRO 3 -8.547 10.583 -6.229 24 HB2 PRO 3 1HB PRO 3 -8.585 9.933 -3.429 25 HB3 PRO 3 2HB PRO 3 -7.755 11.273 -4.222 26 HG2 PRO 3 1HG PRO 3 -9.875 11.562 -2.489 27 HG3 PRO 3 2HG PRO 3 -9.414 12.752 -3.719 28 HD2 PRO 3 1HD PRO 3 -11.581 10.689 -3.794 29 HD3 PRO 3 2HD PRO 3 -11.590 12.361 -4.398 30 H ASP 4 H ASP 4 -8.176 8.587 -6.980 31 HA ASP 4 HA ASP 4 -9.649 6.352 -5.754 32 HB2 ASP 4 1HB ASP 4 -10.179 6.787 -8.154 33 HB3 ASP 4 2HB ASP 4 -8.494 6.468 -8.550 34 H LEU 5 H LEU 5 -8.256 5.725 -4.209 35 HA LEU 5 HA LEU 5 -5.417 5.641 -4.677 36 HB2 LEU 5 1HB LEU 5 -7.051 4.704 -2.315 37 HB3 LEU 5 2HB LEU 5 -5.303 4.837 -2.354 38 HG LEU 5 HG LEU 5 -7.246 7.136 -2.601 39 HD11 LEU 5 1HD1 LEU 5 -6.389 7.806 -0.415 40 HD12 LEU 5 2HD1 LEU 5 -5.403 6.344 -0.351 41 HD13 LEU 5 3HD1 LEU 5 -7.163 6.222 -0.345 42 HD21 LEU 5 3HD2 LEU 5 -5.206 7.488 -3.896 43 HD22 LEU 5 1HD2 LEU 5 -4.236 7.125 -2.470 44 HD23 LEU 5 2HD2 LEU 5 -5.271 8.554 -2.493 45 H VAL 6 H VAL 6 -4.604 4.076 -5.867 46 HA VAL 6 HA VAL 6 -5.724 1.368 -5.574 47 HB VAL 6 HB VAL 6 -4.342 2.544 -7.995 48 HG11 VAL 6 1HG1 VAL 6 -5.049 0.492 -9.130 49 HG12 VAL 6 2HG1 VAL 6 -5.702 -0.121 -7.610 50 HG13 VAL 6 3HG1 VAL 6 -3.967 0.150 -7.779 51 HG21 VAL 6 3HG2 VAL 6 -6.546 3.527 -7.672 52 HG22 VAL 6 1HG2 VAL 6 -7.258 1.919 -7.536 53 HG23 VAL 6 2HG2 VAL 6 -6.547 2.442 -9.063 54 HA PRO 7 HA PRO 7 -1.497 0.385 -4.206 55 HB2 PRO 7 1HB PRO 7 -2.266 -2.111 -3.360 56 HB3 PRO 7 2HB PRO 7 -2.305 -0.671 -2.337 57 HG2 PRO 7 1HG PRO 7 -4.527 -2.010 -3.812 58 HG3 PRO 7 2HG PRO 7 -4.535 -1.263 -2.204 59 HD2 PRO 7 1HD PRO 7 -5.558 -0.038 -4.392 60 HD3 PRO 7 2HD PRO 7 -4.814 0.857 -3.053 61 H VAL 8 H VAL 8 -0.477 0.101 -6.100 62 HA VAL 8 HA VAL 8 -1.662 -1.445 -8.209 63 HB VAL 8 HB VAL 8 1.072 -0.178 -8.207 64 HG11 VAL 8 1HG1 VAL 8 -0.844 -0.854 -10.431 65 HG12 VAL 8 2HG1 VAL 8 0.650 -1.708 -10.049 66 HG13 VAL 8 3HG1 VAL 8 0.708 -0.042 -10.625 67 HG21 VAL 8 3HG2 VAL 8 -0.007 1.799 -9.183 68 HG22 VAL 8 1HG2 VAL 8 -0.545 1.490 -7.532 69 HG23 VAL 8 2HG2 VAL 8 -1.583 1.066 -8.893 70 H SER 9 H SER 9 1.461 -1.623 -6.492 71 HA SER 9 HA SER 9 1.426 -4.508 -6.776 72 HB2 SER 9 1HB SER 9 3.647 -2.831 -7.968 73 HB3 SER 9 2HB SER 9 3.641 -4.591 -7.851 74 HG SER 9 HG SER 9 1.366 -3.825 -9.007 75 H LEU 10 H LEU 10 2.984 -5.570 -5.512 76 HA LEU 10 HA LEU 10 4.224 -3.911 -3.413 77 HB2 LEU 10 1HB LEU 10 2.405 -5.167 -2.468 78 HB3 LEU 10 2HB LEU 10 2.934 -6.634 -3.267 79 HG LEU 10 HG LEU 10 4.946 -6.664 -1.829 80 HD11 LEU 10 1HD1 LEU 10 5.056 -5.219 0.123 81 HD12 LEU 10 2HD1 LEU 10 3.627 -4.346 -0.430 82 HD13 LEU 10 3HD1 LEU 10 5.120 -4.277 -1.368 83 HD21 LEU 10 3HD2 LEU 10 2.972 -7.938 -1.218 84 HD22 LEU 10 1HD2 LEU 10 2.319 -6.537 -0.366 85 HD23 LEU 10 2HD2 LEU 10 3.788 -7.319 0.218 86 H THR 11 H THR 11 6.333 -3.842 -3.848 87 HA THR 11 HA THR 11 7.616 -6.279 -4.895 88 HB THR 11 HB THR 11 9.315 -4.565 -5.847 89 HG1 THR 11 HG1 THR 11 8.047 -2.828 -4.634 90 HG21 THR 11 3HG2 THR 11 7.844 -5.947 -7.228 91 HG22 THR 11 1HG2 THR 11 7.979 -4.318 -7.890 92 HG23 THR 11 2HG2 THR 11 6.532 -4.789 -7.001 93 HA PRO 12 HA PRO 12 9.643 -6.867 -5.388 94 HB2 PRO 12 1HB PRO 12 11.239 -8.803 -4.438 95 HB3 PRO 12 2HB PRO 12 11.864 -7.199 -4.840 96 HG2 PRO 12 1HG PRO 12 11.177 -8.349 -2.167 97 HG3 PRO 12 2HG PRO 12 12.557 -7.339 -2.630 98 HD2 PRO 12 1HD PRO 12 10.296 -6.393 -1.383 99 HD3 PRO 12 2HD PRO 12 11.374 -5.403 -2.385 100 H VAL 13 H VAL 13 9.038 -9.087 -5.976 101 HA VAL 13 HA VAL 13 6.746 -9.943 -4.444 102 HB VAL 13 HB VAL 13 6.374 -11.590 -6.225 103 HG11 VAL 13 1HG1 VAL 13 5.508 -9.334 -6.504 104 HG12 VAL 13 2HG1 VAL 13 5.984 -10.014 -8.060 105 HG13 VAL 13 3HG1 VAL 13 7.020 -8.832 -7.260 106 HG21 VAL 13 3HG2 VAL 13 8.947 -10.536 -7.401 107 HG22 VAL 13 1HG2 VAL 13 7.828 -11.638 -8.203 108 HG23 VAL 13 2HG2 VAL 13 8.683 -12.154 -6.750 109 H THR 14 H THR 14 10.042 -10.897 -4.782 110 HA THR 14 HA THR 14 9.549 -13.205 -3.051 111 HB THR 14 HB THR 14 11.861 -13.873 -3.795 112 HG1 THR 14 HG1 THR 14 12.366 -11.722 -4.639 113 HG21 THR 14 3HG2 THR 14 9.875 -14.954 -4.701 114 HG22 THR 14 1HG2 THR 14 11.112 -14.788 -5.946 115 HG23 THR 14 2HG2 THR 14 9.735 -13.685 -5.919 116 H VAL 15 H VAL 15 10.441 -13.166 -1.032 117 HA VAL 15 HA VAL 15 11.908 -10.701 -0.352 118 HB VAL 15 HB VAL 15 10.925 -10.936 1.920 119 HG11 VAL 15 1HG1 VAL 15 8.949 -10.766 -0.352 120 HG12 VAL 15 2HG1 VAL 15 9.926 -9.441 0.280 121 HG13 VAL 15 3HG1 VAL 15 8.680 -10.178 1.288 122 HG21 VAL 15 3HG2 VAL 15 10.479 -13.332 1.898 123 HG22 VAL 15 1HG2 VAL 15 9.282 -13.110 0.623 124 HG23 VAL 15 2HG2 VAL 15 8.999 -12.429 2.224 125 H VAL 16 H VAL 16 13.356 -10.781 1.465 126 HA VAL 16 HA VAL 16 14.960 -13.228 1.388 127 HB VAL 16 HB VAL 16 15.656 -10.588 2.682 128 HG11 VAL 16 1HG1 VAL 16 17.000 -12.460 3.444 129 HG12 VAL 16 2HG1 VAL 16 17.966 -11.375 2.444 130 HG13 VAL 16 3HG1 VAL 16 17.372 -12.897 1.776 131 HG21 VAL 16 3HG2 VAL 16 16.914 -10.067 0.644 132 HG22 VAL 16 1HG2 VAL 16 15.186 -10.214 0.324 133 HG23 VAL 16 2HG2 VAL 16 16.278 -11.525 -0.118 134 HA PRO 17 HA PRO 17 12.807 -14.140 5.216 135 HB2 PRO 17 1HB PRO 17 14.122 -16.733 5.126 136 HB3 PRO 17 2HB PRO 17 12.415 -16.341 4.920 137 HG2 PRO 17 1HG PRO 17 13.968 -17.220 2.887 138 HG3 PRO 17 2HG PRO 17 12.608 -16.109 2.645 139 HD2 PRO 17 1HD PRO 17 15.541 -15.507 2.800 140 HD3 PRO 17 2HD PRO 17 14.316 -14.870 1.679 141 H ASN 18 H ASN 18 15.952 -13.375 5.021 142 HA ASN 18 HA ASN 18 16.469 -14.214 7.795 143 HB2 ASN 18 1HB ASN 18 18.868 -14.461 7.236 144 HB3 ASN 18 2HB ASN 18 17.847 -15.592 6.359 145 HD21 ASN 18 2HD2 ASN 18 19.944 -12.853 6.126 146 HD22 ASN 18 1HD2 ASN 18 20.081 -12.852 4.401 147 H THR 19 H THR 19 15.404 -11.706 6.690 148 HA THR 19 HA THR 19 16.945 -9.926 8.279 149 HB THR 19 HB THR 19 18.378 -10.008 6.237 150 HG1 THR 19 HG1 THR 19 18.115 -7.562 5.861 151 HG21 THR 19 3HG2 THR 19 17.587 -8.935 4.178 152 HG22 THR 19 1HG2 THR 19 15.982 -8.766 4.885 153 HG23 THR 19 2HG2 THR 19 16.639 -10.370 4.564 154 H VAL 20 H VAL 20 16.018 -7.660 8.151 155 HA VAL 20 HA VAL 20 13.146 -7.768 7.868 156 HB VAL 20 HB VAL 20 14.915 -5.394 8.509 157 HG11 VAL 20 1HG1 VAL 20 12.755 -4.708 7.628 158 HG12 VAL 20 2HG1 VAL 20 12.844 -4.370 9.358 159 HG13 VAL 20 3HG1 VAL 20 11.931 -5.765 8.777 160 HG21 VAL 20 3HG2 VAL 20 13.348 -7.204 10.339 161 HG22 VAL 20 1HG2 VAL 20 14.238 -5.762 10.827 162 HG23 VAL 20 2HG2 VAL 20 15.106 -7.158 10.185 163 H ASN 21 H ASN 21 12.028 -7.197 6.110 164 HA ASN 21 HA ASN 21 13.598 -6.190 3.842 165 HB2 ASN 21 1HB ASN 21 11.005 -7.736 3.945 166 HB3 ASN 21 2HB ASN 21 11.600 -6.977 2.475 167 HD21 ASN 21 2HD2 ASN 21 13.488 -8.623 4.961 168 HD22 ASN 21 1HD2 ASN 21 14.035 -9.906 3.943 169 H THR 22 H THR 22 13.426 -4.117 3.458 170 HA THR 22 HA THR 22 11.087 -2.614 4.245 171 HB THR 22 HB THR 22 13.365 -1.630 2.522 172 HG1 THR 22 HG1 THR 22 13.245 -1.558 5.375 173 HG21 THR 22 3HG2 THR 22 11.442 -0.151 2.683 174 HG22 THR 22 1HG2 THR 22 12.810 0.530 3.562 175 HG23 THR 22 2HG2 THR 22 11.492 -0.244 4.444 176 H MET 23 H MET 23 9.479 -3.641 3.017 177 HA MET 23 HA MET 23 9.826 -3.942 0.167 178 HB2 MET 23 1HB MET 23 7.447 -4.518 1.933 179 HB3 MET 23 2HB MET 23 7.569 -4.936 0.228 180 HG2 MET 23 1HG MET 23 9.587 -6.302 0.811 181 HG3 MET 23 2HG MET 23 9.191 -6.022 2.507 182 HE1 MET 23 3HE MET 23 8.056 -7.602 -0.870 183 HE2 MET 23 1HE MET 23 6.720 -6.510 -0.506 184 HE3 MET 23 2HE MET 23 6.469 -8.252 -0.458 185 H THR 24 H THR 24 8.706 -2.905 -1.424 186 HA THR 24 HA THR 24 7.634 -0.298 -0.605 187 HB THR 24 HB THR 24 8.768 -1.090 -3.293 188 HG1 THR 24 HG1 THR 24 9.966 0.229 -1.049 189 HG21 THR 24 3HG2 THR 24 8.876 1.334 -3.669 190 HG22 THR 24 1HG2 THR 24 8.117 1.606 -2.102 191 HG23 THR 24 2HG2 THR 24 7.221 0.796 -3.386 192 H ALA 25 H ALA 25 5.474 -0.377 -0.553 193 HA ALA 25 HA ALA 25 4.000 -1.745 -2.665 194 HB1 ALA 25 3HB ALA 25 2.006 -1.113 -1.386 195 HB2 ALA 25 1HB ALA 25 3.012 -0.188 -0.271 196 HB3 ALA 25 2HB ALA 25 3.180 -1.941 -0.365 197 H THR 26 H THR 26 3.407 -0.709 -4.451 198 HA THR 26 HA THR 26 3.886 2.155 -4.619 199 HB THR 26 HB THR 26 3.135 0.237 -6.835 200 HG1 THR 26 HG1 THR 26 5.688 1.071 -5.862 201 HG21 THR 26 3HG2 THR 26 2.753 2.597 -7.363 202 HG22 THR 26 1HG2 THR 26 4.106 1.953 -8.295 203 HG23 THR 26 2HG2 THR 26 4.409 2.977 -6.891 204 H ILE 27 H ILE 27 2.201 3.313 -3.877 205 HA ILE 27 HA ILE 27 -0.512 2.483 -4.642 206 HB ILE 27 HB ILE 27 0.160 4.707 -2.723 207 HG12 ILE 27 1HG1 ILE 27 1.261 2.722 -1.852 208 HG13 ILE 27 2HG1 ILE 27 -0.157 3.086 -0.880 209 HG21 ILE 27 1HG2 ILE 27 -2.284 2.979 -3.078 210 HG22 ILE 27 2HG2 ILE 27 -2.114 4.666 -3.561 211 HG23 ILE 27 3HG2 ILE 27 -2.085 4.231 -1.853 212 HD11 ILE 27 3HD1 ILE 27 0.115 0.695 -1.279 213 HD12 ILE 27 1HD1 ILE 27 -0.003 0.974 -3.017 214 HD13 ILE 27 2HD1 ILE 27 -1.387 1.310 -1.975 215 H GLU 28 H GLU 28 -1.324 3.420 -6.400 216 HA GLU 28 HA GLU 28 -0.362 6.111 -7.104 217 HB2 GLU 28 1HB GLU 28 -1.465 3.885 -8.815 218 HB3 GLU 28 2HB GLU 28 -1.241 5.526 -9.406 219 HG2 GLU 28 1HG GLU 28 1.135 5.385 -8.965 220 HG3 GLU 28 2HG GLU 28 0.935 3.765 -8.302 221 H ASN 29 H ASN 29 -1.765 7.752 -7.387 222 HA ASN 29 HA ASN 29 -4.553 7.271 -6.689 223 HB2 ASN 29 1HB ASN 29 -3.477 9.132 -5.560 224 HB3 ASN 29 2HB ASN 29 -3.006 9.843 -7.100 225 HD21 ASN 29 2HD2 ASN 29 -4.065 11.751 -6.618 226 HD22 ASN 29 1HD2 ASN 29 -5.792 11.892 -6.658 227 H GLN 30 H GLN 30 -5.450 6.342 -8.445 228 HA GLN 30 HA GLN 30 -5.072 7.534 -11.076 229 HB2 GLN 30 1HB GLN 30 -6.480 5.030 -10.148 230 HB3 GLN 30 2HB GLN 30 -6.505 5.585 -11.816 231 HG2 GLN 30 1HG GLN 30 -4.026 4.888 -10.254 232 HG3 GLN 30 2HG GLN 30 -4.825 3.841 -11.427 233 HE21 GLN 30 2HE2 GLN 30 -2.111 4.898 -11.447 234 HE22 GLN 30 1HE2 GLN 30 -1.954 5.808 -12.910 235 H GLY 31 H GLY 31 -6.213 9.340 -9.603 236 HA2 GLY 31 1HA GLY 31 -8.934 9.494 -10.670 237 HA3 GLY 31 2HA GLY 31 -8.701 9.737 -8.940 238 H ASN 32 H ASN 32 -9.751 11.712 -10.658 239 HA ASN 32 HA ASN 32 -7.560 13.447 -11.419 240 HB2 ASN 32 1HB ASN 32 -9.257 14.862 -12.434 241 HB3 ASN 32 2HB ASN 32 -9.485 13.188 -12.920 242 HD21 ASN 32 2HD2 ASN 32 -11.388 15.277 -13.036 243 HD22 ASN 32 1HD2 ASN 32 -12.723 14.806 -12.033 244 H LYS 33 H LYS 33 -8.918 12.873 -8.560 245 HA LYS 33 HA LYS 33 -8.502 15.653 -7.683 246 HB2 LYS 33 1HB LYS 33 -10.780 14.904 -7.197 247 HB3 LYS 33 2HB LYS 33 -10.157 13.484 -6.372 248 HG2 LYS 33 1HG LYS 33 -9.172 14.875 -4.655 249 HG3 LYS 33 2HG LYS 33 -9.694 16.330 -5.504 250 HD2 LYS 33 1HD LYS 33 -12.028 15.673 -5.196 251 HD3 LYS 33 2HD LYS 33 -11.511 14.208 -4.361 252 HE2 LYS 33 1HE LYS 33 -12.190 15.962 -2.787 253 HE3 LYS 33 2HE LYS 33 -10.486 15.546 -2.607 254 HZ1 LYS 33 3HZ LYS 33 -11.510 17.885 -4.128 255 HZ2 LYS 33 1HZ LYS 33 -9.881 17.508 -3.843 256 HZ3 LYS 33 2HZ LYS 33 -10.890 17.951 -2.556 257 H ASP 34 H ASP 34 -6.923 16.017 -6.205 258 HA ASP 34 HA ASP 34 -4.990 13.961 -5.788 259 HB2 ASP 34 1HB ASP 34 -5.168 16.698 -4.511 260 HB3 ASP 34 2HB ASP 34 -3.759 15.643 -4.490 261 H SER 35 H SER 35 -4.490 12.828 -3.956 262 HA SER 35 HA SER 35 -6.669 12.668 -2.021 263 HB2 SER 35 1HB SER 35 -5.953 10.593 -3.144 264 HB3 SER 35 2HB SER 35 -4.331 10.804 -2.488 265 HG SER 35 HG SER 35 -5.113 10.468 -0.445 266 H THR 36 H THR 36 -6.425 13.029 0.116 267 HA THR 36 HA THR 36 -4.071 14.456 0.980 268 HB THR 36 HB THR 36 -5.368 14.614 3.149 269 HG1 THR 36 HG1 THR 36 -6.767 12.894 3.031 270 HG21 THR 36 3HG2 THR 36 -5.420 16.403 1.488 271 HG22 THR 36 1HG2 THR 36 -6.995 16.224 2.263 272 HG23 THR 36 2HG2 THR 36 -6.734 15.587 0.639 273 H SER 37 H SER 37 -3.903 13.731 3.646 274 HA SER 37 HA SER 37 -2.219 11.522 3.641 275 HB2 SER 37 1HB SER 37 -2.260 13.290 5.388 276 HB3 SER 37 2HB SER 37 -3.779 12.627 5.989 277 HG SER 37 HG SER 37 -1.467 11.017 5.748 278 H PHE 38 H PHE 38 -2.510 9.400 3.768 279 HA PHE 38 HA PHE 38 -5.002 8.327 4.836 280 HB2 PHE 38 1HB PHE 38 -5.362 6.832 2.961 281 HB3 PHE 38 2HB PHE 38 -5.307 8.486 2.367 282 HD1 PHE 38 HD1 PHE 38 -3.157 9.295 1.268 283 HD2 PHE 38 HD2 PHE 38 -3.942 5.202 2.129 284 HE1 PHE 38 HE1 PHE 38 -1.426 8.621 -0.347 285 HE2 PHE 38 HE2 PHE 38 -2.217 4.533 0.518 286 HZ PHE 38 HZ PHE 38 -0.950 6.224 -0.704 287 H ASN 39 H ASN 39 -4.800 6.147 5.577 288 HA ASN 39 HA ASN 39 -2.003 5.619 6.350 289 HB2 ASN 39 1HB ASN 39 -3.717 6.171 8.108 290 HB3 ASN 39 2HB ASN 39 -4.538 4.671 7.697 291 HD21 ASN 39 2HD2 ASN 39 -4.265 3.801 9.714 292 HD22 ASN 39 1HD2 ASN 39 -2.722 3.262 10.293 293 H VAL 40 H VAL 40 -1.040 3.934 5.318 294 HA VAL 40 HA VAL 40 -2.795 1.849 4.202 295 HB VAL 40 HB VAL 40 -0.245 3.066 3.233 296 HG11 VAL 40 1HG1 VAL 40 0.259 1.129 1.829 297 HG12 VAL 40 2HG1 VAL 40 -1.022 0.209 2.618 298 HG13 VAL 40 3HG1 VAL 40 0.399 0.709 3.536 299 HG21 VAL 40 3HG2 VAL 40 -2.434 3.599 2.281 300 HG22 VAL 40 1HG2 VAL 40 -2.644 1.905 1.846 301 HG23 VAL 40 2HG2 VAL 40 -1.352 2.849 1.105 302 H SER 41 H SER 41 -2.755 -0.105 5.023 303 HA SER 41 HA SER 41 -0.603 -0.750 6.924 304 HB2 SER 41 1HB SER 41 -2.914 -0.381 7.880 305 HB3 SER 41 2HB SER 41 -3.440 -1.800 6.976 306 HG SER 41 HG SER 41 -1.520 -1.663 9.058 307 H LEU 42 H LEU 42 0.294 -2.785 6.880 308 HA LEU 42 HA LEU 42 -0.344 -4.400 4.507 309 HB2 LEU 42 1HB LEU 42 1.968 -3.547 4.674 310 HB3 LEU 42 2HB LEU 42 2.152 -4.381 6.206 311 HG LEU 42 HG LEU 42 1.799 -6.542 5.024 312 HD11 LEU 42 1HD1 LEU 42 1.963 -6.587 2.586 313 HD12 LEU 42 2HD1 LEU 42 1.941 -4.824 2.551 314 HD13 LEU 42 3HD1 LEU 42 0.528 -5.712 3.122 315 HD21 LEU 42 3HD2 LEU 42 4.002 -6.602 3.973 316 HD22 LEU 42 1HD2 LEU 42 4.047 -5.735 5.508 317 HD23 LEU 42 2HD2 LEU 42 4.061 -4.839 3.988 318 H LEU 43 H LEU 43 -1.633 -6.038 4.937 319 HA LEU 43 HA LEU 43 -1.481 -7.342 7.565 320 HB2 LEU 43 1HB LEU 43 -3.570 -7.720 5.412 321 HB3 LEU 43 2HB LEU 43 -3.643 -8.301 7.064 322 HG LEU 43 HG LEU 43 -3.488 -5.709 7.611 323 HD11 LEU 43 1HD1 LEU 43 -4.746 -4.387 5.992 324 HD12 LEU 43 2HD1 LEU 43 -4.755 -5.757 4.883 325 HD13 LEU 43 3HD1 LEU 43 -3.231 -4.982 5.312 326 HD21 LEU 43 3HD2 LEU 43 -5.925 -5.669 7.723 327 HD22 LEU 43 1HD2 LEU 43 -5.286 -7.212 8.287 328 HD23 LEU 43 2HD2 LEU 43 -6.000 -7.089 6.680 329 H VAL 44 H VAL 44 -0.621 -9.342 7.762 330 HA VAL 44 HA VAL 44 0.083 -10.711 5.231 331 HB VAL 44 HB VAL 44 1.478 -10.870 7.914 332 HG11 VAL 44 1HG1 VAL 44 3.156 -12.222 6.739 333 HG12 VAL 44 2HG1 VAL 44 2.157 -12.189 5.286 334 HG13 VAL 44 3HG1 VAL 44 1.573 -12.998 6.740 335 HG21 VAL 44 3HG2 VAL 44 3.339 -9.764 6.776 336 HG22 VAL 44 1HG2 VAL 44 1.889 -8.759 6.764 337 HG23 VAL 44 2HG2 VAL 44 2.367 -9.636 5.310 338 H ASP 45 H ASP 45 -1.413 -12.214 4.895 339 HA ASP 45 HA ASP 45 -2.807 -13.979 5.195 340 HB2 ASP 45 1HB ASP 45 -0.778 -14.436 7.347 341 HB3 ASP 45 2HB ASP 45 -2.246 -15.411 7.355 342 H GLY 46 H GLY 46 -3.149 -11.302 6.587 343 HA2 GLY 46 1HA GLY 46 -5.451 -10.801 7.302 344 HA3 GLY 46 2HA GLY 46 -5.318 -12.174 8.390 345 H ILE 47 H ILE 47 -2.480 -11.336 9.037 346 HA ILE 47 HA ILE 47 -3.323 -9.591 11.212 347 HB ILE 47 HB ILE 47 -2.170 -11.110 12.311 348 HG12 ILE 47 1HG1 ILE 47 0.126 -9.502 11.232 349 HG13 ILE 47 2HG1 ILE 47 -0.724 -9.272 12.756 350 HG21 ILE 47 1HG2 ILE 47 -1.961 -12.605 10.443 351 HG22 ILE 47 2HG2 ILE 47 -0.474 -12.612 11.391 352 HG23 ILE 47 3HG2 ILE 47 -0.545 -11.721 9.871 353 HD11 ILE 47 3HD1 ILE 47 0.188 -11.347 13.604 354 HD12 ILE 47 1HD1 ILE 47 1.483 -10.284 13.055 355 HD13 ILE 47 2HD1 ILE 47 0.982 -11.653 12.057 356 H VAL 48 H VAL 48 -2.607 -7.637 11.629 357 HA VAL 48 HA VAL 48 -1.288 -6.175 9.520 358 HB VAL 48 HB VAL 48 -2.223 -5.296 12.258 359 HG11 VAL 48 1HG1 VAL 48 -1.952 -3.004 11.435 360 HG12 VAL 48 2HG1 VAL 48 -1.237 -3.629 9.948 361 HG13 VAL 48 3HG1 VAL 48 -0.413 -3.867 11.489 362 HG21 VAL 48 3HG2 VAL 48 -4.053 -4.223 11.036 363 HG22 VAL 48 1HG2 VAL 48 -4.040 -5.968 10.780 364 HG23 VAL 48 2HG2 VAL 48 -3.432 -4.889 9.524 365 H VAL 49 H VAL 49 0.855 -6.513 9.311 366 HA VAL 49 HA VAL 49 2.507 -6.863 11.670 367 HB VAL 49 HB VAL 49 4.388 -7.153 10.068 368 HG11 VAL 49 1HG1 VAL 49 3.620 -9.315 9.191 369 HG12 VAL 49 2HG1 VAL 49 1.960 -8.871 9.584 370 HG13 VAL 49 3HG1 VAL 49 3.146 -9.073 10.873 371 HG21 VAL 49 3HG2 VAL 49 3.566 -5.759 8.240 372 HG22 VAL 49 1HG2 VAL 49 2.236 -6.887 7.968 373 HG23 VAL 49 2HG2 VAL 49 3.899 -7.399 7.681 374 H ASP 50 H ASP 50 2.053 -4.431 9.130 375 HA ASP 50 HA ASP 50 3.246 -2.432 10.834 376 HB2 ASP 50 1HB ASP 50 5.210 -3.458 9.666 377 HB3 ASP 50 2HB ASP 50 4.503 -2.959 8.134 378 H THR 51 H THR 51 2.953 -0.268 10.003 379 HA THR 51 HA THR 51 0.963 0.036 7.874 380 HB THR 51 HB THR 51 0.492 1.163 10.644 381 HG1 THR 51 HG1 THR 51 0.283 -1.110 10.735 382 HG21 THR 51 3HG2 THR 51 -0.569 2.386 8.815 383 HG22 THR 51 1HG2 THR 51 -1.774 1.552 9.796 384 HG23 THR 51 2HG2 THR 51 -1.301 0.892 8.231 385 H GLN 52 H GLN 52 1.333 1.845 6.732 386 HA GLN 52 HA GLN 52 3.120 3.875 7.914 387 HB2 GLN 52 1HB GLN 52 4.124 2.472 6.055 388 HB3 GLN 52 2HB GLN 52 2.935 3.195 4.978 389 HG2 GLN 52 1HG GLN 52 3.895 5.442 5.851 390 HG3 GLN 52 2HG GLN 52 5.270 4.454 6.336 391 HE21 GLN 52 2HE2 GLN 52 3.459 5.731 3.664 392 HE22 GLN 52 1HE2 GLN 52 4.622 5.363 2.440 393 H THR 53 H THR 53 2.228 5.836 8.085 394 HA THR 53 HA THR 53 -0.264 6.378 6.674 395 HB THR 53 HB THR 53 1.149 8.167 8.657 396 HG1 THR 53 HG1 THR 53 -0.455 5.884 9.007 397 HG21 THR 53 3HG2 THR 53 -1.738 7.999 7.775 398 HG22 THR 53 1HG2 THR 53 -0.587 9.250 7.306 399 HG23 THR 53 2HG2 THR 53 -1.093 9.104 8.989 400 H VAL 54 H VAL 54 -0.205 7.310 4.757 401 HA VAL 54 HA VAL 54 2.191 8.621 3.805 402 HB VAL 54 HB VAL 54 -0.469 8.252 2.412 403 HG11 VAL 54 1HG1 VAL 54 0.904 9.980 1.390 404 HG12 VAL 54 2HG1 VAL 54 0.816 8.558 0.350 405 HG13 VAL 54 3HG1 VAL 54 2.268 8.865 1.304 406 HG21 VAL 54 3HG2 VAL 54 0.539 6.306 1.328 407 HG22 VAL 54 1HG2 VAL 54 0.467 6.099 3.079 408 HG23 VAL 54 2HG2 VAL 54 1.995 6.514 2.303 409 H THR 55 H THR 55 2.409 10.792 3.339 410 HA THR 55 HA THR 55 0.837 12.568 4.919 411 HB THR 55 HB THR 55 2.892 13.257 2.809 412 HG1 THR 55 HG1 THR 55 4.395 13.085 4.445 413 HG21 THR 55 3HG2 THR 55 3.180 15.314 4.107 414 HG22 THR 55 1HG2 THR 55 1.903 14.800 5.210 415 HG23 THR 55 2HG2 THR 55 1.522 15.159 3.526 416 H SER 56 H SER 56 1.129 11.958 1.444 417 HA SER 56 HA SER 56 -1.502 12.778 0.857 418 HB2 SER 56 1HB SER 56 -0.542 15.025 1.310 419 HB3 SER 56 2HB SER 56 0.673 14.746 0.063 420 HG SER 56 HG SER 56 -0.936 14.760 -1.492 421 H LEU 57 H LEU 57 -2.044 12.292 -1.293 422 HA LEU 57 HA LEU 57 0.151 11.259 -2.957 423 HB2 LEU 57 1HB LEU 57 -1.007 9.360 -1.926 424 HB3 LEU 57 2HB LEU 57 -2.538 9.947 -2.547 425 HG LEU 57 HG LEU 57 -1.846 9.509 -4.823 426 HD11 LEU 57 1HD1 LEU 57 0.512 10.071 -4.611 427 HD12 LEU 57 2HD1 LEU 57 0.303 8.477 -5.335 428 HD13 LEU 57 3HD1 LEU 57 0.777 8.623 -3.642 429 HD21 LEU 57 3HD2 LEU 57 -2.830 7.651 -3.629 430 HD22 LEU 57 1HD2 LEU 57 -1.251 7.191 -2.992 431 HD23 LEU 57 2HD2 LEU 57 -1.575 7.065 -4.720 432 H GLU 58 H GLU 58 0.260 12.578 -4.606 433 HA GLU 58 HA GLU 58 -1.927 14.252 -5.360 434 HB2 GLU 58 1HB GLU 58 0.657 13.923 -6.870 435 HB3 GLU 58 2HB GLU 58 -0.380 15.341 -6.782 436 HG2 GLU 58 1HG GLU 58 1.266 14.210 -4.530 437 HG3 GLU 58 2HG GLU 58 1.651 15.642 -5.480 438 H SER 59 H SER 59 -2.628 14.494 -7.620 439 HA SER 59 HA SER 59 -3.625 12.068 -8.664 440 HB2 SER 59 1HB SER 59 -3.404 14.715 -10.112 441 HB3 SER 59 2HB SER 59 -4.554 13.415 -10.432 442 HG SER 59 HG SER 59 -4.387 14.931 -8.030 443 H GLU 60 H GLU 60 -2.854 10.695 -10.140 444 HA GLU 60 HA GLU 60 -1.507 9.683 -11.650 445 HB2 GLU 60 1HB GLU 60 -0.636 12.499 -12.307 446 HB3 GLU 60 2HB GLU 60 -0.182 11.072 -13.230 447 HG2 GLU 60 1HG GLU 60 -2.921 12.248 -12.887 448 HG3 GLU 60 2HG GLU 60 -1.975 12.110 -14.369 449 H ASN 61 H ASN 61 -0.532 10.865 -8.897 450 HA ASN 61 HA ASN 61 2.334 10.445 -9.342 451 HB2 ASN 61 1HB ASN 61 1.791 12.490 -8.145 452 HB3 ASN 61 2HB ASN 61 0.840 11.590 -6.973 453 HD21 ASN 61 2HD2 ASN 61 4.060 12.275 -8.127 454 HD22 ASN 61 1HD2 ASN 61 4.893 11.733 -6.711 455 H SER 62 H SER 62 3.483 8.916 -8.165 456 HA SER 62 HA SER 62 1.839 6.902 -6.798 457 HB2 SER 62 1HB SER 62 3.710 5.313 -7.367 458 HB3 SER 62 2HB SER 62 2.835 5.934 -8.763 459 HG SER 62 HG SER 62 5.429 6.567 -7.847 460 H THR 63 H THR 63 2.240 6.545 -4.708 461 HA THR 63 HA THR 63 4.688 7.713 -3.576 462 HB THR 63 HB THR 63 2.057 7.043 -2.244 463 HG1 THR 63 HG1 THR 63 2.619 9.110 -3.555 464 HG21 THR 63 3HG2 THR 63 4.590 8.132 -1.005 465 HG22 THR 63 1HG2 THR 63 3.914 6.528 -0.729 466 HG23 THR 63 2HG2 THR 63 3.035 7.959 -0.190 467 H ASN 64 H ASN 64 6.221 6.403 -2.919 468 HA ASN 64 HA ASN 64 5.806 3.558 -2.922 469 HB2 ASN 64 1HB ASN 64 8.236 3.459 -2.353 470 HB3 ASN 64 2HB ASN 64 7.891 4.362 -3.820 471 HD21 ASN 64 2HD2 ASN 64 9.210 4.453 -0.657 472 HD22 ASN 64 1HD2 ASN 64 9.739 6.102 -0.699 473 H VAL 65 H VAL 65 4.940 2.554 -1.289 474 HA VAL 65 HA VAL 65 5.215 3.633 1.416 475 HB VAL 65 HB VAL 65 3.542 1.286 0.514 476 HG11 VAL 65 1HG1 VAL 65 2.299 1.707 2.580 477 HG12 VAL 65 2HG1 VAL 65 3.421 3.006 2.984 478 HG13 VAL 65 3HG1 VAL 65 3.993 1.341 2.899 479 HG21 VAL 65 3HG2 VAL 65 1.639 2.859 0.531 480 HG22 VAL 65 1HG2 VAL 65 2.826 3.226 -0.721 481 HG23 VAL 65 2HG2 VAL 65 2.772 4.191 0.757 482 H ASP 66 H ASP 66 7.014 2.989 2.401 483 HA ASP 66 HA ASP 66 8.069 0.322 1.801 484 HB2 ASP 66 1HB ASP 66 9.383 2.737 3.058 485 HB3 ASP 66 2HB ASP 66 10.165 1.174 2.868 486 H PHE 67 H PHE 67 7.478 -1.200 3.144 487 HA PHE 67 HA PHE 67 6.655 -0.522 5.855 488 HB2 PHE 67 1HB PHE 67 6.479 -3.122 4.327 489 HB3 PHE 67 2HB PHE 67 5.869 -2.876 5.958 490 HD1 PHE 67 HD2 PHE 67 4.191 -0.834 6.186 491 HD2 PHE 67 HD1 PHE 67 5.029 -2.937 2.580 492 HE1 PHE 67 HE2 PHE 67 2.022 -0.120 5.265 493 HE2 PHE 67 HE1 PHE 67 2.869 -2.224 1.653 494 HZ PHE 67 HZ PHE 67 1.358 -0.817 2.997 495 H HIS 68 H HIS 68 7.344 -1.789 7.669 496 HA HIS 68 HA HIS 68 10.145 -2.699 7.397 497 HB2 HIS 68 1HB HIS 68 8.800 -1.870 9.975 498 HB3 HIS 68 2HB HIS 68 10.522 -2.024 9.651 499 HD1 HIS 68 HD1 HIS 68 11.680 -0.046 8.412 500 HD2 HIS 68 HD2 HIS 68 7.636 0.543 9.194 501 HE1 HIS 68 HE1 HIS 68 11.248 2.394 7.977 502 HE2 HIS 68 HE2 HIS 68 8.837 2.760 8.614 503 H TRP 69 H TRP 69 9.677 -4.829 6.850 504 HA TRP 69 HA TRP 69 8.174 -6.353 8.868 505 HB2 TRP 69 1HB TRP 69 6.866 -6.383 6.886 506 HB3 TRP 69 2HB TRP 69 8.273 -6.667 5.868 507 HD1 TRP 69 HD1 TRP 69 7.470 -8.735 9.012 508 HE1 TRP 69 HE1 TRP 69 7.117 -11.183 8.303 509 HE3 TRP 69 HE3 TRP 69 7.591 -8.143 3.925 510 HZ2 TRP 69 HZ2 TRP 69 6.916 -12.662 5.908 511 HZ3 TRP 69 HZ3 TRP 69 7.297 -10.125 2.508 512 HH2 TRP 69 HH2 TRP 69 6.957 -12.336 3.478 513 H THR 70 H THR 70 9.540 -7.470 10.079 514 HA THR 70 HA THR 70 11.971 -8.585 9.013 515 HB THR 70 HB THR 70 12.019 -7.896 11.325 516 HG1 THR 70 HG1 THR 70 13.105 -9.625 12.007 517 HG21 THR 70 3HG2 THR 70 9.656 -8.151 11.889 518 HG22 THR 70 1HG2 THR 70 10.674 -8.990 13.061 519 HG23 THR 70 2HG2 THR 70 9.819 -9.906 11.818 520 H LEU 71 H LEU 71 12.137 -10.465 8.014 521 HA LEU 71 HA LEU 71 9.780 -11.767 7.183 522 HB2 LEU 71 1HB LEU 71 12.471 -11.659 6.400 523 HB3 LEU 71 2HB LEU 71 12.124 -13.351 6.701 524 HG LEU 71 HG LEU 71 11.751 -12.858 4.382 525 HD11 LEU 71 1HD1 LEU 71 10.268 -14.485 5.390 526 HD12 LEU 71 2HD1 LEU 71 9.436 -13.571 4.132 527 HD13 LEU 71 3HD1 LEU 71 9.143 -13.201 5.831 528 HD21 LEU 71 3HD2 LEU 71 9.821 -10.761 5.339 529 HD22 LEU 71 1HD2 LEU 71 10.086 -11.229 3.659 530 HD23 LEU 71 2HD2 LEU 71 11.384 -10.465 4.576 531 H ASP 72 H ASP 72 12.354 -12.736 9.375 532 HA ASP 72 HA ASP 72 12.527 -14.359 10.956 533 HB2 ASP 72 1HB ASP 72 10.280 -13.874 11.739 534 HB3 ASP 72 2HB ASP 72 9.581 -14.819 10.428 535 H GLY 73 H GLY 73 10.441 -15.481 8.305 536 HA2 GLY 73 1HA GLY 73 11.054 -17.049 6.661 537 HA3 GLY 73 2HA GLY 73 12.448 -17.494 7.634 538 H THR 74 H THR 74 8.950 -17.398 8.251 539 HA THR 74 HA THR 74 9.109 -19.933 9.645 540 HB THR 74 HB THR 74 6.512 -18.580 9.027 541 HG1 THR 74 HG1 THR 74 8.623 -17.538 10.588 542 HG21 THR 74 3HG2 THR 74 5.972 -19.324 11.298 543 HG22 THR 74 1HG2 THR 74 7.616 -19.936 11.491 544 HG23 THR 74 2HG2 THR 74 6.535 -20.668 10.306 545 H ALA 75 H ALA 75 7.811 -18.637 6.648 546 HA ALA 75 HA ALA 75 7.303 -21.370 5.712 547 HB1 ALA 75 3HB ALA 75 5.159 -20.437 6.430 548 HB2 ALA 75 1HB ALA 75 5.201 -20.680 4.685 549 HB3 ALA 75 2HB ALA 75 5.396 -19.060 5.355 550 H ASN 76 H ASN 76 6.846 -21.325 3.276 551 HA ASN 76 HA ASN 76 9.098 -20.027 2.041 552 HB2 ASN 76 1HB ASN 76 8.543 -21.300 0.069 553 HB3 ASN 76 2HB ASN 76 8.395 -22.353 1.470 554 HD21 ASN 76 2HD2 ASN 76 7.196 -22.467 -1.221 555 HD22 ASN 76 1HD2 ASN 76 5.484 -22.574 -0.965 556 H SER 77 H SER 77 5.848 -19.203 2.515 557 HA SER 77 HA SER 77 6.112 -16.903 0.791 558 HB2 SER 77 1HB SER 77 3.905 -18.923 0.317 559 HB3 SER 77 2HB SER 77 4.068 -17.362 -0.489 560 HG SER 77 HG SER 77 6.366 -18.712 -0.714 561 H TYR 78 H TYR 78 4.705 -15.246 1.307 562 HA TYR 78 HA TYR 78 2.896 -15.712 3.596 563 HB2 TYR 78 1HB TYR 78 4.787 -13.402 3.133 564 HB3 TYR 78 2HB TYR 78 3.490 -13.362 4.318 565 HD1 TYR 78 HD1 TYR 78 6.514 -15.354 3.383 566 HD2 TYR 78 HD2 TYR 78 3.905 -14.056 6.481 567 HE1 TYR 78 HE1 TYR 78 8.017 -16.342 5.056 568 HE2 TYR 78 HE2 TYR 78 5.399 -15.043 8.160 569 HH TYR 78 HH TYR 78 7.142 -16.491 8.459 570 H THR 79 H THR 79 0.921 -14.617 3.539 571 HA THR 79 HA THR 79 0.212 -13.548 0.915 572 HB THR 79 HB THR 79 -1.654 -13.906 3.257 573 HG1 THR 79 HG1 THR 79 -0.849 -15.930 3.002 574 HG21 THR 79 3HG2 THR 79 -2.085 -13.930 0.267 575 HG22 THR 79 1HG2 THR 79 -2.512 -12.618 1.366 576 HG23 THR 79 2HG2 THR 79 -3.335 -14.173 1.487 577 H LEU 80 H LEU 80 1.137 -11.488 0.893 578 HA LEU 80 HA LEU 80 0.577 -9.701 3.120 579 HB2 LEU 80 1HB LEU 80 2.478 -9.686 0.840 580 HB3 LEU 80 2HB LEU 80 1.986 -8.138 1.499 581 HG LEU 80 HG LEU 80 2.791 -8.859 3.727 582 HD11 LEU 80 1HD1 LEU 80 3.806 -11.272 2.238 583 HD12 LEU 80 2HD1 LEU 80 2.556 -11.261 3.481 584 HD13 LEU 80 3HD1 LEU 80 4.218 -10.840 3.898 585 HD21 LEU 80 3HD2 LEU 80 4.216 -7.549 2.271 586 HD22 LEU 80 1HD2 LEU 80 4.810 -9.019 1.500 587 HD23 LEU 80 2HD2 LEU 80 5.172 -8.705 3.197 588 H THR 81 H THR 81 -1.162 -8.526 3.124 589 HA THR 81 HA THR 81 -2.329 -7.693 0.552 590 HB THR 81 HB THR 81 -3.744 -8.066 3.204 591 HG1 THR 81 HG1 THR 81 -3.367 -10.094 2.464 592 HG21 THR 81 3HG2 THR 81 -4.805 -6.368 1.808 593 HG22 THR 81 1HG2 THR 81 -5.796 -7.827 1.863 594 HG23 THR 81 2HG2 THR 81 -4.815 -7.481 0.438 595 H VAL 82 H VAL 82 -2.059 -5.635 0.127 596 HA VAL 82 HA VAL 82 -1.553 -3.702 2.242 597 HB VAL 82 HB VAL 82 -1.719 -3.283 -0.747 598 HG11 VAL 82 1HG1 VAL 82 -0.548 -1.181 -0.301 599 HG12 VAL 82 2HG1 VAL 82 -0.624 -1.508 1.429 600 HG13 VAL 82 3HG1 VAL 82 -2.110 -1.239 0.517 601 HG21 VAL 82 3HG2 VAL 82 0.693 -3.673 1.016 602 HG22 VAL 82 1HG2 VAL 82 0.733 -3.245 -0.693 603 HG23 VAL 82 2HG2 VAL 82 0.089 -4.808 -0.190 604 H ASN 83 H ASN 83 -3.345 -3.079 3.322 605 HA ASN 83 HA ASN 83 -5.761 -2.537 1.739 606 HB2 ASN 83 1HB ASN 83 -6.016 -3.971 3.770 607 HB3 ASN 83 2HB ASN 83 -5.490 -2.606 4.754 608 HD21 ASN 83 2HD2 ASN 83 -6.863 -0.831 5.001 609 HD22 ASN 83 1HD2 ASN 83 -8.544 -0.900 4.591 610 H VAL 84 H VAL 84 -5.872 -0.559 0.989 611 HA VAL 84 HA VAL 84 -4.391 1.582 2.179 612 HB VAL 84 HB VAL 84 -6.338 1.542 -0.126 613 HG11 VAL 84 1HG1 VAL 84 -4.585 3.795 0.850 614 HG12 VAL 84 2HG1 VAL 84 -6.347 3.746 0.921 615 HG13 VAL 84 3HG1 VAL 84 -5.528 3.797 -0.641 616 HG21 VAL 84 3HG2 VAL 84 -4.206 0.332 -0.438 617 HG22 VAL 84 1HG2 VAL 84 -3.332 1.813 -0.041 618 HG23 VAL 84 2HG2 VAL 84 -4.339 1.745 -1.489 619 H ASP 85 H ASP 85 -4.989 2.451 3.946 620 HA ASP 85 HA ASP 85 -6.120 3.436 5.603 621 HB2 ASP 85 1HB ASP 85 -6.665 4.917 3.502 622 HB3 ASP 85 2HB ASP 85 -8.301 4.316 3.771 623 HA PRO 86 HA PRO 86 -8.794 -0.135 6.434 624 HB2 PRO 86 1HB PRO 86 -8.215 0.789 9.192 625 HB3 PRO 86 2HB PRO 86 -8.043 -0.819 8.483 626 HG2 PRO 86 1HG PRO 86 -5.900 0.676 9.003 627 HG3 PRO 86 2HG PRO 86 -5.978 -0.329 7.543 628 HD2 PRO 86 1HD PRO 86 -6.379 2.624 7.836 629 HD3 PRO 86 2HD PRO 86 -5.527 1.724 6.563 630 H GLU 87 H GLU 87 -9.009 3.159 7.550 631 HA GLU 87 HA GLU 87 -11.720 2.786 8.565 632 HB2 GLU 87 1HB GLU 87 -10.112 5.341 8.380 633 HB3 GLU 87 2HB GLU 87 -11.559 5.069 9.338 634 HG2 GLU 87 1HG GLU 87 -8.894 3.743 9.777 635 HG3 GLU 87 2HG GLU 87 -9.532 5.101 10.700 636 H ASN 88 H ASN 88 -10.114 3.589 5.711 637 HA ASN 88 HA ASN 88 -10.567 4.714 3.803 638 HB2 ASN 88 1HB ASN 88 -13.385 3.844 4.483 639 HB3 ASN 88 2HB ASN 88 -12.901 4.523 2.934 640 HD21 ASN 88 2HD2 ASN 88 -11.373 3.342 1.647 641 HD22 ASN 88 1HD2 ASN 88 -11.282 1.616 1.807 642 H ALA 89 H ALA 89 -10.018 6.446 5.597 643 HA ALA 89 HA ALA 89 -11.987 8.272 6.430 644 HB1 ALA 89 3HB ALA 89 -10.130 9.785 6.889 645 HB2 ALA 89 1HB ALA 89 -9.053 8.772 5.926 646 HB3 ALA 89 2HB ALA 89 -9.751 8.146 7.420 647 H VAL 90 H VAL 90 -9.978 8.156 3.544 648 HA VAL 90 HA VAL 90 -11.082 10.619 2.499 649 HB VAL 90 HB VAL 90 -9.334 8.581 1.100 650 HG11 VAL 90 1HG1 VAL 90 -9.902 11.473 0.459 651 HG12 VAL 90 2HG1 VAL 90 -10.483 10.072 -0.440 652 HG13 VAL 90 3HG1 VAL 90 -8.758 10.437 -0.395 653 HG21 VAL 90 3HG2 VAL 90 -7.451 10.054 1.650 654 HG22 VAL 90 1HG2 VAL 90 -8.220 9.404 3.099 655 HG23 VAL 90 2HG2 VAL 90 -8.532 11.069 2.606 656 H ASN 91 H ASN 91 -12.687 10.781 0.985 657 HA ASN 91 HA ASN 91 -14.298 8.474 0.431 658 HB2 ASN 91 1HB ASN 91 -15.245 10.776 0.664 659 HB3 ASN 91 2HB ASN 91 -14.452 11.215 -0.845 660 HD21 ASN 91 2HD2 ASN 91 -16.402 11.684 -1.833 661 HD22 ASN 91 1HD2 ASN 91 -17.518 10.457 -2.328 662 H GLU 92 H GLU 92 -13.218 6.985 -0.732 663 HA GLU 92 HA GLU 92 -11.617 7.799 -3.025 664 HB2 GLU 92 1HB GLU 92 -11.967 5.053 -1.823 665 HB3 GLU 92 2HB GLU 92 -10.717 5.567 -2.948 666 HG2 GLU 92 1HG GLU 92 -9.626 6.849 -1.329 667 HG3 GLU 92 2HG GLU 92 -11.021 6.835 -0.252 668 H GLY 93 H GLY 93 -11.661 6.097 -4.857 669 HA2 GLY 93 1HA GLY 93 -14.081 6.156 -6.238 670 HA3 GLY 93 2HA GLY 93 -12.735 5.091 -6.602 671 H ASN 94 H ASN 94 -12.869 2.961 -6.103 672 HA ASN 94 HA ASN 94 -15.335 2.093 -4.739 673 HB2 ASN 94 1HB ASN 94 -15.302 1.571 -7.165 674 HB3 ASN 94 2HB ASN 94 -13.833 0.630 -6.924 675 HD21 ASN 94 2HD2 ASN 94 -14.932 -1.181 -7.765 676 HD22 ASN 94 1HD2 ASN 94 -16.048 -2.076 -6.784 677 H GLU 95 H GLU 95 -15.191 0.331 -3.311 678 HA GLU 95 HA GLU 95 -12.712 0.318 -1.875 679 HB2 GLU 95 1HB GLU 95 -15.224 -1.288 -1.387 680 HB3 GLU 95 2HB GLU 95 -13.892 -1.083 -0.256 681 HG2 GLU 95 1HG GLU 95 -14.340 1.343 -0.221 682 HG3 GLU 95 2HG GLU 95 -15.725 1.075 -1.277 683 H SER 96 H SER 96 -13.934 -1.541 -4.400 684 HA SER 96 HA SER 96 -12.902 -4.087 -3.715 685 HB2 SER 96 1HB SER 96 -13.475 -2.989 -6.474 686 HB3 SER 96 2HB SER 96 -13.367 -4.689 -6.018 687 HG SER 96 HG SER 96 -15.537 -4.045 -6.104 688 H ASN 97 H ASN 97 -11.299 -1.239 -4.594 689 HA ASN 97 HA ASN 97 -8.947 -2.823 -5.392 690 HB2 ASN 97 1HB ASN 97 -8.092 -0.759 -6.517 691 HB3 ASN 97 2HB ASN 97 -9.537 -1.439 -7.252 692 HD21 ASN 97 2HD2 ASN 97 -8.245 1.209 -5.372 693 HD22 ASN 97 1HD2 ASN 97 -9.588 2.272 -5.611 694 H ASN 98 H ASN 98 -10.134 -1.559 -2.748 695 HA ASN 98 HA ASN 98 -7.939 0.053 -1.838 696 HB2 ASN 98 1HB ASN 98 -10.355 -1.137 -0.526 697 HB3 ASN 98 2HB ASN 98 -9.042 -0.519 0.472 698 HD21 ASN 98 2HD2 ASN 98 -8.666 1.661 0.570 699 HD22 ASN 98 1HD2 ASN 98 -9.751 2.842 -0.084 700 H THR 99 H THR 99 -8.702 -3.322 -1.881 701 HA THR 99 HA THR 99 -6.434 -3.913 -0.121 702 HB THR 99 HB THR 99 -7.500 -6.332 -0.537 703 HG1 THR 99 HG1 THR 99 -9.550 -6.257 -1.134 704 HG21 THR 99 3HG2 THR 99 -8.582 -4.286 1.402 705 HG22 THR 99 1HG2 THR 99 -7.154 -5.292 1.643 706 HG23 THR 99 2HG2 THR 99 -8.751 -6.035 1.553 707 H LEU 100 H LEU 100 -4.578 -4.430 -1.017 708 HA LEU 100 HA LEU 100 -4.570 -5.763 -3.644 709 HB2 LEU 100 1HB LEU 100 -3.276 -3.711 -3.636 710 HB3 LEU 100 2HB LEU 100 -2.398 -4.233 -2.210 711 HG LEU 100 HG LEU 100 -1.510 -6.154 -3.600 712 HD11 LEU 100 1HD1 LEU 100 -3.167 -6.097 -5.378 713 HD12 LEU 100 2HD1 LEU 100 -1.541 -5.873 -6.026 714 HD13 LEU 100 3HD1 LEU 100 -2.620 -4.489 -5.853 715 HD21 LEU 100 3HD2 LEU 100 -0.155 -4.231 -3.032 716 HD22 LEU 100 1HD2 LEU 100 -0.807 -3.339 -4.406 717 HD23 LEU 100 2HD2 LEU 100 0.195 -4.765 -4.677 718 H THR 101 H THR 101 -4.760 -7.887 -3.156 719 HA THR 101 HA THR 101 -3.201 -9.026 -0.987 720 HB THR 101 HB THR 101 -5.035 -10.410 -2.957 721 HG1 THR 101 HG1 THR 101 -5.581 -9.653 -0.264 722 HG21 THR 101 3HG2 THR 101 -3.437 -11.925 -1.873 723 HG22 THR 101 1HG2 THR 101 -5.079 -12.211 -1.295 724 HG23 THR 101 2HG2 THR 101 -3.934 -11.319 -0.293 725 H ALA 102 H ALA 102 -1.091 -8.999 -1.535 726 HA ALA 102 HA ALA 102 -0.318 -10.376 -4.021 727 HB1 ALA 102 3HB ALA 102 1.782 -9.133 -3.923 728 HB2 ALA 102 1HB ALA 102 1.250 -8.337 -2.441 729 HB3 ALA 102 2HB ALA 102 0.400 -8.037 -3.958 730 H LEU 103 H LEU 103 0.145 -12.422 -3.543 731 HA LEU 103 HA LEU 103 1.161 -13.120 -0.921 732 HB2 LEU 103 1HB LEU 103 -0.576 -14.429 -2.344 733 HB3 LEU 103 2HB LEU 103 0.820 -15.032 -3.215 734 HG LEU 103 HG LEU 103 0.534 -15.334 -0.228 735 HD11 LEU 103 1HD1 LEU 103 -0.297 -17.271 -2.382 736 HD12 LEU 103 2HD1 LEU 103 -1.378 -16.402 -1.292 737 HD13 LEU 103 3HD1 LEU 103 -0.257 -17.604 -0.650 738 HD21 LEU 103 3HD2 LEU 103 2.196 -16.779 -2.287 739 HD22 LEU 103 1HD2 LEU 103 2.132 -17.154 -0.566 740 HD23 LEU 103 2HD2 LEU 103 2.783 -15.606 -1.108 741 H VAL 104 H VAL 104 3.238 -12.741 -0.588 742 HA VAL 104 HA VAL 104 5.092 -12.743 -2.828 743 HB VAL 104 HB VAL 104 6.678 -11.674 -1.335 744 HG11 VAL 104 1HG1 VAL 104 3.902 -10.521 -1.174 745 HG12 VAL 104 2HG1 VAL 104 5.137 -10.188 -2.390 746 HG13 VAL 104 3HG1 VAL 104 5.364 -9.646 -0.725 747 HG21 VAL 104 3HG2 VAL 104 6.272 -12.798 0.742 748 HG22 VAL 104 1HG2 VAL 104 4.629 -12.159 0.820 749 HG23 VAL 104 2HG2 VAL 104 6.006 -11.070 0.986 750 H GLY 105 H GLY 105 6.916 -14.007 -2.962 751 HA2 GLY 105 1HA GLY 105 6.856 -16.408 -1.249 752 HA3 GLY 105 2HA GLY 105 7.473 -16.362 -2.896 753 H THR 106 H THR 106 9.194 -17.478 -1.366 754 HA THR 106 HA THR 106 10.911 -15.547 -0.075 755 HB THR 106 HB THR 106 12.427 -17.551 0.247 756 HG1 THR 106 HG1 THR 106 10.444 -18.670 -1.344 757 HG21 THR 106 3HG2 THR 106 10.945 -18.560 1.959 758 HG22 THR 106 1HG2 THR 106 9.584 -17.669 1.271 759 HG23 THR 106 2HG2 THR 106 10.935 -16.797 2.000 760 H LEU 107 H LEU 107 13.093 -15.162 -0.675 761 HA LEU 107 HA LEU 107 13.483 -14.349 -3.264 762 HB2 LEU 107 1HB LEU 107 14.803 -13.747 -1.193 763 HB3 LEU 107 2HB LEU 107 15.697 -15.235 -1.426 764 HG LEU 107 HG LEU 107 16.542 -14.431 -3.567 765 HD11 LEU 107 1HD1 LEU 107 14.973 -11.924 -2.970 766 HD12 LEU 107 2HD1 LEU 107 14.625 -13.086 -4.249 767 HD13 LEU 107 3HD1 LEU 107 16.111 -12.139 -4.300 768 HD21 LEU 107 3HD2 LEU 107 17.802 -13.910 -1.549 769 HD22 LEU 107 1HD2 LEU 107 16.873 -12.426 -1.338 770 HD23 LEU 107 2HD2 LEU 107 17.944 -12.606 -2.728 771 H GLU 108 H GLU 108 13.882 -15.318 -5.121 772 HA GLU 108 HA GLU 108 13.872 -18.133 -5.297 773 HB2 GLU 108 1HB GLU 108 14.528 -17.508 -7.803 774 HB3 GLU 108 2HB GLU 108 12.900 -17.327 -7.175 775 HG2 GLU 108 1HG GLU 108 13.440 -15.394 -8.446 776 HG3 GLU 108 2HG GLU 108 13.391 -14.925 -6.755 777 H HIS 109 H HIS 109 16.435 -15.756 -5.559 778 HA HIS 109 HA HIS 109 18.341 -17.989 -5.263 779 HB2 HIS 109 1HB HIS 109 18.724 -15.409 -6.805 780 HB3 HIS 109 2HB HIS 109 20.032 -16.515 -6.404 781 HD1 HIS 109 HD1 HIS 109 17.105 -16.098 -8.693 782 HD2 HIS 109 HD2 HIS 109 20.090 -18.893 -7.906 783 HE1 HIS 109 HE1 HIS 109 17.075 -17.696 -10.631 784 HE2 HIS 109 HE2 HIS 109 18.806 -19.444 -10.087 785 H HIS 110 H HIS 110 18.983 -17.965 -3.227 786 HA HIS 110 HA HIS 110 18.456 -15.958 -1.388 787 HB2 HIS 110 1HB HIS 110 19.022 -18.375 -0.914 788 HB3 HIS 110 2HB HIS 110 20.713 -17.951 -1.150 789 HD1 HIS 110 HD1 HIS 110 21.902 -17.462 0.951 790 HD2 HIS 110 HD2 HIS 110 17.841 -16.609 1.237 791 HE1 HIS 110 HE1 HIS 110 21.532 -16.699 3.320 792 HE2 HIS 110 HE2 HIS 110 19.098 -16.055 3.429 793 H HIS 111 H HIS 111 21.306 -16.465 -3.359 794 HA HIS 111 HA HIS 111 21.992 -13.680 -2.838 795 HB2 HIS 111 1HB HIS 111 23.754 -16.012 -2.370 796 HB3 HIS 111 2HB HIS 111 24.484 -14.656 -3.227 797 HD1 HIS 111 HD1 HIS 111 25.170 -15.580 -0.245 798 HD2 HIS 111 HD2 HIS 111 22.764 -12.383 -1.376 799 HE1 HIS 111 HE1 HIS 111 25.189 -13.990 1.703 800 HE2 HIS 111 HE2 HIS 111 23.892 -11.974 0.912 801 H HIS 112 H HIS 112 21.955 -12.621 -4.654 802 HA HIS 112 HA HIS 112 21.857 -14.003 -7.175 803 HB2 HIS 112 1HB HIS 112 21.654 -11.119 -6.346 804 HB3 HIS 112 2HB HIS 112 21.833 -11.549 -8.044 805 HD1 HIS 112 HD1 HIS 112 19.621 -11.356 -9.107 806 HD2 HIS 112 HD2 HIS 112 19.360 -13.034 -5.309 807 HE1 HIS 112 HE1 HIS 112 17.199 -11.959 -8.794 808 HE2 HIS 112 HE2 HIS 112 17.109 -13.174 -6.589 809 H HIS 113 H HIS 113 23.570 -14.623 -8.247 810 HA HIS 113 HA HIS 113 26.195 -13.648 -7.534 811 HB2 HIS 113 1HB HIS 113 25.280 -15.709 -9.551 812 HB3 HIS 113 2HB HIS 113 26.969 -15.321 -9.236 813 HD1 HIS 113 HD1 HIS 113 24.127 -17.303 -7.953 814 HD2 HIS 113 HD2 HIS 113 27.867 -16.064 -6.610 815 HE1 HIS 113 HE1 HIS 113 24.643 -18.734 -5.955 816 HE2 HIS 113 HE2 HIS 113 26.805 -17.827 -5.039 817 H HIS 114 H HIS 114 23.787 -12.850 -9.734 818 HA HIS 114 HA HIS 114 25.680 -11.180 -11.242 819 HB2 HIS 114 1HB HIS 114 24.319 -12.700 -12.648 820 HB3 HIS 114 2HB HIS 114 22.855 -11.988 -11.982 821 HD1 HIS 114 HD1 HIS 114 25.688 -11.258 -14.332 822 HD2 HIS 114 HD2 HIS 114 22.108 -9.541 -13.098 823 HE1 HIS 114 HE1 HIS 114 25.231 -9.396 -15.959 824 HE2 HIS 114 HE2 HIS 114 22.971 -8.496 -15.303 Start of MODEL 12 1 H1 MET 1 1H MET 1 -12.121 15.487 -8.258 2 H2 MET 1 2H MET 1 -13.255 15.868 -9.452 3 H3 MET 1 3H MET 1 -12.825 14.250 -9.181 4 HA MET 1 HA MET 1 -14.208 16.008 -7.256 5 HB2 MET 1 1HB MET 1 -15.226 13.786 -9.019 6 HB3 MET 1 2HB MET 1 -16.118 14.398 -7.632 7 HG2 MET 1 1HG MET 1 -16.127 16.631 -8.652 8 HG3 MET 1 2HG MET 1 -15.297 15.971 -10.060 9 HE1 MET 1 3HE MET 1 -16.693 13.111 -10.326 10 HE2 MET 1 1HE MET 1 -16.378 14.168 -11.702 11 HE3 MET 1 2HE MET 1 -17.985 13.480 -11.469 12 H ILE 2 H ILE 2 -13.702 12.560 -7.986 13 HA ILE 2 HA ILE 2 -13.202 12.207 -5.103 14 HB ILE 2 HB ILE 2 -15.262 11.065 -6.286 15 HG12 ILE 2 1HG1 ILE 2 -13.441 9.461 -4.482 16 HG13 ILE 2 2HG1 ILE 2 -14.504 10.753 -3.933 17 HG21 ILE 2 1HG2 ILE 2 -14.804 8.820 -7.108 18 HG22 ILE 2 2HG2 ILE 2 -13.072 9.077 -6.895 19 HG23 ILE 2 3HG2 ILE 2 -13.965 10.021 -8.092 20 HD11 ILE 2 3HD1 ILE 2 -15.484 8.575 -3.522 21 HD12 ILE 2 1HD1 ILE 2 -15.373 8.187 -5.240 22 HD13 ILE 2 2HD1 ILE 2 -16.441 9.482 -4.696 23 HA PRO 3 HA PRO 3 -9.262 10.490 -6.421 24 HB2 PRO 3 1HB PRO 3 -8.778 9.608 -3.730 25 HB3 PRO 3 2HB PRO 3 -8.083 11.006 -4.555 26 HG2 PRO 3 1HG PRO 3 -9.817 11.166 -2.427 27 HG3 PRO 3 2HG PRO 3 -9.584 12.450 -3.625 28 HD2 PRO 3 1HD PRO 3 -11.759 10.400 -3.442 29 HD3 PRO 3 2HD PRO 3 -11.862 12.120 -3.883 30 H ASP 4 H ASP 4 -8.329 8.401 -6.651 31 HA ASP 4 HA ASP 4 -9.751 6.170 -5.413 32 HB2 ASP 4 1HB ASP 4 -10.573 6.513 -7.794 33 HB3 ASP 4 2HB ASP 4 -8.938 6.134 -8.327 34 H LEU 5 H LEU 5 -8.221 5.260 -4.207 35 HA LEU 5 HA LEU 5 -5.442 5.573 -5.079 36 HB2 LEU 5 1HB LEU 5 -6.527 4.785 -2.371 37 HB3 LEU 5 2HB LEU 5 -4.855 5.146 -2.755 38 HG LEU 5 HG LEU 5 -7.124 7.135 -2.885 39 HD11 LEU 5 1HD1 LEU 5 -6.092 8.129 -0.906 40 HD12 LEU 5 2HD1 LEU 5 -4.923 6.809 -0.851 41 HD13 LEU 5 3HD1 LEU 5 -6.636 6.481 -0.592 42 HD21 LEU 5 3HD2 LEU 5 -5.334 7.599 -4.477 43 HD22 LEU 5 1HD2 LEU 5 -4.150 7.497 -3.175 44 HD23 LEU 5 2HD2 LEU 5 -5.353 8.785 -3.170 45 H VAL 6 H VAL 6 -4.311 3.898 -5.736 46 HA VAL 6 HA VAL 6 -5.421 1.204 -5.263 47 HB VAL 6 HB VAL 6 -3.892 1.911 -7.747 48 HG11 VAL 6 1HG1 VAL 6 -4.285 -0.434 -7.281 49 HG12 VAL 6 2HG1 VAL 6 -5.183 0.072 -8.712 50 HG13 VAL 6 3HG1 VAL 6 -6.021 -0.143 -7.175 51 HG21 VAL 6 3HG2 VAL 6 -6.861 2.319 -7.397 52 HG22 VAL 6 1HG2 VAL 6 -5.992 2.392 -8.928 53 HG23 VAL 6 2HG2 VAL 6 -5.661 3.580 -7.664 54 HA PRO 7 HA PRO 7 -1.060 0.294 -4.488 55 HB2 PRO 7 1HB PRO 7 -1.634 -2.298 -3.607 56 HB3 PRO 7 2HB PRO 7 -1.504 -0.868 -2.582 57 HG2 PRO 7 1HG PRO 7 -3.836 -2.385 -3.089 58 HG3 PRO 7 2HG PRO 7 -3.739 -0.833 -2.244 59 HD2 PRO 7 1HD PRO 7 -4.484 -1.415 -5.066 60 HD3 PRO 7 2HD PRO 7 -5.036 -0.108 -3.992 61 H VAL 8 H VAL 8 -0.386 0.206 -6.621 62 HA VAL 8 HA VAL 8 -1.498 -1.793 -8.387 63 HB VAL 8 HB VAL 8 -0.159 -0.688 -10.152 64 HG11 VAL 8 1HG1 VAL 8 -1.821 1.166 -8.448 65 HG12 VAL 8 2HG1 VAL 8 -2.424 0.065 -9.687 66 HG13 VAL 8 3HG1 VAL 8 -1.402 1.429 -10.141 67 HG21 VAL 8 3HG2 VAL 8 1.002 1.413 -9.635 68 HG22 VAL 8 1HG2 VAL 8 1.734 0.040 -8.806 69 HG23 VAL 8 2HG2 VAL 8 0.695 1.153 -7.918 70 H SER 9 H SER 9 1.185 -1.667 -6.336 71 HA SER 9 HA SER 9 2.246 -4.083 -7.432 72 HB2 SER 9 1HB SER 9 3.191 -2.426 -8.993 73 HB3 SER 9 2HB SER 9 3.940 -1.586 -7.638 74 HG SER 9 HG SER 9 5.542 -2.875 -8.107 75 H LEU 10 H LEU 10 3.502 -5.175 -6.032 76 HA LEU 10 HA LEU 10 4.401 -3.818 -3.587 77 HB2 LEU 10 1HB LEU 10 2.456 -5.156 -3.025 78 HB3 LEU 10 2HB LEU 10 3.133 -6.548 -3.848 79 HG LEU 10 HG LEU 10 4.934 -6.656 -2.160 80 HD11 LEU 10 1HD1 LEU 10 3.392 -4.449 -0.801 81 HD12 LEU 10 2HD1 LEU 10 5.003 -4.312 -1.507 82 HD13 LEU 10 3HD1 LEU 10 4.741 -5.350 -0.105 83 HD21 LEU 10 3HD2 LEU 10 3.545 -7.485 -0.339 84 HD22 LEU 10 1HD2 LEU 10 2.907 -7.986 -1.904 85 HD23 LEU 10 2HD2 LEU 10 2.142 -6.662 -1.023 86 H THR 11 H THR 11 6.521 -4.082 -3.220 87 HA THR 11 HA THR 11 7.913 -6.340 -4.471 88 HB THR 11 HB THR 11 9.789 -4.607 -4.989 89 HG1 THR 11 HG1 THR 11 7.686 -3.013 -4.248 90 HG21 THR 11 3HG2 THR 11 8.859 -4.210 -7.226 91 HG22 THR 11 1HG2 THR 11 7.271 -4.720 -6.655 92 HG23 THR 11 2HG2 THR 11 8.603 -5.876 -6.706 93 HA PRO 12 HA PRO 12 9.930 -7.039 -4.607 94 HB2 PRO 12 1HB PRO 12 11.324 -9.030 -3.479 95 HB3 PRO 12 2HB PRO 12 12.037 -7.432 -3.735 96 HG2 PRO 12 1HG PRO 12 10.911 -8.625 -1.229 97 HG3 PRO 12 2HG PRO 12 12.378 -7.653 -1.445 98 HD2 PRO 12 1HD PRO 12 9.985 -6.654 -0.541 99 HD3 PRO 12 2HD PRO 12 11.229 -5.684 -1.349 100 H VAL 13 H VAL 13 9.313 -9.170 -5.358 101 HA VAL 13 HA VAL 13 6.933 -10.165 -4.041 102 HB VAL 13 HB VAL 13 6.741 -11.675 -6.012 103 HG11 VAL 13 1HG1 VAL 13 6.232 -9.909 -7.635 104 HG12 VAL 13 2HG1 VAL 13 7.130 -8.752 -6.652 105 HG13 VAL 13 3HG1 VAL 13 5.660 -9.493 -6.019 106 HG21 VAL 13 3HG2 VAL 13 9.103 -11.931 -6.536 107 HG22 VAL 13 1HG2 VAL 13 9.211 -10.222 -6.957 108 HG23 VAL 13 2HG2 VAL 13 8.226 -11.311 -7.934 109 H THR 14 H THR 14 10.240 -10.894 -4.152 110 HA THR 14 HA THR 14 9.740 -13.317 -2.577 111 HB THR 14 HB THR 14 12.236 -13.736 -3.628 112 HG1 THR 14 HG1 THR 14 11.041 -13.378 -6.023 113 HG21 THR 14 3HG2 THR 14 9.628 -14.754 -4.757 114 HG22 THR 14 1HG2 THR 14 10.478 -15.423 -3.363 115 HG23 THR 14 2HG2 THR 14 11.213 -15.504 -4.962 116 H VAL 15 H VAL 15 10.659 -13.226 -0.604 117 HA VAL 15 HA VAL 15 12.557 -11.019 -0.121 118 HB VAL 15 HB VAL 15 11.657 -10.994 2.211 119 HG11 VAL 15 1HG1 VAL 15 10.881 -9.376 0.563 120 HG12 VAL 15 2HG1 VAL 15 9.568 -9.838 1.647 121 HG13 VAL 15 3HG1 VAL 15 9.643 -10.507 0.017 122 HG21 VAL 15 3HG2 VAL 15 9.571 -12.844 1.052 123 HG22 VAL 15 1HG2 VAL 15 9.499 -12.083 2.641 124 HG23 VAL 15 2HG2 VAL 15 10.763 -13.261 2.284 125 H VAL 16 H VAL 16 14.269 -11.364 1.356 126 HA VAL 16 HA VAL 16 15.035 -14.138 1.648 127 HB VAL 16 HB VAL 16 17.135 -13.130 2.637 128 HG11 VAL 16 1HG1 VAL 16 17.038 -13.930 0.346 129 HG12 VAL 16 2HG1 VAL 16 18.027 -12.474 0.444 130 HG13 VAL 16 3HG1 VAL 16 16.381 -12.382 -0.182 131 HG21 VAL 16 3HG2 VAL 16 17.587 -10.772 2.149 132 HG22 VAL 16 1HG2 VAL 16 16.247 -10.957 3.280 133 HG23 VAL 16 2HG2 VAL 16 15.927 -10.578 1.587 134 HA PRO 17 HA PRO 17 13.299 -14.198 5.749 135 HB2 PRO 17 1HB PRO 17 14.659 -16.796 5.960 136 HB3 PRO 17 2HB PRO 17 12.937 -16.421 6.053 137 HG2 PRO 17 1HG PRO 17 13.982 -17.694 3.937 138 HG3 PRO 17 2HG PRO 17 12.650 -16.532 3.765 139 HD2 PRO 17 1HD PRO 17 15.580 -16.145 3.250 140 HD3 PRO 17 2HD PRO 17 14.186 -15.610 2.284 141 H ASN 18 H ASN 18 14.087 -14.657 7.966 142 HA ASN 18 HA ASN 18 15.552 -14.589 9.695 143 HB2 ASN 18 1HB ASN 18 17.737 -14.942 7.628 144 HB3 ASN 18 2HB ASN 18 17.931 -15.094 9.371 145 HD21 ASN 18 2HD2 ASN 18 16.927 -16.612 6.466 146 HD22 ASN 18 1HD2 ASN 18 16.536 -18.154 7.149 147 H THR 19 H THR 19 14.762 -12.234 8.024 148 HA THR 19 HA THR 19 16.081 -10.294 9.559 149 HB THR 19 HB THR 19 17.952 -10.820 7.976 150 HG1 THR 19 HG1 THR 19 17.712 -8.316 7.195 151 HG21 THR 19 3HG2 THR 19 16.088 -9.624 5.921 152 HG22 THR 19 1HG2 THR 19 16.645 -11.297 5.972 153 HG23 THR 19 2HG2 THR 19 17.793 -9.994 5.667 154 H VAL 20 H VAL 20 15.608 -8.003 8.554 155 HA VAL 20 HA VAL 20 12.794 -8.032 7.778 156 HB VAL 20 HB VAL 20 14.540 -5.660 8.484 157 HG11 VAL 20 1HG1 VAL 20 12.428 -4.474 8.798 158 HG12 VAL 20 2HG1 VAL 20 11.535 -5.915 8.303 159 HG13 VAL 20 3HG1 VAL 20 12.576 -5.077 7.147 160 HG21 VAL 20 3HG2 VAL 20 12.615 -7.212 10.208 161 HG22 VAL 20 1HG2 VAL 20 13.428 -5.718 10.670 162 HG23 VAL 20 2HG2 VAL 20 14.370 -7.179 10.374 163 H ASN 21 H ASN 21 12.042 -7.376 5.840 164 HA ASN 21 HA ASN 21 14.039 -6.622 3.811 165 HB2 ASN 21 1HB ASN 21 11.426 -8.110 3.615 166 HB3 ASN 21 2HB ASN 21 12.196 -7.404 2.198 167 HD21 ASN 21 2HD2 ASN 21 12.562 -9.746 4.774 168 HD22 ASN 21 1HD2 ASN 21 13.744 -10.729 3.979 169 H THR 22 H THR 22 13.548 -4.972 2.332 170 HA THR 22 HA THR 22 11.879 -2.882 3.429 171 HB THR 22 HB THR 22 13.360 -2.809 0.799 172 HG1 THR 22 HG1 THR 22 14.312 -2.548 3.462 173 HG21 THR 22 3HG2 THR 22 11.800 -0.967 1.223 174 HG22 THR 22 1HG2 THR 22 13.470 -0.402 1.261 175 HG23 THR 22 2HG2 THR 22 12.589 -0.649 2.768 176 H MET 23 H MET 23 9.761 -3.620 3.176 177 HA MET 23 HA MET 23 8.860 -4.524 0.590 178 HB2 MET 23 1HB MET 23 7.294 -3.972 3.115 179 HB3 MET 23 2HB MET 23 6.651 -4.729 1.663 180 HG2 MET 23 1HG MET 23 8.761 -5.813 3.508 181 HG3 MET 23 2HG MET 23 7.133 -6.436 3.253 182 HE1 MET 23 3HE MET 23 6.905 -6.162 0.046 183 HE2 MET 23 1HE MET 23 6.342 -7.572 0.943 184 HE3 MET 23 2HE MET 23 7.406 -7.780 -0.447 185 H THR 24 H THR 24 8.559 -3.156 -0.950 186 HA THR 24 HA THR 24 7.709 -0.415 -0.343 187 HB THR 24 HB THR 24 8.905 -1.503 -2.901 188 HG1 THR 24 HG1 THR 24 10.054 -0.907 -0.513 189 HG21 THR 24 3HG2 THR 24 7.628 0.563 -3.190 190 HG22 THR 24 1HG2 THR 24 9.355 0.854 -3.397 191 HG23 THR 24 2HG2 THR 24 8.556 1.321 -1.895 192 H ALA 25 H ALA 25 5.560 -0.198 -0.470 193 HA ALA 25 HA ALA 25 4.085 -1.655 -2.544 194 HB1 ALA 25 3HB ALA 25 3.259 -1.889 -0.251 195 HB2 ALA 25 1HB ALA 25 2.078 -1.072 -1.276 196 HB3 ALA 25 2HB ALA 25 3.057 -0.140 -0.143 197 H THR 26 H THR 26 3.579 -0.603 -4.344 198 HA THR 26 HA THR 26 3.963 2.265 -4.492 199 HB THR 26 HB THR 26 3.139 0.354 -6.691 200 HG1 THR 26 HG1 THR 26 5.711 1.256 -5.830 201 HG21 THR 26 3HG2 THR 26 2.678 2.706 -7.195 202 HG22 THR 26 1HG2 THR 26 4.006 2.100 -8.186 203 HG23 THR 26 2HG2 THR 26 4.342 3.126 -6.791 204 H ILE 27 H ILE 27 2.315 3.414 -3.668 205 HA ILE 27 HA ILE 27 -0.439 2.622 -4.300 206 HB ILE 27 HB ILE 27 0.426 4.874 -2.486 207 HG12 ILE 27 1HG1 ILE 27 1.404 2.859 -1.580 208 HG13 ILE 27 2HG1 ILE 27 0.011 3.297 -0.601 209 HG21 ILE 27 1HG2 ILE 27 -2.159 3.338 -2.712 210 HG22 ILE 27 2HG2 ILE 27 -1.874 4.992 -3.250 211 HG23 ILE 27 3HG2 ILE 27 -1.819 4.602 -1.531 212 HD11 ILE 27 3HD1 ILE 27 0.158 0.893 -0.989 213 HD12 ILE 27 1HD1 ILE 27 0.049 1.169 -2.727 214 HD13 ILE 27 2HD1 ILE 27 -1.313 1.579 -1.684 215 H GLU 28 H GLU 28 -1.430 3.564 -5.946 216 HA GLU 28 HA GLU 28 -0.374 6.140 -6.913 217 HB2 GLU 28 1HB GLU 28 0.210 4.172 -8.335 218 HB3 GLU 28 2HB GLU 28 -1.507 3.889 -8.579 219 HG2 GLU 28 1HG GLU 28 -1.755 5.918 -9.782 220 HG3 GLU 28 2HG GLU 28 -0.130 6.447 -9.339 221 H ASN 29 H ASN 29 -1.821 7.694 -7.445 222 HA ASN 29 HA ASN 29 -4.601 7.214 -6.674 223 HB2 ASN 29 1HB ASN 29 -3.364 9.217 -5.818 224 HB3 ASN 29 2HB ASN 29 -3.260 9.813 -7.470 225 HD21 ASN 29 2HD2 ASN 29 -4.476 11.068 -5.199 226 HD22 ASN 29 1HD2 ASN 29 -6.138 11.324 -5.607 227 H GLN 30 H GLN 30 -5.671 6.236 -8.308 228 HA GLN 30 HA GLN 30 -5.233 7.256 -11.026 229 HB2 GLN 30 1HB GLN 30 -6.498 4.656 -10.136 230 HB3 GLN 30 2HB GLN 30 -6.215 5.143 -11.804 231 HG2 GLN 30 1HG GLN 30 -3.772 5.274 -11.249 232 HG3 GLN 30 2HG GLN 30 -4.158 4.533 -9.698 233 HE21 GLN 30 2HE2 GLN 30 -2.453 3.550 -11.818 234 HE22 GLN 30 1HE2 GLN 30 -3.117 2.022 -12.301 235 H GLY 31 H GLY 31 -6.603 8.974 -9.644 236 HA2 GLY 31 1HA GLY 31 -9.290 8.796 -10.796 237 HA3 GLY 31 2HA GLY 31 -9.142 9.135 -9.075 238 H ASN 32 H ASN 32 -10.420 11.061 -10.302 239 HA ASN 32 HA ASN 32 -8.463 12.974 -11.360 240 HB2 ASN 32 1HB ASN 32 -10.591 12.333 -12.638 241 HB3 ASN 32 2HB ASN 32 -11.460 13.293 -11.447 242 HD21 ASN 32 2HD2 ASN 32 -11.345 15.509 -11.536 243 HD22 ASN 32 1HD2 ASN 32 -10.591 16.367 -12.833 244 H LYS 33 H LYS 33 -8.384 12.604 -8.597 245 HA LYS 33 HA LYS 33 -8.447 15.388 -7.961 246 HB2 LYS 33 1HB LYS 33 -10.757 14.619 -7.276 247 HB3 LYS 33 2HB LYS 33 -9.980 13.578 -6.088 248 HG2 LYS 33 1HG LYS 33 -8.862 15.649 -5.179 249 HG3 LYS 33 2HG LYS 33 -9.940 16.581 -6.216 250 HD2 LYS 33 1HD LYS 33 -11.867 15.500 -5.102 251 HD3 LYS 33 2HD LYS 33 -10.738 14.694 -4.008 252 HE2 LYS 33 1HE LYS 33 -11.105 17.673 -4.322 253 HE3 LYS 33 2HE LYS 33 -11.675 16.693 -2.974 254 HZ1 LYS 33 3HZ LYS 33 -9.416 16.220 -2.356 255 HZ2 LYS 33 1HZ LYS 33 -9.607 17.895 -2.491 256 HZ3 LYS 33 2HZ LYS 33 -8.808 17.035 -3.716 257 H ASP 34 H ASP 34 -7.211 15.887 -6.086 258 HA ASP 34 HA ASP 34 -5.056 14.139 -5.497 259 HB2 ASP 34 1HB ASP 34 -4.409 15.828 -3.861 260 HB3 ASP 34 2HB ASP 34 -4.925 16.621 -5.347 261 H SER 35 H SER 35 -4.532 13.451 -3.239 262 HA SER 35 HA SER 35 -6.942 12.809 -1.691 263 HB2 SER 35 1HB SER 35 -5.774 10.594 -1.142 264 HB3 SER 35 2HB SER 35 -6.478 10.754 -2.751 265 HG SER 35 HG SER 35 -3.996 11.668 -2.868 266 H THR 36 H THR 36 -6.793 13.082 0.443 267 HA THR 36 HA THR 36 -4.520 14.534 1.428 268 HB THR 36 HB THR 36 -5.974 14.577 3.549 269 HG1 THR 36 HG1 THR 36 -7.577 13.170 3.418 270 HG21 THR 36 3HG2 THR 36 -5.806 16.441 1.965 271 HG22 THR 36 1HG2 THR 36 -7.448 16.284 2.591 272 HG23 THR 36 2HG2 THR 36 -7.063 15.708 0.969 273 H SER 37 H SER 37 -4.446 13.821 4.110 274 HA SER 37 HA SER 37 -2.590 11.717 4.026 275 HB2 SER 37 1HB SER 37 -2.625 13.560 5.722 276 HB3 SER 37 2HB SER 37 -4.013 12.778 6.478 277 HG SER 37 HG SER 37 -1.606 11.373 6.022 278 H PHE 38 H PHE 38 -2.894 9.622 3.920 279 HA PHE 38 HA PHE 38 -5.255 8.440 5.209 280 HB2 PHE 38 1HB PHE 38 -5.551 6.897 3.343 281 HB3 PHE 38 2HB PHE 38 -5.655 8.557 2.767 282 HD1 PHE 38 HD2 PHE 38 -3.747 9.538 1.498 283 HD2 PHE 38 HD1 PHE 38 -3.892 5.420 2.560 284 HE1 PHE 38 HE2 PHE 38 -2.015 9.044 -0.180 285 HE2 PHE 38 HE1 PHE 38 -2.164 4.929 0.882 286 HZ PHE 38 HZ PHE 38 -1.219 6.726 -0.476 287 H ASN 39 H ASN 39 -4.944 6.091 5.661 288 HA ASN 39 HA ASN 39 -2.144 5.671 6.473 289 HB2 ASN 39 1HB ASN 39 -4.467 5.622 7.972 290 HB3 ASN 39 2HB ASN 39 -4.156 3.915 7.673 291 HD21 ASN 39 2HD2 ASN 39 -4.076 5.234 10.174 292 HD22 ASN 39 1HD2 ASN 39 -2.447 5.115 10.776 293 H VAL 40 H VAL 40 -1.019 4.041 5.507 294 HA VAL 40 HA VAL 40 -2.620 1.983 4.143 295 HB VAL 40 HB VAL 40 -0.205 3.447 3.266 296 HG11 VAL 40 1HG1 VAL 40 -0.495 0.481 2.766 297 HG12 VAL 40 2HG1 VAL 40 0.853 1.299 3.558 298 HG13 VAL 40 3HG1 VAL 40 0.554 1.555 1.840 299 HG21 VAL 40 3HG2 VAL 40 -2.422 3.629 2.228 300 HG22 VAL 40 1HG2 VAL 40 -2.338 1.925 1.786 301 HG23 VAL 40 2HG2 VAL 40 -1.186 3.070 1.098 302 H SER 41 H SER 41 -2.514 -0.003 4.856 303 HA SER 41 HA SER 41 -0.379 -0.692 6.768 304 HB2 SER 41 1HB SER 41 -3.230 -1.713 6.742 305 HB3 SER 41 2HB SER 41 -2.003 -2.046 7.963 306 HG SER 41 HG SER 41 -2.250 -0.088 8.782 307 H LEU 42 H LEU 42 0.534 -2.726 6.651 308 HA LEU 42 HA LEU 42 -0.116 -4.274 4.239 309 HB2 LEU 42 1HB LEU 42 2.222 -3.496 4.477 310 HB3 LEU 42 2HB LEU 42 2.351 -4.390 5.981 311 HG LEU 42 HG LEU 42 1.981 -6.496 4.743 312 HD11 LEU 42 1HD1 LEU 42 2.098 -6.486 2.298 313 HD12 LEU 42 2HD1 LEU 42 2.082 -4.721 2.307 314 HD13 LEU 42 3HD1 LEU 42 0.680 -5.619 2.887 315 HD21 LEU 42 3HD2 LEU 42 4.250 -5.739 5.187 316 HD22 LEU 42 1HD2 LEU 42 4.242 -4.797 3.696 317 HD23 LEU 42 2HD2 LEU 42 4.155 -6.557 3.627 318 H LEU 43 H LEU 43 -1.536 -5.819 4.650 319 HA LEU 43 HA LEU 43 -1.495 -7.149 7.258 320 HB2 LEU 43 1HB LEU 43 -3.555 -7.330 5.056 321 HB3 LEU 43 2HB LEU 43 -3.693 -8.027 6.657 322 HG LEU 43 HG LEU 43 -3.407 -5.501 7.405 323 HD11 LEU 43 1HD1 LEU 43 -4.619 -5.249 4.666 324 HD12 LEU 43 2HD1 LEU 43 -3.044 -4.634 5.165 325 HD13 LEU 43 3HD1 LEU 43 -4.515 -3.972 5.878 326 HD21 LEU 43 3HD2 LEU 43 -5.972 -6.651 6.323 327 HD22 LEU 43 1HD2 LEU 43 -5.841 -5.321 7.472 328 HD23 LEU 43 2HD2 LEU 43 -5.304 -6.937 7.930 329 H VAL 44 H VAL 44 -0.319 -8.909 7.386 330 HA VAL 44 HA VAL 44 0.137 -10.540 4.996 331 HB VAL 44 HB VAL 44 1.496 -10.636 7.698 332 HG11 VAL 44 1HG1 VAL 44 1.481 -12.818 6.606 333 HG12 VAL 44 2HG1 VAL 44 3.105 -12.130 6.617 334 HG13 VAL 44 3HG1 VAL 44 2.144 -12.097 5.139 335 HG21 VAL 44 3HG2 VAL 44 3.417 -9.679 6.524 336 HG22 VAL 44 1HG2 VAL 44 2.019 -8.606 6.457 337 HG23 VAL 44 2HG2 VAL 44 2.460 -9.569 5.047 338 H ASP 45 H ASP 45 -1.411 -11.968 4.707 339 HA ASP 45 HA ASP 45 -2.817 -13.714 4.998 340 HB2 ASP 45 1HB ASP 45 -0.829 -14.305 7.187 341 HB3 ASP 45 2HB ASP 45 -2.161 -15.390 6.804 342 H GLY 46 H GLY 46 -3.221 -11.144 6.552 343 HA2 GLY 46 1HA GLY 46 -5.525 -10.832 7.366 344 HA3 GLY 46 2HA GLY 46 -5.276 -12.262 8.354 345 H ILE 47 H ILE 47 -2.474 -11.286 8.961 346 HA ILE 47 HA ILE 47 -3.291 -9.573 11.199 347 HB ILE 47 HB ILE 47 -0.555 -10.765 10.843 348 HG12 ILE 47 1HG1 ILE 47 -2.936 -12.112 12.145 349 HG13 ILE 47 2HG1 ILE 47 -2.219 -12.591 10.610 350 HG21 ILE 47 1HG2 ILE 47 -0.522 -10.672 13.292 351 HG22 ILE 47 2HG2 ILE 47 -2.150 -9.996 13.281 352 HG23 ILE 47 3HG2 ILE 47 -0.812 -9.086 12.577 353 HD11 ILE 47 3HD1 ILE 47 -0.845 -12.654 13.286 354 HD12 ILE 47 1HD1 ILE 47 -0.144 -13.157 11.749 355 HD13 ILE 47 2HD1 ILE 47 -1.511 -14.042 12.426 356 H VAL 48 H VAL 48 -2.081 -7.662 11.712 357 HA VAL 48 HA VAL 48 -1.043 -6.362 9.293 358 HB VAL 48 HB VAL 48 -1.818 -5.096 11.930 359 HG11 VAL 48 1HG1 VAL 48 -1.771 -2.993 10.662 360 HG12 VAL 48 2HG1 VAL 48 -1.193 -3.871 9.245 361 HG13 VAL 48 3HG1 VAL 48 -0.191 -3.779 10.694 362 HG21 VAL 48 3HG2 VAL 48 -3.357 -5.260 9.340 363 HG22 VAL 48 1HG2 VAL 48 -3.832 -4.325 10.758 364 HG23 VAL 48 2HG2 VAL 48 -3.760 -6.085 10.847 365 H VAL 49 H VAL 49 1.099 -6.523 9.057 366 HA VAL 49 HA VAL 49 2.772 -6.887 11.402 367 HB VAL 49 HB VAL 49 4.627 -7.233 9.809 368 HG11 VAL 49 1HG1 VAL 49 3.813 -9.350 8.890 369 HG12 VAL 49 2HG1 VAL 49 2.154 -8.860 9.239 370 HG13 VAL 49 3HG1 VAL 49 3.292 -9.122 10.560 371 HG21 VAL 49 3HG2 VAL 49 2.508 -6.837 7.696 372 HG22 VAL 49 1HG2 VAL 49 4.153 -7.405 7.409 373 HG23 VAL 49 2HG2 VAL 49 3.876 -5.769 8.010 374 H ASP 50 H ASP 50 2.047 -4.393 9.068 375 HA ASP 50 HA ASP 50 3.468 -2.475 10.675 376 HB2 ASP 50 1HB ASP 50 5.164 -3.552 9.039 377 HB3 ASP 50 2HB ASP 50 4.323 -2.634 7.793 378 H THR 51 H THR 51 3.127 -0.275 9.922 379 HA THR 51 HA THR 51 0.999 0.169 7.988 380 HB THR 51 HB THR 51 0.685 0.905 10.912 381 HG1 THR 51 HG1 THR 51 0.076 -1.311 9.708 382 HG21 THR 51 3HG2 THR 51 -1.117 1.495 8.560 383 HG22 THR 51 1HG2 THR 51 -0.164 2.676 9.458 384 HG23 THR 51 2HG2 THR 51 -1.491 1.829 10.251 385 H GLN 52 H GLN 52 1.454 2.000 6.903 386 HA GLN 52 HA GLN 52 3.086 4.034 8.278 387 HB2 GLN 52 1HB GLN 52 4.297 2.667 6.473 388 HB3 GLN 52 2HB GLN 52 3.260 3.494 5.316 389 HG2 GLN 52 1HG GLN 52 4.165 5.623 6.618 390 HG3 GLN 52 2HG GLN 52 5.508 4.524 6.940 391 HE21 GLN 52 2HE2 GLN 52 3.737 6.248 4.497 392 HE22 GLN 52 1HE2 GLN 52 4.910 6.073 3.232 393 H THR 53 H THR 53 2.072 5.915 8.423 394 HA THR 53 HA THR 53 -0.327 6.418 6.914 395 HB THR 53 HB THR 53 1.139 8.318 8.753 396 HG1 THR 53 HG1 THR 53 -0.484 6.083 9.261 397 HG21 THR 53 3HG2 THR 53 -1.757 8.152 7.905 398 HG22 THR 53 1HG2 THR 53 -0.588 9.356 7.362 399 HG23 THR 53 2HG2 THR 53 -1.089 9.311 9.053 400 H VAL 54 H VAL 54 -0.510 7.609 5.105 401 HA VAL 54 HA VAL 54 1.945 8.773 4.006 402 HB VAL 54 HB VAL 54 -0.683 8.246 2.605 403 HG11 VAL 54 1HG1 VAL 54 2.046 8.925 1.507 404 HG12 VAL 54 2HG1 VAL 54 0.644 9.994 1.542 405 HG13 VAL 54 3HG1 VAL 54 0.617 8.537 0.549 406 HG21 VAL 54 3HG2 VAL 54 1.854 6.612 2.598 407 HG22 VAL 54 1HG2 VAL 54 0.430 6.307 1.604 408 HG23 VAL 54 2HG2 VAL 54 0.329 6.158 3.358 409 H THR 55 H THR 55 2.186 10.893 3.734 410 HA THR 55 HA THR 55 0.611 12.721 5.130 411 HB THR 55 HB THR 55 2.374 13.581 2.865 412 HG1 THR 55 HG1 THR 55 4.050 13.251 4.739 413 HG21 THR 55 3HG2 THR 55 2.039 14.531 5.715 414 HG22 THR 55 1HG2 THR 55 1.311 15.274 4.290 415 HG23 THR 55 2HG2 THR 55 3.063 15.279 4.489 416 H SER 56 H SER 56 0.835 12.087 1.640 417 HA SER 56 HA SER 56 -1.822 12.656 1.030 418 HB2 SER 56 1HB SER 56 -1.193 14.990 1.658 419 HB3 SER 56 2HB SER 56 0.042 14.970 0.402 420 HG SER 56 HG SER 56 -2.677 14.435 -0.186 421 H LEU 57 H LEU 57 -2.227 12.438 -1.243 422 HA LEU 57 HA LEU 57 0.133 11.739 -2.848 423 HB2 LEU 57 1HB LEU 57 -0.874 9.663 -2.095 424 HB3 LEU 57 2HB LEU 57 -2.447 10.180 -2.670 425 HG LEU 57 HG LEU 57 -1.696 10.045 -4.976 426 HD11 LEU 57 1HD1 LEU 57 0.958 9.181 -3.839 427 HD12 LEU 57 2HD1 LEU 57 0.631 10.711 -4.651 428 HD13 LEU 57 3HD1 LEU 57 0.515 9.195 -5.546 429 HD21 LEU 57 3HD2 LEU 57 -1.002 7.598 -3.360 430 HD22 LEU 57 1HD2 LEU 57 -1.291 7.621 -5.100 431 HD23 LEU 57 2HD2 LEU 57 -2.592 8.034 -3.986 432 H GLU 58 H GLU 58 0.221 12.725 -4.718 433 HA GLU 58 HA GLU 58 -1.801 14.625 -5.431 434 HB2 GLU 58 1HB GLU 58 0.717 13.856 -6.918 435 HB3 GLU 58 2HB GLU 58 -0.239 15.313 -7.163 436 HG2 GLU 58 1HG GLU 58 0.336 16.123 -4.977 437 HG3 GLU 58 2HG GLU 58 1.163 14.614 -4.595 438 H SER 59 H SER 59 -2.664 14.812 -7.632 439 HA SER 59 HA SER 59 -4.135 12.537 -8.333 440 HB2 SER 59 1HB SER 59 -3.591 14.914 -10.118 441 HB3 SER 59 2HB SER 59 -4.995 13.847 -10.150 442 HG SER 59 HG SER 59 -5.740 15.491 -8.991 443 H GLU 60 H GLU 60 -3.536 10.783 -9.358 444 HA GLU 60 HA GLU 60 -2.542 9.316 -10.735 445 HB2 GLU 60 1HB GLU 60 -2.213 11.782 -12.429 446 HB3 GLU 60 2HB GLU 60 -1.822 10.158 -12.986 447 HG2 GLU 60 1HG GLU 60 -4.163 9.492 -12.463 448 HG3 GLU 60 2HG GLU 60 -4.510 11.185 -12.120 449 H ASN 61 H ASN 61 -0.918 10.818 -8.722 450 HA ASN 61 HA ASN 61 1.730 10.237 -9.850 451 HB2 ASN 61 1HB ASN 61 1.171 12.383 -8.444 452 HB3 ASN 61 2HB ASN 61 1.291 11.292 -7.067 453 HD21 ASN 61 2HD2 ASN 61 2.966 13.546 -7.648 454 HD22 ASN 61 1HD2 ASN 61 4.577 12.946 -7.854 455 H SER 62 H SER 62 3.181 8.927 -8.425 456 HA SER 62 HA SER 62 1.633 6.812 -7.079 457 HB2 SER 62 1HB SER 62 4.209 6.141 -8.422 458 HB3 SER 62 2HB SER 62 2.752 5.165 -8.223 459 HG SER 62 HG SER 62 2.046 5.856 -10.085 460 H THR 63 H THR 63 2.155 6.670 -4.994 461 HA THR 63 HA THR 63 4.848 7.537 -4.182 462 HB THR 63 HB THR 63 2.257 7.594 -2.625 463 HG1 THR 63 HG1 THR 63 3.930 9.495 -3.870 464 HG21 THR 63 3HG2 THR 63 4.106 6.927 -1.148 465 HG22 THR 63 1HG2 THR 63 3.545 8.557 -0.778 466 HG23 THR 63 2HG2 THR 63 5.037 8.323 -1.687 467 H ASN 64 H ASN 64 6.163 6.094 -3.341 468 HA ASN 64 HA ASN 64 5.210 3.382 -2.929 469 HB2 ASN 64 1HB ASN 64 7.949 4.633 -3.002 470 HB3 ASN 64 2HB ASN 64 7.704 2.970 -2.482 471 HD21 ASN 64 2HD2 ASN 64 9.149 4.054 -4.775 472 HD22 ASN 64 1HD2 ASN 64 8.437 3.319 -6.174 473 H VAL 65 H VAL 65 4.981 2.395 -1.031 474 HA VAL 65 HA VAL 65 5.331 4.006 1.384 475 HB VAL 65 HB VAL 65 3.969 1.321 1.092 476 HG11 VAL 65 1HG1 VAL 65 4.631 1.832 3.372 477 HG12 VAL 65 2HG1 VAL 65 2.878 1.927 3.205 478 HG13 VAL 65 3HG1 VAL 65 3.839 3.404 3.268 479 HG21 VAL 65 3HG2 VAL 65 1.861 2.602 1.100 480 HG22 VAL 65 1HG2 VAL 65 2.851 2.915 -0.327 481 HG23 VAL 65 2HG2 VAL 65 2.796 4.094 0.987 482 H ASP 66 H ASP 66 6.764 3.522 2.949 483 HA ASP 66 HA ASP 66 8.685 1.392 2.357 484 HB2 ASP 66 1HB ASP 66 9.611 3.636 2.608 485 HB3 ASP 66 2HB ASP 66 8.857 3.797 4.190 486 H PHE 67 H PHE 67 7.792 -0.433 3.189 487 HA PHE 67 HA PHE 67 6.879 -0.409 5.971 488 HB2 PHE 67 1HB PHE 67 6.593 -2.384 3.720 489 HB3 PHE 67 2HB PHE 67 6.305 -2.864 5.387 490 HD1 PHE 67 HD2 PHE 67 4.839 -0.783 6.595 491 HD2 PHE 67 HD1 PHE 67 4.636 -2.157 2.571 492 HE1 PHE 67 HE2 PHE 67 2.518 0.009 6.446 493 HE2 PHE 67 HE1 PHE 67 2.313 -1.363 2.417 494 HZ PHE 67 HZ PHE 67 1.253 -0.286 4.359 495 H HIS 68 H HIS 68 7.685 -1.901 7.495 496 HA HIS 68 HA HIS 68 10.346 -2.991 6.817 497 HB2 HIS 68 1HB HIS 68 9.522 -2.061 9.572 498 HB3 HIS 68 2HB HIS 68 11.142 -2.456 9.003 499 HD1 HIS 68 HD1 HIS 68 9.100 0.352 9.729 500 HD2 HIS 68 HD2 HIS 68 11.882 -0.529 6.773 501 HE1 HIS 68 HE1 HIS 68 9.759 2.567 8.739 502 HE2 HIS 68 HE2 HIS 68 11.188 1.963 6.754 503 H TRP 69 H TRP 69 9.744 -5.050 6.386 504 HA TRP 69 HA TRP 69 8.138 -6.451 8.416 505 HB2 TRP 69 1HB TRP 69 6.919 -6.249 6.343 506 HB3 TRP 69 2HB TRP 69 8.291 -6.861 5.426 507 HD1 TRP 69 HD1 TRP 69 6.769 -8.430 8.607 508 HE1 TRP 69 HE1 TRP 69 6.009 -10.825 8.025 509 HE3 TRP 69 HE3 TRP 69 7.775 -8.398 3.601 510 HZ2 TRP 69 HZ2 TRP 69 5.871 -12.476 5.733 511 HZ3 TRP 69 HZ3 TRP 69 7.304 -10.420 2.285 512 HH2 TRP 69 HH2 TRP 69 6.369 -12.416 3.331 513 H THR 70 H THR 70 9.223 -7.889 9.551 514 HA THR 70 HA THR 70 11.756 -8.932 8.577 515 HB THR 70 HB THR 70 11.563 -8.082 10.909 516 HG1 THR 70 HG1 THR 70 12.923 -9.589 11.646 517 HG21 THR 70 3HG2 THR 70 9.821 -10.512 11.345 518 HG22 THR 70 1HG2 THR 70 9.284 -8.831 11.400 519 HG23 THR 70 2HG2 THR 70 10.427 -9.432 12.601 520 H LEU 71 H LEU 71 12.186 -11.113 8.252 521 HA LEU 71 HA LEU 71 9.792 -12.807 8.023 522 HB2 LEU 71 1HB LEU 71 12.236 -12.547 6.371 523 HB3 LEU 71 2HB LEU 71 11.564 -14.156 6.555 524 HG LEU 71 HG LEU 71 10.696 -13.260 4.549 525 HD11 LEU 71 1HD1 LEU 71 8.592 -13.028 6.681 526 HD12 LEU 71 2HD1 LEU 71 9.120 -14.517 5.899 527 HD13 LEU 71 3HD1 LEU 71 8.308 -13.267 4.958 528 HD21 LEU 71 3HD2 LEU 71 9.505 -11.151 4.416 529 HD22 LEU 71 1HD2 LEU 71 11.155 -10.906 4.984 530 HD23 LEU 71 2HD2 LEU 71 9.813 -10.857 6.128 531 H ASP 72 H ASP 72 9.610 -14.467 9.310 532 HA ASP 72 HA ASP 72 11.926 -15.487 10.752 533 HB2 ASP 72 1HB ASP 72 8.981 -16.151 10.876 534 HB3 ASP 72 2HB ASP 72 10.198 -17.063 11.758 535 H GLY 73 H GLY 73 9.896 -16.224 8.057 536 HA2 GLY 73 1HA GLY 73 10.285 -17.814 6.385 537 HA3 GLY 73 2HA GLY 73 11.503 -18.563 7.413 538 H THR 74 H THR 74 8.255 -17.759 8.416 539 HA THR 74 HA THR 74 7.771 -20.316 9.526 540 HB THR 74 HB THR 74 5.466 -18.559 8.867 541 HG1 THR 74 HG1 THR 74 6.849 -17.619 11.044 542 HG21 THR 74 3HG2 THR 74 5.217 -20.512 10.327 543 HG22 THR 74 1HG2 THR 74 4.893 -19.019 11.207 544 HG23 THR 74 2HG2 THR 74 6.432 -19.854 11.423 545 H ALA 75 H ALA 75 7.004 -18.806 6.471 546 HA ALA 75 HA ALA 75 6.002 -21.358 5.469 547 HB1 ALA 75 3HB ALA 75 4.011 -20.095 6.120 548 HB2 ALA 75 1HB ALA 75 4.103 -20.280 4.369 549 HB3 ALA 75 2HB ALA 75 4.535 -18.742 5.116 550 H ASN 76 H ASN 76 6.128 -21.550 3.191 551 HA ASN 76 HA ASN 76 8.375 -20.290 2.014 552 HB2 ASN 76 1HB ASN 76 7.613 -22.561 1.412 553 HB3 ASN 76 2HB ASN 76 6.157 -21.879 0.699 554 HD21 ASN 76 2HD2 ASN 76 6.520 -22.582 -1.344 555 HD22 ASN 76 1HD2 ASN 76 7.815 -22.019 -2.342 556 H SER 77 H SER 77 4.946 -19.631 1.970 557 HA SER 77 HA SER 77 5.476 -17.203 0.411 558 HB2 SER 77 1HB SER 77 3.121 -19.043 -0.072 559 HB3 SER 77 2HB SER 77 3.482 -17.548 -0.936 560 HG SER 77 HG SER 77 5.631 -18.790 -1.289 561 H TYR 78 H TYR 78 4.470 -15.433 1.139 562 HA TYR 78 HA TYR 78 2.544 -15.754 3.350 563 HB2 TYR 78 1HB TYR 78 4.562 -13.585 2.775 564 HB3 TYR 78 2HB TYR 78 3.257 -13.380 3.933 565 HD1 TYR 78 HD1 TYR 78 6.156 -15.614 3.173 566 HD2 TYR 78 HD2 TYR 78 3.581 -13.986 6.141 567 HE1 TYR 78 HE1 TYR 78 7.571 -16.588 4.932 568 HE2 TYR 78 HE2 TYR 78 4.984 -14.959 7.904 569 HH TYR 78 HH TYR 78 6.609 -16.623 8.269 570 H THR 79 H THR 79 0.691 -14.459 3.367 571 HA THR 79 HA THR 79 -0.092 -13.515 0.705 572 HB THR 79 HB THR 79 -1.883 -13.768 3.123 573 HG1 THR 79 HG1 THR 79 -1.300 -15.829 2.934 574 HG21 THR 79 3HG2 THR 79 -2.783 -12.493 1.238 575 HG22 THR 79 1HG2 THR 79 -3.644 -14.018 1.434 576 HG23 THR 79 2HG2 THR 79 -2.444 -13.842 0.154 577 H LEU 80 H LEU 80 0.975 -11.505 0.652 578 HA LEU 80 HA LEU 80 0.508 -9.640 2.825 579 HB2 LEU 80 1HB LEU 80 2.346 -9.763 0.510 580 HB3 LEU 80 2HB LEU 80 1.884 -8.166 1.068 581 HG LEU 80 HG LEU 80 2.723 -8.698 3.312 582 HD11 LEU 80 1HD1 LEU 80 2.343 -11.093 3.321 583 HD12 LEU 80 2HD1 LEU 80 4.031 -10.730 3.682 584 HD13 LEU 80 3HD1 LEU 80 3.575 -11.309 2.081 585 HD21 LEU 80 3HD2 LEU 80 4.202 -7.640 1.695 586 HD22 LEU 80 1HD2 LEU 80 4.713 -9.225 1.114 587 HD23 LEU 80 2HD2 LEU 80 5.099 -8.723 2.759 588 H THR 81 H THR 81 -1.113 -8.314 2.876 589 HA THR 81 HA THR 81 -2.361 -7.494 0.336 590 HB THR 81 HB THR 81 -3.722 -7.881 3.013 591 HG1 THR 81 HG1 THR 81 -3.187 -9.854 1.951 592 HG21 THR 81 3HG2 THR 81 -5.799 -7.493 1.767 593 HG22 THR 81 1HG2 THR 81 -4.867 -7.182 0.304 594 HG23 THR 81 2HG2 THR 81 -4.736 -6.088 1.681 595 H VAL 82 H VAL 82 -1.927 -5.443 -0.066 596 HA VAL 82 HA VAL 82 -1.444 -3.557 2.099 597 HB VAL 82 HB VAL 82 -1.491 -3.047 -0.881 598 HG11 VAL 82 1HG1 VAL 82 -1.811 -1.030 0.434 599 HG12 VAL 82 2HG1 VAL 82 -0.212 -1.029 -0.308 600 HG13 VAL 82 3HG1 VAL 82 -0.389 -1.412 1.404 601 HG21 VAL 82 3HG2 VAL 82 0.225 -4.680 -0.336 602 HG22 VAL 82 1HG2 VAL 82 0.851 -3.627 0.931 603 HG23 VAL 82 2HG2 VAL 82 0.959 -3.134 -0.759 604 H ASN 83 H ASN 83 -3.240 -2.876 3.110 605 HA ASN 83 HA ASN 83 -5.599 -2.251 1.483 606 HB2 ASN 83 1HB ASN 83 -6.019 -3.597 3.487 607 HB3 ASN 83 2HB ASN 83 -5.287 -2.349 4.493 608 HD21 ASN 83 2HD2 ASN 83 -6.417 -0.459 4.900 609 HD22 ASN 83 1HD2 ASN 83 -8.101 -0.291 4.549 610 H VAL 84 H VAL 84 -5.814 -0.277 0.766 611 HA VAL 84 HA VAL 84 -4.286 1.882 1.941 612 HB VAL 84 HB VAL 84 -6.117 1.849 -0.462 613 HG11 VAL 84 1HG1 VAL 84 -5.977 4.081 0.509 614 HG12 VAL 84 2HG1 VAL 84 -5.110 4.008 -1.025 615 HG13 VAL 84 3HG1 VAL 84 -4.216 3.987 0.495 616 HG21 VAL 84 3HG2 VAL 84 -4.104 0.456 -0.691 617 HG22 VAL 84 1HG2 VAL 84 -3.104 1.848 -0.273 618 HG23 VAL 84 2HG2 VAL 84 -4.056 1.861 -1.759 619 H ASP 85 H ASP 85 -5.036 2.764 3.671 620 HA ASP 85 HA ASP 85 -6.268 3.944 5.117 621 HB2 ASP 85 1HB ASP 85 -6.800 5.294 3.045 622 HB3 ASP 85 2HB ASP 85 -8.316 4.400 2.953 623 HA PRO 86 HA PRO 86 -9.237 0.708 6.217 624 HB2 PRO 86 1HB PRO 86 -8.138 0.046 8.565 625 HB3 PRO 86 2HB PRO 86 -7.469 -0.552 7.042 626 HG2 PRO 86 1HG PRO 86 -6.461 1.586 8.844 627 HG3 PRO 86 2HG PRO 86 -5.558 0.456 7.823 628 HD2 PRO 86 1HD PRO 86 -6.190 3.142 7.223 629 HD3 PRO 86 2HD PRO 86 -5.522 1.936 6.108 630 H GLU 87 H GLU 87 -8.622 3.793 7.034 631 HA GLU 87 HA GLU 87 -10.425 3.798 9.361 632 HB2 GLU 87 1HB GLU 87 -8.329 5.799 8.495 633 HB3 GLU 87 2HB GLU 87 -9.437 6.048 9.839 634 HG2 GLU 87 1HG GLU 87 -8.501 4.171 11.021 635 HG3 GLU 87 2HG GLU 87 -7.472 3.775 9.647 636 H ASN 88 H ASN 88 -10.223 4.449 6.102 637 HA ASN 88 HA ASN 88 -11.537 5.472 4.576 638 HB2 ASN 88 1HB ASN 88 -13.471 5.012 6.821 639 HB3 ASN 88 2HB ASN 88 -13.982 5.904 5.392 640 HD21 ASN 88 2HD2 ASN 88 -12.353 4.415 3.539 641 HD22 ASN 88 1HD2 ASN 88 -13.081 2.855 3.382 642 H ALA 89 H ALA 89 -9.832 7.186 5.518 643 HA ALA 89 HA ALA 89 -11.214 9.599 6.397 644 HB1 ALA 89 3HB ALA 89 -8.302 9.131 5.745 645 HB2 ALA 89 1HB ALA 89 -9.020 9.087 7.355 646 HB3 ALA 89 2HB ALA 89 -8.980 10.599 6.449 647 H VAL 90 H VAL 90 -9.643 8.211 3.590 648 HA VAL 90 HA VAL 90 -10.563 10.494 1.961 649 HB VAL 90 HB VAL 90 -8.545 8.353 1.243 650 HG11 VAL 90 1HG1 VAL 90 -9.715 9.217 -0.706 651 HG12 VAL 90 2HG1 VAL 90 -8.042 9.775 -0.689 652 HG13 VAL 90 3HG1 VAL 90 -9.341 10.869 -0.215 653 HG21 VAL 90 3HG2 VAL 90 -6.872 10.155 1.419 654 HG22 VAL 90 1HG2 VAL 90 -7.650 9.802 2.962 655 HG23 VAL 90 2HG2 VAL 90 -8.123 11.231 2.042 656 H ASN 91 H ASN 91 -12.383 10.154 0.850 657 HA ASN 91 HA ASN 91 -13.536 7.546 0.610 658 HB2 ASN 91 1HB ASN 91 -14.366 10.246 -0.451 659 HB3 ASN 91 2HB ASN 91 -15.257 8.773 -0.821 660 HD21 ASN 91 2HD2 ASN 91 -14.514 11.138 1.576 661 HD22 ASN 91 1HD2 ASN 91 -15.619 10.572 2.781 662 H GLU 92 H GLU 92 -13.254 6.113 -0.931 663 HA GLU 92 HA GLU 92 -11.587 6.870 -3.208 664 HB2 GLU 92 1HB GLU 92 -12.365 4.045 -2.833 665 HB3 GLU 92 2HB GLU 92 -10.803 4.742 -3.232 666 HG2 GLU 92 1HG GLU 92 -10.364 3.913 -1.155 667 HG3 GLU 92 2HG GLU 92 -10.872 5.549 -0.737 668 H GLY 93 H GLY 93 -12.071 6.399 -5.308 669 HA2 GLY 93 1HA GLY 93 -14.677 6.531 -6.275 670 HA3 GLY 93 2HA GLY 93 -13.288 5.966 -7.190 671 H ASN 94 H ASN 94 -13.012 3.818 -7.547 672 HA ASN 94 HA ASN 94 -15.331 2.181 -7.396 673 HB2 ASN 94 1HB ASN 94 -13.727 1.963 -9.221 674 HB3 ASN 94 2HB ASN 94 -12.472 1.475 -8.090 675 HD21 ASN 94 2HD2 ASN 94 -12.367 -0.612 -7.423 676 HD22 ASN 94 1HD2 ASN 94 -13.404 -1.868 -8.014 677 H GLU 95 H GLU 95 -12.538 2.584 -5.374 678 HA GLU 95 HA GLU 95 -12.381 2.232 -3.131 679 HB2 GLU 95 1HB GLU 95 -14.771 2.522 -2.925 680 HB3 GLU 95 2HB GLU 95 -15.053 0.863 -3.434 681 HG2 GLU 95 1HG GLU 95 -13.753 0.143 -1.404 682 HG3 GLU 95 2HG GLU 95 -13.814 1.824 -0.875 683 H SER 96 H SER 96 -13.818 -0.748 -4.507 684 HA SER 96 HA SER 96 -12.556 -2.423 -2.626 685 HB2 SER 96 1HB SER 96 -13.741 -3.139 -5.312 686 HB3 SER 96 2HB SER 96 -13.405 -4.265 -3.995 687 HG SER 96 HG SER 96 -14.810 -2.658 -2.753 688 H ASN 97 H ASN 97 -11.152 -0.836 -5.160 689 HA ASN 97 HA ASN 97 -9.173 -2.915 -5.708 690 HB2 ASN 97 1HB ASN 97 -8.320 -1.297 -7.401 691 HB3 ASN 97 2HB ASN 97 -10.004 -1.748 -7.654 692 HD21 ASN 97 2HD2 ASN 97 -7.821 0.786 -6.801 693 HD22 ASN 97 1HD2 ASN 97 -8.968 2.086 -6.887 694 H ASN 98 H ASN 98 -9.593 -0.984 -3.241 695 HA ASN 98 HA ASN 98 -6.996 0.300 -3.113 696 HB2 ASN 98 1HB ASN 98 -7.702 1.220 -1.029 697 HB3 ASN 98 2HB ASN 98 -9.103 1.276 -2.089 698 HD21 ASN 98 2HD2 ASN 98 -8.904 1.281 0.831 699 HD22 ASN 98 1HD2 ASN 98 -9.866 -0.052 1.371 700 H THR 99 H THR 99 -7.865 -2.783 -2.903 701 HA THR 99 HA THR 99 -5.961 -3.388 -0.749 702 HB THR 99 HB THR 99 -7.318 -5.671 -0.848 703 HG1 THR 99 HG1 THR 99 -9.307 -3.719 -1.457 704 HG21 THR 99 3HG2 THR 99 -8.664 -4.865 1.038 705 HG22 THR 99 1HG2 THR 99 -8.264 -3.202 0.610 706 HG23 THR 99 2HG2 THR 99 -6.996 -4.303 1.149 707 H LEU 100 H LEU 100 -4.152 -4.208 -1.456 708 HA LEU 100 HA LEU 100 -4.144 -5.760 -3.959 709 HB2 LEU 100 1HB LEU 100 -2.706 -3.812 -4.057 710 HB3 LEU 100 2HB LEU 100 -1.924 -4.272 -2.558 711 HG LEU 100 HG LEU 100 -1.148 -6.374 -3.785 712 HD11 LEU 100 1HD1 LEU 100 -0.985 -6.199 -6.209 713 HD12 LEU 100 2HD1 LEU 100 -1.915 -4.702 -6.171 714 HD13 LEU 100 3HD1 LEU 100 -2.670 -6.221 -5.685 715 HD21 LEU 100 3HD2 LEU 100 0.748 -5.202 -4.774 716 HD22 LEU 100 1HD2 LEU 100 0.329 -4.542 -3.195 717 HD23 LEU 100 2HD2 LEU 100 -0.134 -3.678 -4.661 718 H THR 101 H THR 101 -4.553 -7.802 -3.257 719 HA THR 101 HA THR 101 -2.926 -8.917 -1.115 720 HB THR 101 HB THR 101 -5.150 -10.165 -2.750 721 HG1 THR 101 HG1 THR 101 -5.021 -9.236 -0.048 722 HG21 THR 101 3HG2 THR 101 -5.063 -12.007 -1.129 723 HG22 THR 101 1HG2 THR 101 -3.655 -11.269 -0.366 724 HG23 THR 101 2HG2 THR 101 -3.548 -11.867 -2.021 725 H ALA 102 H ALA 102 -0.898 -9.163 -1.852 726 HA ALA 102 HA ALA 102 -0.531 -10.655 -4.367 727 HB1 ALA 102 3HB ALA 102 1.351 -8.671 -3.088 728 HB2 ALA 102 1HB ALA 102 0.325 -8.362 -4.488 729 HB3 ALA 102 2HB ALA 102 1.628 -9.545 -4.595 730 H LEU 103 H LEU 103 0.337 -12.596 -4.188 731 HA LEU 103 HA LEU 103 1.290 -13.536 -1.651 732 HB2 LEU 103 1HB LEU 103 1.046 -14.825 -4.354 733 HB3 LEU 103 2HB LEU 103 1.780 -15.644 -2.987 734 HG LEU 103 HG LEU 103 -1.066 -14.655 -3.135 735 HD11 LEU 103 1HD1 LEU 103 -1.617 -17.038 -3.108 736 HD12 LEU 103 2HD1 LEU 103 0.103 -17.430 -3.146 737 HD13 LEU 103 3HD1 LEU 103 -0.645 -16.612 -4.518 738 HD21 LEU 103 3HD2 LEU 103 0.376 -16.167 -0.958 739 HD22 LEU 103 1HD2 LEU 103 -1.350 -15.803 -0.993 740 HD23 LEU 103 2HD2 LEU 103 -0.174 -14.494 -0.870 741 H VAL 104 H VAL 104 3.219 -13.198 -0.954 742 HA VAL 104 HA VAL 104 5.417 -12.908 -2.887 743 HB VAL 104 HB VAL 104 6.684 -11.744 -1.173 744 HG11 VAL 104 1HG1 VAL 104 5.349 -9.713 -0.960 745 HG12 VAL 104 2HG1 VAL 104 3.897 -10.614 -1.397 746 HG13 VAL 104 3HG1 VAL 104 5.195 -10.410 -2.573 747 HG21 VAL 104 3HG2 VAL 104 5.616 -11.125 0.982 748 HG22 VAL 104 1HG2 VAL 104 5.936 -12.853 0.817 749 HG23 VAL 104 2HG2 VAL 104 4.300 -12.236 0.596 750 H GLY 105 H GLY 105 7.310 -14.113 -2.588 751 HA2 GLY 105 1HA GLY 105 6.925 -16.403 -0.764 752 HA3 GLY 105 2HA GLY 105 7.616 -16.563 -2.375 753 H THR 106 H THR 106 8.999 -17.517 -0.255 754 HA THR 106 HA THR 106 10.995 -15.607 0.519 755 HB THR 106 HB THR 106 12.245 -17.605 1.326 756 HG1 THR 106 HG1 THR 106 9.941 -19.144 0.730 757 HG21 THR 106 3HG2 THR 106 10.681 -16.459 2.803 758 HG22 THR 106 1HG2 THR 106 10.651 -18.196 3.105 759 HG23 THR 106 2HG2 THR 106 9.353 -17.439 2.181 760 H LEU 107 H LEU 107 12.803 -15.084 -0.557 761 HA LEU 107 HA LEU 107 13.003 -15.594 -3.293 762 HB2 LEU 107 1HB LEU 107 14.013 -13.650 -2.131 763 HB3 LEU 107 2HB LEU 107 15.205 -14.717 -1.419 764 HG LEU 107 HG LEU 107 16.092 -15.223 -3.658 765 HD11 LEU 107 1HD1 LEU 107 14.061 -14.931 -4.959 766 HD12 LEU 107 2HD1 LEU 107 15.354 -13.908 -5.588 767 HD13 LEU 107 3HD1 LEU 107 14.068 -13.203 -4.607 768 HD21 LEU 107 3HD2 LEU 107 17.058 -13.393 -2.367 769 HD22 LEU 107 1HD2 LEU 107 15.887 -12.273 -3.066 770 HD23 LEU 107 2HD2 LEU 107 17.097 -13.040 -4.094 771 H GLU 108 H GLU 108 13.896 -17.169 -4.460 772 HA GLU 108 HA GLU 108 14.796 -19.501 -3.051 773 HB2 GLU 108 1HB GLU 108 15.043 -20.270 -5.610 774 HB3 GLU 108 2HB GLU 108 13.524 -20.307 -4.734 775 HG2 GLU 108 1HG GLU 108 13.103 -19.376 -6.867 776 HG3 GLU 108 2HG GLU 108 12.997 -18.067 -5.698 777 H HIS 109 H HIS 109 16.310 -16.842 -3.700 778 HA HIS 109 HA HIS 109 18.908 -18.187 -3.773 779 HB2 HIS 109 1HB HIS 109 18.118 -15.740 -5.367 780 HB3 HIS 109 2HB HIS 109 19.795 -16.158 -5.035 781 HD1 HIS 109 HD1 HIS 109 16.830 -17.201 -7.061 782 HD2 HIS 109 HD2 HIS 109 20.789 -18.351 -6.485 783 HE1 HIS 109 HE1 HIS 109 17.365 -18.778 -8.948 784 HE2 HIS 109 HE2 HIS 109 19.724 -19.552 -8.517 785 H HIS 110 H HIS 110 20.628 -16.421 -3.001 786 HA HIS 110 HA HIS 110 19.340 -14.970 -0.780 787 HB2 HIS 110 1HB HIS 110 21.843 -16.652 -0.703 788 HB3 HIS 110 2HB HIS 110 21.412 -15.511 0.569 789 HD1 HIS 110 HD1 HIS 110 21.070 -18.968 -0.276 790 HD2 HIS 110 HD2 HIS 110 18.647 -16.145 1.593 791 HE1 HIS 110 HE1 HIS 110 19.328 -20.285 0.979 792 HE2 HIS 110 HE2 HIS 110 17.766 -18.556 1.941 793 H HIS 111 H HIS 111 20.493 -14.251 -3.517 794 HA HIS 111 HA HIS 111 21.965 -11.925 -2.489 795 HB2 HIS 111 1HB HIS 111 22.460 -13.451 -5.048 796 HB3 HIS 111 2HB HIS 111 23.065 -11.818 -4.782 797 HD1 HIS 111 HD1 HIS 111 24.745 -11.569 -2.675 798 HD2 HIS 111 HD2 HIS 111 24.044 -15.429 -4.059 799 HE1 HIS 111 HE1 HIS 111 26.621 -12.975 -1.752 800 HE2 HIS 111 HE2 HIS 111 26.254 -15.275 -2.725 801 H HIS 112 H HIS 112 20.213 -10.606 -2.347 802 HA HIS 112 HA HIS 112 18.485 -10.292 -4.683 803 HB2 HIS 112 1HB HIS 112 17.562 -10.379 -2.326 804 HB3 HIS 112 2HB HIS 112 18.326 -8.819 -2.041 805 HD1 HIS 112 HD1 HIS 112 17.163 -6.743 -2.975 806 HD2 HIS 112 HD2 HIS 112 15.344 -10.315 -4.100 807 HE1 HIS 112 HE1 HIS 112 14.959 -6.095 -3.992 808 HE2 HIS 112 HE2 HIS 112 13.982 -8.248 -4.863 809 H HIS 113 H HIS 113 19.953 -9.361 -6.128 810 HA HIS 113 HA HIS 113 21.181 -6.820 -5.348 811 HB2 HIS 113 1HB HIS 113 22.520 -8.694 -6.444 812 HB3 HIS 113 2HB HIS 113 21.634 -8.337 -7.921 813 HD1 HIS 113 HD1 HIS 113 24.356 -7.080 -5.735 814 HD2 HIS 113 HD2 HIS 113 22.322 -5.874 -9.153 815 HE1 HIS 113 HE1 HIS 113 25.713 -5.193 -6.701 816 HE2 HIS 113 HE2 HIS 113 24.333 -4.330 -8.627 817 H HIS 114 H HIS 114 20.367 -4.951 -5.980 818 HA HIS 114 HA HIS 114 18.976 -4.716 -8.515 819 HB2 HIS 114 1HB HIS 114 17.149 -5.279 -6.992 820 HB3 HIS 114 2HB HIS 114 17.657 -4.018 -5.877 821 HD1 HIS 114 HD1 HIS 114 16.233 -4.390 -9.381 822 HD2 HIS 114 HD2 HIS 114 16.504 -1.589 -6.314 823 HE1 HIS 114 HE1 HIS 114 14.782 -2.461 -10.088 824 HE2 HIS 114 HE2 HIS 114 14.774 -0.898 -8.110 Start of MODEL 13 1 H1 MET 1 1H MET 1 -15.211 15.445 -9.796 2 H2 MET 1 2H MET 1 -15.613 15.369 -8.146 3 H3 MET 1 3H MET 1 -15.464 13.944 -9.047 4 HA MET 1 HA MET 1 -13.119 14.372 -9.385 5 HB2 MET 1 1HB MET 1 -13.657 16.712 -7.545 6 HB3 MET 1 2HB MET 1 -12.054 16.114 -7.945 7 HG2 MET 1 1HG MET 1 -12.499 16.616 -10.317 8 HG3 MET 1 2HG MET 1 -14.053 17.305 -9.850 9 HE1 MET 1 3HE MET 1 -10.636 17.520 -7.899 10 HE2 MET 1 1HE MET 1 -9.971 19.020 -8.542 11 HE3 MET 1 2HE MET 1 -10.153 17.614 -9.593 12 H ILE 2 H ILE 2 -13.507 12.308 -8.417 13 HA ILE 2 HA ILE 2 -13.188 12.343 -5.486 14 HB ILE 2 HB ILE 2 -15.306 11.302 -6.375 15 HG12 ILE 2 1HG1 ILE 2 -13.501 9.342 -4.947 16 HG13 ILE 2 2HG1 ILE 2 -14.289 10.709 -4.164 17 HG21 ILE 2 1HG2 ILE 2 -15.170 9.070 -7.383 18 HG22 ILE 2 2HG2 ILE 2 -13.412 9.215 -7.448 19 HG23 ILE 2 3HG2 ILE 2 -14.424 10.303 -8.400 20 HD11 ILE 2 3HD1 ILE 2 -16.469 9.780 -4.722 21 HD12 ILE 2 1HD1 ILE 2 -15.504 8.639 -3.785 22 HD13 ILE 2 2HD1 ILE 2 -15.686 8.418 -5.525 23 HA PRO 3 HA PRO 3 -9.247 10.392 -6.283 24 HB2 PRO 3 1HB PRO 3 -8.687 9.510 -3.788 25 HB3 PRO 3 2HB PRO 3 -8.576 11.213 -4.245 26 HG2 PRO 3 1HG PRO 3 -10.734 9.783 -2.757 27 HG3 PRO 3 2HG PRO 3 -10.065 11.402 -2.488 28 HD2 PRO 3 1HD PRO 3 -12.432 10.915 -3.784 29 HD3 PRO 3 2HD PRO 3 -11.434 12.355 -4.052 30 H ASP 4 H ASP 4 -8.271 8.336 -6.371 31 HA ASP 4 HA ASP 4 -9.839 6.007 -5.618 32 HB2 ASP 4 1HB ASP 4 -10.565 6.602 -7.933 33 HB3 ASP 4 2HB ASP 4 -8.891 6.518 -8.460 34 H LEU 5 H LEU 5 -8.273 5.151 -4.282 35 HA LEU 5 HA LEU 5 -5.479 5.520 -5.136 36 HB2 LEU 5 1HB LEU 5 -6.510 4.616 -2.441 37 HB3 LEU 5 2HB LEU 5 -4.885 5.146 -2.828 38 HG LEU 5 HG LEU 5 -7.324 6.921 -2.889 39 HD11 LEU 5 1HD1 LEU 5 -5.129 6.707 -0.835 40 HD12 LEU 5 2HD1 LEU 5 -6.803 6.196 -0.618 41 HD13 LEU 5 3HD1 LEU 5 -6.425 7.905 -0.846 42 HD21 LEU 5 3HD2 LEU 5 -5.725 8.732 -3.079 43 HD22 LEU 5 1HD2 LEU 5 -5.536 7.601 -4.419 44 HD23 LEU 5 2HD2 LEU 5 -4.395 7.578 -3.076 45 H VAL 6 H VAL 6 -4.328 3.855 -5.795 46 HA VAL 6 HA VAL 6 -5.413 1.158 -5.315 47 HB VAL 6 HB VAL 6 -3.986 2.011 -7.832 48 HG11 VAL 6 1HG1 VAL 6 -5.802 -0.320 -7.241 49 HG12 VAL 6 2HG1 VAL 6 -4.048 -0.380 -7.410 50 HG13 VAL 6 3HG1 VAL 6 -5.053 0.038 -8.797 51 HG21 VAL 6 3HG2 VAL 6 -5.982 3.415 -7.577 52 HG22 VAL 6 1HG2 VAL 6 -6.970 1.963 -7.383 53 HG23 VAL 6 2HG2 VAL 6 -6.154 2.274 -8.916 54 HA PRO 7 HA PRO 7 -1.060 0.261 -4.483 55 HB2 PRO 7 1HB PRO 7 -1.732 -2.442 -3.892 56 HB3 PRO 7 2HB PRO 7 -1.400 -1.147 -2.741 57 HG2 PRO 7 1HG PRO 7 -3.863 -2.385 -3.080 58 HG3 PRO 7 2HG PRO 7 -3.609 -0.805 -2.320 59 HD2 PRO 7 1HD PRO 7 -4.474 -1.451 -5.111 60 HD3 PRO 7 2HD PRO 7 -5.016 -0.144 -4.034 61 H VAL 8 H VAL 8 0.007 0.138 -6.353 62 HA VAL 8 HA VAL 8 -1.082 -1.291 -8.593 63 HB VAL 8 HB VAL 8 1.640 -0.014 -8.555 64 HG11 VAL 8 1HG1 VAL 8 1.021 -1.221 -10.563 65 HG12 VAL 8 2HG1 VAL 8 1.073 0.514 -10.886 66 HG13 VAL 8 3HG1 VAL 8 -0.479 -0.299 -10.679 67 HG21 VAL 8 3HG2 VAL 8 -0.998 1.423 -8.828 68 HG22 VAL 8 1HG2 VAL 8 0.588 2.129 -9.138 69 HG23 VAL 8 2HG2 VAL 8 0.161 1.602 -7.511 70 H SER 9 H SER 9 2.119 -1.385 -7.026 71 HA SER 9 HA SER 9 2.085 -4.268 -7.044 72 HB2 SER 9 1HB SER 9 2.945 -3.562 -9.334 73 HB3 SER 9 2HB SER 9 4.323 -2.843 -8.502 74 HG SER 9 HG SER 9 3.575 -5.559 -8.702 75 H LEU 10 H LEU 10 3.790 -5.149 -5.722 76 HA LEU 10 HA LEU 10 5.263 -3.144 -4.192 77 HB2 LEU 10 1HB LEU 10 4.796 -4.090 -2.126 78 HB3 LEU 10 2HB LEU 10 3.256 -4.059 -2.951 79 HG LEU 10 HG LEU 10 3.962 -6.565 -3.543 80 HD11 LEU 10 1HD1 LEU 10 6.114 -6.469 -2.432 81 HD12 LEU 10 2HD1 LEU 10 5.044 -7.575 -1.570 82 HD13 LEU 10 3HD1 LEU 10 5.342 -5.956 -0.931 83 HD21 LEU 10 3HD2 LEU 10 2.624 -7.253 -1.617 84 HD22 LEU 10 1HD2 LEU 10 1.919 -5.856 -2.431 85 HD23 LEU 10 2HD2 LEU 10 2.807 -5.643 -0.921 86 H THR 11 H THR 11 7.302 -3.478 -4.006 87 HA THR 11 HA THR 11 8.428 -6.047 -4.886 88 HB THR 11 HB THR 11 10.389 -4.505 -5.670 89 HG1 THR 11 HG1 THR 11 9.833 -2.463 -5.303 90 HG21 THR 11 3HG2 THR 11 7.803 -4.729 -7.212 91 HG22 THR 11 1HG2 THR 11 9.081 -5.943 -7.143 92 HG23 THR 11 2HG2 THR 11 9.387 -4.383 -7.905 93 HA PRO 12 HA PRO 12 10.150 -7.091 -4.895 94 HB2 PRO 12 1HB PRO 12 11.386 -9.056 -3.571 95 HB3 PRO 12 2HB PRO 12 12.245 -7.591 -4.059 96 HG2 PRO 12 1HG PRO 12 11.275 -8.410 -1.373 97 HG3 PRO 12 2HG PRO 12 12.691 -7.442 -1.812 98 HD2 PRO 12 1HD PRO 12 10.178 -6.486 -0.925 99 HD3 PRO 12 2HD PRO 12 11.522 -5.524 -1.568 100 H VAL 13 H VAL 13 9.517 -9.441 -5.117 101 HA VAL 13 HA VAL 13 7.041 -9.905 -3.608 102 HB VAL 13 HB VAL 13 6.416 -11.489 -5.340 103 HG11 VAL 13 1HG1 VAL 13 7.409 -8.881 -6.480 104 HG12 VAL 13 2HG1 VAL 13 5.855 -9.155 -5.691 105 HG13 VAL 13 3HG1 VAL 13 6.214 -9.940 -7.229 106 HG21 VAL 13 3HG2 VAL 13 9.084 -10.853 -6.598 107 HG22 VAL 13 1HG2 VAL 13 7.797 -11.800 -7.345 108 HG23 VAL 13 2HG2 VAL 13 8.599 -12.396 -5.893 109 H THR 14 H THR 14 10.244 -10.998 -3.737 110 HA THR 14 HA THR 14 9.490 -13.327 -2.093 111 HB THR 14 HB THR 14 12.226 -13.336 -3.140 112 HG1 THR 14 HG1 THR 14 11.718 -12.897 -5.147 113 HG21 THR 14 3HG2 THR 14 9.986 -15.349 -3.285 114 HG22 THR 14 1HG2 THR 14 11.214 -15.262 -2.020 115 HG23 THR 14 2HG2 THR 14 11.679 -15.661 -3.673 116 H VAL 15 H VAL 15 10.796 -13.656 -0.159 117 HA VAL 15 HA VAL 15 12.589 -11.442 0.553 118 HB VAL 15 HB VAL 15 11.489 -11.250 2.786 119 HG11 VAL 15 1HG1 VAL 15 9.596 -9.888 2.034 120 HG12 VAL 15 2HG1 VAL 15 9.732 -10.596 0.425 121 HG13 VAL 15 3HG1 VAL 15 11.038 -9.595 1.060 122 HG21 VAL 15 3HG2 VAL 15 10.352 -13.397 2.829 123 HG22 VAL 15 1HG2 VAL 15 9.322 -12.898 1.487 124 HG23 VAL 15 2HG2 VAL 15 9.196 -12.084 3.047 125 H VAL 16 H VAL 16 13.930 -11.879 2.404 126 HA VAL 16 HA VAL 16 14.423 -14.726 2.763 127 HB VAL 16 HB VAL 16 16.551 -13.837 3.884 128 HG11 VAL 16 1HG1 VAL 16 16.100 -13.395 0.939 129 HG12 VAL 16 2HG1 VAL 16 16.541 -14.922 1.706 130 HG13 VAL 16 3HG1 VAL 16 17.674 -13.569 1.717 131 HG21 VAL 16 3HG2 VAL 16 15.827 -11.527 4.163 132 HG22 VAL 16 1HG2 VAL 16 15.703 -11.352 2.412 133 HG23 VAL 16 2HG2 VAL 16 17.278 -11.617 3.163 134 HA PRO 17 HA PRO 17 12.955 -14.470 6.935 135 HB2 PRO 17 1HB PRO 17 14.200 -16.968 7.588 136 HB3 PRO 17 2HB PRO 17 12.509 -16.668 7.187 137 HG2 PRO 17 1HG PRO 17 14.248 -18.105 5.611 138 HG3 PRO 17 2HG PRO 17 12.788 -17.295 5.015 139 HD2 PRO 17 1HD PRO 17 15.640 -16.390 4.905 140 HD3 PRO 17 2HD PRO 17 14.362 -16.253 3.677 141 H ASN 18 H ASN 18 13.681 -14.492 9.157 142 HA ASN 18 HA ASN 18 15.090 -14.219 10.915 143 HB2 ASN 18 1HB ASN 18 17.319 -15.048 9.041 144 HB3 ASN 18 2HB ASN 18 17.434 -14.917 10.791 145 HD21 ASN 18 2HD2 ASN 18 16.338 -16.793 8.125 146 HD22 ASN 18 1HD2 ASN 18 15.849 -18.191 9.024 147 H THR 19 H THR 19 14.526 -12.120 8.856 148 HA THR 19 HA THR 19 16.269 -10.128 9.937 149 HB THR 19 HB THR 19 17.658 -11.194 8.104 150 HG1 THR 19 HG1 THR 19 18.250 -9.159 8.690 151 HG21 THR 19 3HG2 THR 19 15.605 -9.867 6.331 152 HG22 THR 19 1HG2 THR 19 15.890 -11.601 6.478 153 HG23 THR 19 2HG2 THR 19 17.134 -10.558 5.787 154 H VAL 20 H VAL 20 15.699 -7.939 9.144 155 HA VAL 20 HA VAL 20 12.886 -7.805 8.345 156 HB VAL 20 HB VAL 20 14.671 -5.490 9.124 157 HG11 VAL 20 1HG1 VAL 20 11.666 -5.783 9.022 158 HG12 VAL 20 2HG1 VAL 20 12.666 -4.866 7.894 159 HG13 VAL 20 3HG1 VAL 20 12.542 -4.354 9.577 160 HG21 VAL 20 3HG2 VAL 20 14.587 -7.081 10.970 161 HG22 VAL 20 1HG2 VAL 20 12.825 -7.095 10.885 162 HG23 VAL 20 2HG2 VAL 20 13.673 -5.622 11.354 163 H ASN 21 H ASN 21 12.266 -7.183 6.387 164 HA ASN 21 HA ASN 21 14.308 -6.115 4.557 165 HB2 ASN 21 1HB ASN 21 12.929 -7.231 2.733 166 HB3 ASN 21 2HB ASN 21 13.836 -8.310 3.788 167 HD21 ASN 21 2HD2 ASN 21 12.759 -9.681 5.147 168 HD22 ASN 21 1HD2 ASN 21 11.051 -9.919 5.085 169 H THR 22 H THR 22 13.583 -4.641 2.970 170 HA THR 22 HA THR 22 11.334 -3.040 3.922 171 HB THR 22 HB THR 22 13.510 -2.354 1.937 172 HG1 THR 22 HG1 THR 22 13.151 -1.862 4.721 173 HG21 THR 22 3HG2 THR 22 11.454 -1.079 1.551 174 HG22 THR 22 1HG2 THR 22 12.729 -0.047 2.201 175 HG23 THR 22 2HG2 THR 22 11.424 -0.605 3.250 176 H MET 23 H MET 23 9.454 -3.547 3.045 177 HA MET 23 HA MET 23 9.293 -4.438 0.270 178 HB2 MET 23 1HB MET 23 7.058 -4.141 2.288 179 HB3 MET 23 2HB MET 23 6.999 -5.022 0.768 180 HG2 MET 23 1HG MET 23 8.715 -5.732 3.136 181 HG3 MET 23 2HG MET 23 7.196 -6.509 2.692 182 HE1 MET 23 3HE MET 23 7.081 -7.046 -0.209 183 HE2 MET 23 1HE MET 23 6.957 -8.367 0.952 184 HE3 MET 23 2HE MET 23 8.020 -8.519 -0.447 185 H THR 24 H THR 24 8.809 -3.080 -1.336 186 HA THR 24 HA THR 24 7.840 -0.399 -0.602 187 HB THR 24 HB THR 24 9.229 -1.211 -3.162 188 HG1 THR 24 HG1 THR 24 10.209 -0.766 -0.646 189 HG21 THR 24 3HG2 THR 24 7.920 0.839 -3.342 190 HG22 THR 24 1HG2 THR 24 9.642 1.213 -3.361 191 HG23 THR 24 2HG2 THR 24 8.698 1.481 -1.897 192 H ALA 25 H ALA 25 5.650 -0.472 -0.738 193 HA ALA 25 HA ALA 25 4.411 -1.616 -3.131 194 HB1 ALA 25 3HB ALA 25 3.430 -2.226 -0.978 195 HB2 ALA 25 1HB ALA 25 2.290 -1.303 -1.958 196 HB3 ALA 25 2HB ALA 25 3.139 -0.523 -0.624 197 H THR 26 H THR 26 3.914 -0.338 -4.799 198 HA THR 26 HA THR 26 4.032 2.545 -4.471 199 HB THR 26 HB THR 26 3.455 0.990 -6.997 200 HG1 THR 26 HG1 THR 26 5.508 0.516 -7.057 201 HG21 THR 26 3HG2 THR 26 4.294 3.000 -8.114 202 HG22 THR 26 1HG2 THR 26 4.540 3.775 -6.551 203 HG23 THR 26 2HG2 THR 26 2.909 3.381 -7.091 204 H ILE 27 H ILE 27 2.298 3.744 -4.055 205 HA ILE 27 HA ILE 27 -0.367 2.617 -4.624 206 HB ILE 27 HB ILE 27 0.245 4.932 -2.786 207 HG12 ILE 27 1HG1 ILE 27 1.399 3.009 -1.874 208 HG13 ILE 27 2HG1 ILE 27 -0.039 3.323 -0.911 209 HG21 ILE 27 1HG2 ILE 27 -1.975 4.420 -1.865 210 HG22 ILE 27 2HG2 ILE 27 -2.170 3.157 -3.080 211 HG23 ILE 27 3HG2 ILE 27 -2.037 4.845 -3.576 212 HD11 ILE 27 3HD1 ILE 27 0.190 1.212 -3.042 213 HD12 ILE 27 1HD1 ILE 27 -1.190 1.487 -1.977 214 HD13 ILE 27 2HD1 ILE 27 0.349 0.937 -1.307 215 H GLU 28 H GLU 28 -1.321 3.429 -6.376 216 HA GLU 28 HA GLU 28 -0.561 6.139 -7.235 217 HB2 GLU 28 1HB GLU 28 0.070 4.416 -8.836 218 HB3 GLU 28 2HB GLU 28 -1.581 3.815 -8.874 219 HG2 GLU 28 1HG GLU 28 -2.358 5.743 -9.983 220 HG3 GLU 28 2HG GLU 28 -0.852 6.610 -9.687 221 H ASN 29 H ASN 29 -2.042 7.665 -7.252 222 HA ASN 29 HA ASN 29 -4.798 7.000 -6.595 223 HB2 ASN 29 1HB ASN 29 -3.811 8.827 -5.359 224 HB3 ASN 29 2HB ASN 29 -3.333 9.635 -6.847 225 HD21 ASN 29 2HD2 ASN 29 -4.408 11.483 -6.212 226 HD22 ASN 29 1HD2 ASN 29 -6.136 11.622 -6.275 227 H GLN 30 H GLN 30 -5.774 6.207 -8.358 228 HA GLN 30 HA GLN 30 -5.301 7.441 -10.960 229 HB2 GLN 30 1HB GLN 30 -6.852 4.944 -10.245 230 HB3 GLN 30 2HB GLN 30 -6.402 5.462 -11.865 231 HG2 GLN 30 1HG GLN 30 -4.028 5.245 -11.245 232 HG3 GLN 30 2HG GLN 30 -4.521 4.637 -9.666 233 HE21 GLN 30 2HE2 GLN 30 -2.916 3.347 -11.684 234 HE22 GLN 30 1HE2 GLN 30 -3.748 1.882 -12.111 235 H GLY 31 H GLY 31 -6.674 9.064 -9.246 236 HA2 GLY 31 1HA GLY 31 -9.248 9.275 -10.628 237 HA3 GLY 31 2HA GLY 31 -9.249 9.271 -8.867 238 H ASN 32 H ASN 32 -10.111 11.410 -10.637 239 HA ASN 32 HA ASN 32 -7.933 13.317 -10.684 240 HB2 ASN 32 1HB ASN 32 -9.494 13.108 -12.602 241 HB3 ASN 32 2HB ASN 32 -10.797 13.699 -11.579 242 HD21 ASN 32 2HD2 ASN 32 -11.049 15.842 -11.327 243 HD22 ASN 32 1HD2 ASN 32 -9.994 17.054 -11.988 244 H LYS 33 H LYS 33 -8.123 12.911 -8.176 245 HA LYS 33 HA LYS 33 -8.583 15.602 -7.330 246 HB2 LYS 33 1HB LYS 33 -10.797 14.645 -6.794 247 HB3 LYS 33 2HB LYS 33 -10.015 13.394 -5.831 248 HG2 LYS 33 1HG LYS 33 -9.095 15.117 -4.351 249 HG3 LYS 33 2HG LYS 33 -9.911 16.358 -5.299 250 HD2 LYS 33 1HD LYS 33 -12.071 15.361 -4.725 251 HD3 LYS 33 2HD LYS 33 -11.238 14.133 -3.766 252 HE2 LYS 33 1HE LYS 33 -12.094 15.927 -2.348 253 HE3 LYS 33 2HE LYS 33 -10.332 15.868 -2.311 254 HZ1 LYS 33 3HZ LYS 33 -10.952 18.132 -2.507 255 HZ2 LYS 33 1HZ LYS 33 -12.048 17.810 -3.764 256 HZ3 LYS 33 2HZ LYS 33 -10.381 17.674 -4.033 257 H ASP 34 H ASP 34 -7.097 16.178 -5.854 258 HA ASP 34 HA ASP 34 -5.014 14.336 -5.193 259 HB2 ASP 34 1HB ASP 34 -5.498 17.086 -4.022 260 HB3 ASP 34 2HB ASP 34 -3.980 16.193 -4.031 261 H SER 35 H SER 35 -5.184 12.841 -3.669 262 HA SER 35 HA SER 35 -7.170 13.087 -1.586 263 HB2 SER 35 1HB SER 35 -6.297 10.784 -0.955 264 HB3 SER 35 2HB SER 35 -7.004 10.928 -2.565 265 HG SER 35 HG SER 35 -4.380 11.499 -2.663 266 H THR 36 H THR 36 -6.786 13.157 0.599 267 HA THR 36 HA THR 36 -4.366 14.523 1.354 268 HB THR 36 HB THR 36 -5.610 14.486 3.645 269 HG1 THR 36 HG1 THR 36 -7.240 13.069 3.383 270 HG21 THR 36 3HG2 THR 36 -6.979 16.398 2.960 271 HG22 THR 36 1HG2 THR 36 -6.766 15.949 1.268 272 HG23 THR 36 2HG2 THR 36 -5.378 16.468 2.224 273 H SER 37 H SER 37 -3.975 13.814 3.931 274 HA SER 37 HA SER 37 -2.228 11.680 3.815 275 HB2 SER 37 1HB SER 37 -2.179 13.459 5.526 276 HB3 SER 37 2HB SER 37 -3.637 12.792 6.255 277 HG SER 37 HG SER 37 -1.393 12.196 7.079 278 H PHE 38 H PHE 38 -2.372 9.550 4.044 279 HA PHE 38 HA PHE 38 -4.734 8.348 5.267 280 HB2 PHE 38 1HB PHE 38 -5.070 6.788 3.407 281 HB3 PHE 38 2HB PHE 38 -5.285 8.451 2.873 282 HD1 PHE 38 HD1 PHE 38 -3.166 5.480 2.687 283 HD2 PHE 38 HD2 PHE 38 -3.753 9.459 1.301 284 HE1 PHE 38 HE1 PHE 38 -1.534 5.094 0.892 285 HE2 PHE 38 HE2 PHE 38 -2.118 9.074 -0.498 286 HZ PHE 38 HZ PHE 38 -1.003 6.877 -0.693 287 H ASN 39 H ASN 39 -4.399 6.026 5.728 288 HA ASN 39 HA ASN 39 -1.546 5.572 6.349 289 HB2 ASN 39 1HB ASN 39 -3.978 4.393 7.707 290 HB3 ASN 39 2HB ASN 39 -2.306 4.249 8.238 291 HD21 ASN 39 2HD2 ASN 39 -5.077 6.334 7.982 292 HD22 ASN 39 1HD2 ASN 39 -4.503 7.555 9.067 293 H VAL 40 H VAL 40 -0.633 4.134 4.968 294 HA VAL 40 HA VAL 40 -2.327 1.982 3.908 295 HB VAL 40 HB VAL 40 0.056 3.412 2.863 296 HG11 VAL 40 1HG1 VAL 40 -0.382 0.481 2.263 297 HG12 VAL 40 2HG1 VAL 40 0.999 1.159 3.123 298 HG13 VAL 40 3HG1 VAL 40 0.740 1.551 1.424 299 HG21 VAL 40 3HG2 VAL 40 -2.212 3.675 1.978 300 HG22 VAL 40 1HG2 VAL 40 -2.226 1.967 1.539 301 HG23 VAL 40 2HG2 VAL 40 -1.083 3.064 0.765 302 H SER 41 H SER 41 -2.145 -0.019 4.581 303 HA SER 41 HA SER 41 0.110 -0.667 6.362 304 HB2 SER 41 1HB SER 41 -2.753 -1.612 6.633 305 HB3 SER 41 2HB SER 41 -1.426 -1.941 7.748 306 HG SER 41 HG SER 41 -2.469 0.629 7.130 307 H LEU 42 H LEU 42 0.906 -2.758 6.316 308 HA LEU 42 HA LEU 42 0.131 -4.327 3.960 309 HB2 LEU 42 1HB LEU 42 2.510 -3.666 4.176 310 HB3 LEU 42 2HB LEU 42 2.597 -4.544 5.691 311 HG LEU 42 HG LEU 42 2.105 -6.643 4.473 312 HD11 LEU 42 1HD1 LEU 42 2.230 -6.673 2.039 313 HD12 LEU 42 2HD1 LEU 42 2.358 -4.913 2.018 314 HD13 LEU 42 3HD1 LEU 42 0.879 -5.685 2.595 315 HD21 LEU 42 3HD2 LEU 42 4.402 -6.020 4.944 316 HD22 LEU 42 1HD2 LEU 42 4.468 -5.078 3.455 317 HD23 LEU 42 2HD2 LEU 42 4.287 -6.831 3.381 318 H LEU 43 H LEU 43 -1.188 -5.962 4.300 319 HA LEU 43 HA LEU 43 -1.306 -7.168 6.973 320 HB2 LEU 43 1HB LEU 43 -3.217 -7.448 4.648 321 HB3 LEU 43 2HB LEU 43 -3.434 -8.153 6.237 322 HG LEU 43 HG LEU 43 -3.324 -5.667 7.046 323 HD11 LEU 43 1HD1 LEU 43 -4.176 -5.311 4.189 324 HD12 LEU 43 2HD1 LEU 43 -2.694 -4.693 4.919 325 HD13 LEU 43 3HD1 LEU 43 -4.261 -4.088 5.456 326 HD21 LEU 43 3HD2 LEU 43 -5.712 -6.803 5.607 327 HD22 LEU 43 1HD2 LEU 43 -5.750 -5.500 6.796 328 HD23 LEU 43 2HD2 LEU 43 -5.254 -7.122 7.280 329 H VAL 44 H VAL 44 -0.489 -9.127 7.322 330 HA VAL 44 HA VAL 44 0.327 -10.712 4.979 331 HB VAL 44 HB VAL 44 1.368 -10.842 7.820 332 HG11 VAL 44 1HG1 VAL 44 1.421 -13.033 6.750 333 HG12 VAL 44 2HG1 VAL 44 3.053 -12.384 6.919 334 HG13 VAL 44 3HG1 VAL 44 2.245 -12.344 5.352 335 HG21 VAL 44 3HG2 VAL 44 2.673 -9.845 5.291 336 HG22 VAL 44 1HG2 VAL 44 3.433 -9.943 6.879 337 HG23 VAL 44 2HG2 VAL 44 2.084 -8.837 6.613 338 H ASP 45 H ASP 45 -1.313 -11.992 4.513 339 HA ASP 45 HA ASP 45 -2.725 -13.751 4.596 340 HB2 ASP 45 1HB ASP 45 -0.991 -14.435 6.963 341 HB3 ASP 45 2HB ASP 45 -2.305 -15.479 6.429 342 H GLY 46 H GLY 46 -3.101 -11.228 6.418 343 HA2 GLY 46 1HA GLY 46 -5.641 -11.103 6.859 344 HA3 GLY 46 2HA GLY 46 -5.277 -12.338 8.052 345 H ILE 47 H ILE 47 -2.755 -11.202 8.898 346 HA ILE 47 HA ILE 47 -3.925 -9.147 10.642 347 HB ILE 47 HB ILE 47 -1.258 -10.454 11.082 348 HG12 ILE 47 1HG1 ILE 47 -3.936 -11.520 12.016 349 HG13 ILE 47 2HG1 ILE 47 -2.959 -12.242 10.741 350 HG21 ILE 47 1HG2 ILE 47 -1.788 -8.522 12.454 351 HG22 ILE 47 2HG2 ILE 47 -1.759 -9.987 13.436 352 HG23 ILE 47 3HG2 ILE 47 -3.300 -9.277 12.956 353 HD11 ILE 47 3HD1 ILE 47 -1.182 -12.675 12.366 354 HD12 ILE 47 1HD1 ILE 47 -2.700 -13.449 12.820 355 HD13 ILE 47 2HD1 ILE 47 -2.184 -11.973 13.637 356 H VAL 48 H VAL 48 -2.781 -7.227 11.123 357 HA VAL 48 HA VAL 48 -1.256 -6.210 8.856 358 HB VAL 48 HB VAL 48 -2.180 -4.760 11.349 359 HG11 VAL 48 1HG1 VAL 48 -1.772 -2.724 10.056 360 HG12 VAL 48 2HG1 VAL 48 -1.151 -3.696 8.721 361 HG13 VAL 48 3HG1 VAL 48 -0.296 -3.667 10.265 362 HG21 VAL 48 3HG2 VAL 48 -3.432 -4.780 8.607 363 HG22 VAL 48 1HG2 VAL 48 -3.988 -3.871 10.010 364 HG23 VAL 48 2HG2 VAL 48 -4.059 -5.633 10.017 365 H VAL 49 H VAL 49 0.911 -6.033 8.863 366 HA VAL 49 HA VAL 49 2.290 -6.549 11.398 367 HB VAL 49 HB VAL 49 4.328 -6.918 10.007 368 HG11 VAL 49 1HG1 VAL 49 3.613 -9.113 9.168 369 HG12 VAL 49 2HG1 VAL 49 1.928 -8.630 9.371 370 HG13 VAL 49 3HG1 VAL 49 2.978 -8.781 10.780 371 HG21 VAL 49 3HG2 VAL 49 4.059 -7.276 7.595 372 HG22 VAL 49 1HG2 VAL 49 3.703 -5.608 8.043 373 HG23 VAL 49 2HG2 VAL 49 2.386 -6.729 7.703 374 H ASP 50 H ASP 50 2.124 -4.161 8.795 375 HA ASP 50 HA ASP 50 3.428 -2.234 10.531 376 HB2 ASP 50 1HB ASP 50 5.285 -3.346 9.302 377 HB3 ASP 50 2HB ASP 50 4.555 -2.831 7.785 378 H THR 51 H THR 51 3.087 -0.079 9.925 379 HA THR 51 HA THR 51 1.167 0.380 7.746 380 HB THR 51 HB THR 51 0.915 1.426 10.577 381 HG1 THR 51 HG1 THR 51 -1.027 -0.110 9.204 382 HG21 THR 51 3HG2 THR 51 0.227 3.115 8.948 383 HG22 THR 51 1HG2 THR 51 -1.169 2.473 9.810 384 HG23 THR 51 2HG2 THR 51 -0.830 1.942 8.163 385 H GLN 52 H GLN 52 1.754 2.060 6.484 386 HA GLN 52 HA GLN 52 3.588 4.059 7.646 387 HB2 GLN 52 1HB GLN 52 4.528 2.527 5.817 388 HB3 GLN 52 2HB GLN 52 3.454 3.373 4.712 389 HG2 GLN 52 1HG GLN 52 4.878 5.320 6.201 390 HG3 GLN 52 2HG GLN 52 6.034 4.126 5.613 391 HE21 GLN 52 2HE2 GLN 52 3.777 6.606 4.738 392 HE22 GLN 52 1HE2 GLN 52 4.233 6.718 3.072 393 H THR 53 H THR 53 2.667 5.968 7.870 394 HA THR 53 HA THR 53 0.201 6.607 6.535 395 HB THR 53 HB THR 53 1.893 8.375 8.315 396 HG1 THR 53 HG1 THR 53 -0.380 6.914 9.177 397 HG21 THR 53 3HG2 THR 53 -1.041 8.466 7.595 398 HG22 THR 53 1HG2 THR 53 0.199 9.583 7.030 399 HG23 THR 53 2HG2 THR 53 -0.234 9.537 8.740 400 H VAL 54 H VAL 54 0.006 7.684 4.687 401 HA VAL 54 HA VAL 54 2.384 8.915 3.495 402 HB VAL 54 HB VAL 54 -0.311 8.354 2.238 403 HG11 VAL 54 1HG1 VAL 54 2.325 9.133 0.997 404 HG12 VAL 54 2HG1 VAL 54 0.888 10.146 1.116 405 HG13 VAL 54 3HG1 VAL 54 0.866 8.698 0.110 406 HG21 VAL 54 3HG2 VAL 54 0.769 6.451 1.150 407 HG22 VAL 54 1HG2 VAL 54 0.809 6.285 2.906 408 HG23 VAL 54 2HG2 VAL 54 2.259 6.784 2.035 409 H THR 55 H THR 55 2.582 11.071 3.331 410 HA THR 55 HA THR 55 1.029 12.806 4.843 411 HB THR 55 HB THR 55 2.184 14.583 3.330 412 HG1 THR 55 HG1 THR 55 3.106 13.688 1.640 413 HG21 THR 55 3HG2 THR 55 2.912 14.023 5.596 414 HG22 THR 55 1HG2 THR 55 4.299 14.264 4.533 415 HG23 THR 55 2HG2 THR 55 3.798 12.631 4.973 416 H SER 56 H SER 56 0.962 12.189 1.369 417 HA SER 56 HA SER 56 -1.771 12.638 1.061 418 HB2 SER 56 1HB SER 56 -1.614 14.768 -0.321 419 HB3 SER 56 2HB SER 56 -1.419 14.982 1.418 420 HG SER 56 HG SER 56 0.174 15.933 -0.291 421 H LEU 57 H LEU 57 -2.430 12.352 -1.160 422 HA LEU 57 HA LEU 57 -0.233 11.636 -2.971 423 HB2 LEU 57 1HB LEU 57 -1.218 9.583 -1.993 424 HB3 LEU 57 2HB LEU 57 -2.782 10.055 -2.628 425 HG LEU 57 HG LEU 57 -2.066 9.734 -4.885 426 HD11 LEU 57 1HD1 LEU 57 0.218 9.073 -5.455 427 HD12 LEU 57 2HD1 LEU 57 0.694 9.261 -3.767 428 HD13 LEU 57 3HD1 LEU 57 0.177 10.666 -4.699 429 HD21 LEU 57 3HD2 LEU 57 -2.700 7.710 -3.704 430 HD22 LEU 57 1HD2 LEU 57 -1.043 7.492 -3.148 431 HD23 LEU 57 2HD2 LEU 57 -1.422 7.368 -4.866 432 H GLU 58 H GLU 58 -0.305 13.043 -4.530 433 HA GLU 58 HA GLU 58 -2.510 14.685 -5.104 434 HB2 GLU 58 1HB GLU 58 -0.107 14.138 -6.851 435 HB3 GLU 58 2HB GLU 58 -1.173 15.532 -6.944 436 HG2 GLU 58 1HG GLU 58 -0.462 16.203 -4.693 437 HG3 GLU 58 2HG GLU 58 0.645 14.830 -4.655 438 H SER 59 H SER 59 -3.565 14.915 -7.178 439 HA SER 59 HA SER 59 -4.893 12.570 -7.973 440 HB2 SER 59 1HB SER 59 -5.654 14.127 -9.907 441 HB3 SER 59 2HB SER 59 -6.091 14.562 -8.254 442 HG SER 59 HG SER 59 -4.327 16.013 -8.228 443 H GLU 60 H GLU 60 -4.383 11.031 -9.356 444 HA GLU 60 HA GLU 60 -3.332 9.790 -10.916 445 HB2 GLU 60 1HB GLU 60 -2.838 12.459 -12.241 446 HB3 GLU 60 2HB GLU 60 -2.624 10.890 -13.006 447 HG2 GLU 60 1HG GLU 60 -5.063 10.460 -12.520 448 HG3 GLU 60 2HG GLU 60 -5.182 12.165 -12.083 449 H ASN 61 H ASN 61 -1.850 10.582 -8.633 450 HA ASN 61 HA ASN 61 0.878 10.442 -9.741 451 HB2 ASN 61 1HB ASN 61 -0.172 11.906 -7.340 452 HB3 ASN 61 2HB ASN 61 1.495 11.339 -7.359 453 HD21 ASN 61 2HD2 ASN 61 -0.840 13.376 -9.010 454 HD22 ASN 61 1HD2 ASN 61 0.320 14.427 -9.745 455 H SER 62 H SER 62 2.407 9.232 -8.329 456 HA SER 62 HA SER 62 1.044 7.148 -6.775 457 HB2 SER 62 1HB SER 62 2.821 5.572 -7.842 458 HB3 SER 62 2HB SER 62 1.387 6.003 -8.775 459 HG SER 62 HG SER 62 4.046 6.919 -9.047 460 H THR 63 H THR 63 1.906 6.800 -4.852 461 HA THR 63 HA THR 63 4.595 7.851 -4.285 462 HB THR 63 HB THR 63 3.875 7.508 -1.860 463 HG1 THR 63 HG1 THR 63 1.990 6.159 -2.683 464 HG21 THR 63 3HG2 THR 63 3.932 9.716 -2.914 465 HG22 THR 63 1HG2 THR 63 2.575 9.576 -1.795 466 HG23 THR 63 2HG2 THR 63 2.300 9.463 -3.533 467 H ASN 64 H ASN 64 6.075 6.564 -3.071 468 HA ASN 64 HA ASN 64 5.576 3.675 -3.340 469 HB2 ASN 64 1HB ASN 64 8.196 5.157 -2.982 470 HB3 ASN 64 2HB ASN 64 8.027 3.412 -3.149 471 HD21 ASN 64 2HD2 ASN 64 7.431 2.549 -5.173 472 HD22 ASN 64 1HD2 ASN 64 7.607 3.463 -6.630 473 H VAL 65 H VAL 65 5.261 2.509 -1.553 474 HA VAL 65 HA VAL 65 5.427 3.926 0.997 475 HB VAL 65 HB VAL 65 4.039 1.324 0.324 476 HG11 VAL 65 1HG1 VAL 65 2.932 1.599 2.497 477 HG12 VAL 65 2HG1 VAL 65 3.936 3.013 2.822 478 HG13 VAL 65 3HG1 VAL 65 4.677 1.421 2.669 479 HG21 VAL 65 3HG2 VAL 65 2.948 4.109 0.701 480 HG22 VAL 65 1HG2 VAL 65 1.975 2.648 0.518 481 HG23 VAL 65 2HG2 VAL 65 3.003 3.192 -0.807 482 H ASP 66 H ASP 66 6.795 3.447 2.518 483 HA ASP 66 HA ASP 66 8.774 1.349 2.029 484 HB2 ASP 66 1HB ASP 66 9.548 3.658 2.401 485 HB3 ASP 66 2HB ASP 66 8.748 3.678 3.967 486 H PHE 67 H PHE 67 7.857 -0.531 2.773 487 HA PHE 67 HA PHE 67 6.654 -0.575 5.426 488 HB2 PHE 67 1HB PHE 67 6.848 -2.605 3.219 489 HB3 PHE 67 2HB PHE 67 6.314 -3.050 4.834 490 HD1 PHE 67 HD2 PHE 67 4.548 -1.040 5.701 491 HD2 PHE 67 HD1 PHE 67 5.112 -2.518 1.750 492 HE1 PHE 67 HE2 PHE 67 2.246 -0.385 5.133 493 HE2 PHE 67 HE1 PHE 67 2.812 -1.865 1.171 494 HZ PHE 67 HZ PHE 67 1.375 -0.799 2.864 495 H HIS 68 H HIS 68 7.351 -1.805 7.106 496 HA HIS 68 HA HIS 68 10.153 -2.734 6.958 497 HB2 HIS 68 1HB HIS 68 8.720 -1.951 9.497 498 HB3 HIS 68 2HB HIS 68 10.453 -2.063 9.212 499 HD1 HIS 68 HD1 HIS 68 7.485 0.121 8.314 500 HD2 HIS 68 HD2 HIS 68 11.645 0.295 8.466 501 HE1 HIS 68 HE1 HIS 68 8.084 2.537 7.913 502 HE2 HIS 68 HE2 HIS 68 10.602 2.620 7.985 503 H TRP 69 H TRP 69 9.908 -4.925 6.587 504 HA TRP 69 HA TRP 69 8.045 -6.341 8.377 505 HB2 TRP 69 1HB TRP 69 7.160 -6.235 6.075 506 HB3 TRP 69 2HB TRP 69 8.619 -7.027 5.486 507 HD1 TRP 69 HD1 TRP 69 6.823 -8.152 8.675 508 HE1 TRP 69 HE1 TRP 69 5.915 -10.538 8.318 509 HE3 TRP 69 HE3 TRP 69 7.879 -8.692 3.696 510 HZ2 TRP 69 HZ2 TRP 69 5.677 -12.395 6.206 511 HZ3 TRP 69 HZ3 TRP 69 7.282 -10.803 2.591 512 HH2 TRP 69 HH2 TRP 69 6.203 -12.613 3.817 513 H THR 70 H THR 70 8.990 -7.758 9.645 514 HA THR 70 HA THR 70 11.590 -8.857 8.853 515 HB THR 70 HB THR 70 11.661 -7.679 10.980 516 HG1 THR 70 HG1 THR 70 12.443 -9.449 12.267 517 HG21 THR 70 3HG2 THR 70 10.378 -8.452 12.922 518 HG22 THR 70 1HG2 THR 70 9.535 -9.619 11.900 519 HG23 THR 70 2HG2 THR 70 9.315 -7.889 11.631 520 H LEU 71 H LEU 71 11.904 -11.045 8.735 521 HA LEU 71 HA LEU 71 9.490 -12.687 8.981 522 HB2 LEU 71 1HB LEU 71 11.918 -12.857 7.325 523 HB3 LEU 71 2HB LEU 71 11.295 -14.382 7.925 524 HG LEU 71 HG LEU 71 10.368 -14.107 5.795 525 HD11 LEU 71 1HD1 LEU 71 8.771 -14.853 7.481 526 HD12 LEU 71 2HD1 LEU 71 7.989 -13.956 6.178 527 HD13 LEU 71 3HD1 LEU 71 8.271 -13.180 7.736 528 HD21 LEU 71 3HD2 LEU 71 10.891 -11.743 5.516 529 HD22 LEU 71 1HD2 LEU 71 9.546 -11.326 6.579 530 HD23 LEU 71 2HD2 LEU 71 9.238 -12.109 5.027 531 H ASP 72 H ASP 72 9.221 -13.799 10.710 532 HA ASP 72 HA ASP 72 11.412 -14.412 12.504 533 HB2 ASP 72 1HB ASP 72 9.423 -13.770 13.615 534 HB3 ASP 72 2HB ASP 72 8.426 -14.821 12.616 535 H GLY 73 H GLY 73 9.598 -15.929 10.011 536 HA2 GLY 73 1HA GLY 73 11.179 -18.351 10.280 537 HA3 GLY 73 2HA GLY 73 9.444 -18.553 10.490 538 H THR 74 H THR 74 9.425 -19.916 8.643 539 HA THR 74 HA THR 74 9.151 -18.371 6.204 540 HB THR 74 HB THR 74 11.395 -19.053 5.900 541 HG1 THR 74 HG1 THR 74 10.155 -21.141 4.487 542 HG21 THR 74 3HG2 THR 74 10.548 -21.848 6.655 543 HG22 THR 74 1HG2 THR 74 11.538 -20.760 7.627 544 HG23 THR 74 2HG2 THR 74 12.152 -21.379 6.094 545 H ALA 75 H ALA 75 6.960 -18.721 6.425 546 HA ALA 75 HA ALA 75 5.878 -21.393 6.268 547 HB1 ALA 75 3HB ALA 75 4.545 -18.718 5.840 548 HB2 ALA 75 1HB ALA 75 4.610 -19.614 7.357 549 HB3 ALA 75 2HB ALA 75 3.719 -20.270 5.984 550 H ASN 76 H ASN 76 7.597 -19.650 4.199 551 HA ASN 76 HA ASN 76 8.102 -19.804 2.012 552 HB2 ASN 76 1HB ASN 76 6.032 -21.996 2.003 553 HB3 ASN 76 2HB ASN 76 6.982 -21.553 0.590 554 HD21 ASN 76 2HD2 ASN 76 6.906 -24.079 1.958 555 HD22 ASN 76 1HD2 ASN 76 8.520 -24.403 2.502 556 H SER 77 H SER 77 4.583 -20.148 2.269 557 HA SER 77 HA SER 77 4.323 -18.106 0.177 558 HB2 SER 77 1HB SER 77 3.233 -20.264 -0.289 559 HB3 SER 77 2HB SER 77 2.306 -20.124 1.202 560 HG SER 77 HG SER 77 1.390 -19.404 -0.973 561 H TYR 78 H TYR 78 3.984 -16.116 0.907 562 HA TYR 78 HA TYR 78 2.340 -15.777 3.335 563 HB2 TYR 78 1HB TYR 78 4.690 -14.174 2.334 564 HB3 TYR 78 2HB TYR 78 3.567 -13.545 3.535 565 HD1 TYR 78 HD2 TYR 78 6.037 -16.229 2.875 566 HD2 TYR 78 HD1 TYR 78 3.722 -14.182 5.798 567 HE1 TYR 78 HE2 TYR 78 7.310 -17.345 4.658 568 HE2 TYR 78 HE1 TYR 78 4.986 -15.290 7.585 569 HH TYR 78 HH TYR 78 6.348 -17.183 7.988 570 H THR 79 H THR 79 0.602 -14.467 3.226 571 HA THR 79 HA THR 79 -0.076 -13.505 0.541 572 HB THR 79 HB THR 79 -1.931 -13.656 2.917 573 HG1 THR 79 HG1 THR 79 -1.409 -15.751 2.696 574 HG21 THR 79 3HG2 THR 79 -2.423 -13.666 -0.065 575 HG22 THR 79 1HG2 THR 79 -2.712 -12.311 1.029 576 HG23 THR 79 2HG2 THR 79 -3.664 -13.788 1.183 577 H LEU 80 H LEU 80 1.111 -11.579 0.508 578 HA LEU 80 HA LEU 80 0.672 -9.654 2.634 579 HB2 LEU 80 1HB LEU 80 2.588 -9.942 0.405 580 HB3 LEU 80 2HB LEU 80 2.169 -8.299 0.852 581 HG LEU 80 HG LEU 80 2.915 -8.692 3.136 582 HD11 LEU 80 1HD1 LEU 80 4.048 -10.773 3.755 583 HD12 LEU 80 2HD1 LEU 80 3.614 -11.470 2.195 584 HD13 LEU 80 3HD1 LEU 80 2.354 -11.049 3.352 585 HD21 LEU 80 3HD2 LEU 80 4.937 -9.573 1.087 586 HD22 LEU 80 1HD2 LEU 80 5.299 -8.940 2.693 587 HD23 LEU 80 2HD2 LEU 80 4.524 -7.907 1.492 588 H THR 81 H THR 81 -0.998 -8.420 2.612 589 HA THR 81 HA THR 81 -2.167 -7.622 0.030 590 HB THR 81 HB THR 81 -3.593 -7.890 2.685 591 HG1 THR 81 HG1 THR 81 -2.773 -9.892 1.588 592 HG21 THR 81 3HG2 THR 81 -4.629 -6.305 1.125 593 HG22 THR 81 1HG2 THR 81 -5.625 -7.747 1.330 594 HG23 THR 81 2HG2 THR 81 -4.647 -7.548 -0.125 595 H VAL 82 H VAL 82 -1.995 -5.530 -0.411 596 HA VAL 82 HA VAL 82 -1.386 -3.631 1.716 597 HB VAL 82 HB VAL 82 -1.644 -3.137 -1.255 598 HG11 VAL 82 1HG1 VAL 82 -0.449 -1.055 -0.788 599 HG12 VAL 82 2HG1 VAL 82 -0.448 -1.438 0.934 600 HG13 VAL 82 3HG1 VAL 82 -1.971 -1.130 0.099 601 HG21 VAL 82 3HG2 VAL 82 0.824 -3.592 0.419 602 HG22 VAL 82 1HG2 VAL 82 0.809 -3.124 -1.281 603 HG23 VAL 82 2HG2 VAL 82 0.169 -4.695 -0.792 604 H ASN 83 H ASN 83 -3.056 -2.882 2.841 605 HA ASN 83 HA ASN 83 -5.501 -2.207 1.346 606 HB2 ASN 83 1HB ASN 83 -5.896 -3.760 3.202 607 HB3 ASN 83 2HB ASN 83 -5.137 -2.633 4.323 608 HD21 ASN 83 2HD2 ASN 83 -7.914 -3.221 2.294 609 HD22 ASN 83 1HD2 ASN 83 -8.951 -2.064 3.049 610 H VAL 84 H VAL 84 -5.735 -0.156 0.864 611 HA VAL 84 HA VAL 84 -4.031 1.804 2.121 612 HB VAL 84 HB VAL 84 -6.044 2.118 -0.102 613 HG11 VAL 84 1HG1 VAL 84 -4.966 4.265 -0.530 614 HG12 VAL 84 2HG1 VAL 84 -3.932 4.026 0.880 615 HG13 VAL 84 3HG1 VAL 84 -5.674 4.215 1.086 616 HG21 VAL 84 3HG2 VAL 84 -4.134 0.630 -0.620 617 HG22 VAL 84 1HG2 VAL 84 -3.034 1.948 -0.214 618 HG23 VAL 84 2HG2 VAL 84 -4.130 2.107 -1.588 619 H ASP 85 H ASP 85 -4.623 2.345 4.047 620 HA ASP 85 HA ASP 85 -5.672 3.311 5.766 621 HB2 ASP 85 1HB ASP 85 -5.912 5.116 3.953 622 HB3 ASP 85 2HB ASP 85 -7.604 4.621 3.882 623 HA PRO 86 HA PRO 86 -8.943 0.166 6.066 624 HB2 PRO 86 1HB PRO 86 -7.929 -0.060 8.801 625 HB3 PRO 86 2HB PRO 86 -8.025 -1.295 7.544 626 HG2 PRO 86 1HG PRO 86 -5.674 -0.257 8.388 627 HG3 PRO 86 2HG PRO 86 -5.930 -0.808 6.722 628 HD2 PRO 86 1HD PRO 86 -5.949 1.977 7.823 629 HD3 PRO 86 2HD PRO 86 -5.266 1.373 6.297 630 H GLU 87 H GLU 87 -8.244 3.089 7.653 631 HA GLU 87 HA GLU 87 -10.561 2.995 9.410 632 HB2 GLU 87 1HB GLU 87 -8.489 5.153 8.957 633 HB3 GLU 87 2HB GLU 87 -9.767 5.218 10.166 634 HG2 GLU 87 1HG GLU 87 -8.846 3.237 11.250 635 HG3 GLU 87 2HG GLU 87 -7.574 3.160 10.036 636 H ASN 88 H ASN 88 -9.909 3.731 6.250 637 HA ASN 88 HA ASN 88 -11.075 4.680 4.559 638 HB2 ASN 88 1HB ASN 88 -12.899 3.278 5.650 639 HB3 ASN 88 2HB ASN 88 -13.444 4.755 6.433 640 HD21 ASN 88 2HD2 ASN 88 -12.138 4.571 3.171 641 HD22 ASN 88 1HD2 ASN 88 -13.607 4.992 2.368 642 H ALA 89 H ALA 89 -9.547 6.387 6.104 643 HA ALA 89 HA ALA 89 -10.941 8.762 6.837 644 HB1 ALA 89 3HB ALA 89 -8.713 8.226 7.705 645 HB2 ALA 89 1HB ALA 89 -8.728 9.798 6.906 646 HB3 ALA 89 2HB ALA 89 -8.039 8.397 6.085 647 H VAL 90 H VAL 90 -9.713 7.488 3.854 648 HA VAL 90 HA VAL 90 -10.493 9.974 2.479 649 HB VAL 90 HB VAL 90 -8.732 7.739 1.441 650 HG11 VAL 90 1HG1 VAL 90 -9.415 10.421 0.243 651 HG12 VAL 90 2HG1 VAL 90 -9.971 8.850 -0.333 652 HG13 VAL 90 3HG1 VAL 90 -8.259 9.262 -0.417 653 HG21 VAL 90 3HG2 VAL 90 -7.608 8.990 3.200 654 HG22 VAL 90 1HG2 VAL 90 -7.996 10.508 2.391 655 HG23 VAL 90 2HG2 VAL 90 -6.894 9.359 1.630 656 H ASN 91 H ASN 91 -12.379 9.906 1.451 657 HA ASN 91 HA ASN 91 -13.747 7.403 0.997 658 HB2 ASN 91 1HB ASN 91 -14.974 9.449 1.685 659 HB3 ASN 91 2HB ASN 91 -14.522 10.209 0.161 660 HD21 ASN 91 2HD2 ASN 91 -16.575 10.464 -0.595 661 HD22 ASN 91 1HD2 ASN 91 -17.587 9.134 -1.062 662 H GLU 92 H GLU 92 -13.882 6.304 -0.909 663 HA GLU 92 HA GLU 92 -12.480 7.488 -3.209 664 HB2 GLU 92 1HB GLU 92 -12.289 4.646 -2.223 665 HB3 GLU 92 2HB GLU 92 -11.540 5.269 -3.687 666 HG2 GLU 92 1HG GLU 92 -10.192 6.800 -2.330 667 HG3 GLU 92 2HG GLU 92 -10.925 6.125 -0.871 668 H GLY 93 H GLY 93 -12.983 6.599 -5.259 669 HA2 GLY 93 1HA GLY 93 -15.669 6.182 -5.882 670 HA3 GLY 93 2HA GLY 93 -14.315 5.796 -6.930 671 H ASN 94 H ASN 94 -13.714 3.735 -7.218 672 HA ASN 94 HA ASN 94 -15.593 1.702 -6.877 673 HB2 ASN 94 1HB ASN 94 -13.754 1.822 -8.602 674 HB3 ASN 94 2HB ASN 94 -12.629 1.314 -7.347 675 HD21 ASN 94 2HD2 ASN 94 -12.095 -0.571 -8.422 676 HD22 ASN 94 1HD2 ASN 94 -13.190 -1.909 -8.566 677 H GLU 95 H GLU 95 -15.271 -0.405 -5.736 678 HA GLU 95 HA GLU 95 -14.299 0.148 -3.011 679 HB2 GLU 95 1HB GLU 95 -15.983 -1.242 -2.151 680 HB3 GLU 95 2HB GLU 95 -16.772 -0.337 -3.431 681 HG2 GLU 95 1HG GLU 95 -15.772 -3.169 -3.643 682 HG3 GLU 95 2HG GLU 95 -17.447 -2.679 -3.409 683 H SER 96 H SER 96 -13.247 -1.351 -5.666 684 HA SER 96 HA SER 96 -11.903 -3.470 -4.121 685 HB2 SER 96 1HB SER 96 -12.700 -3.626 -7.039 686 HB3 SER 96 2HB SER 96 -11.950 -4.904 -6.082 687 HG SER 96 HG SER 96 -14.554 -3.796 -5.809 688 H ASN 97 H ASN 97 -11.136 -0.681 -4.771 689 HA ASN 97 HA ASN 97 -9.001 -1.053 -6.741 690 HB2 ASN 97 1HB ASN 97 -8.849 1.380 -6.798 691 HB3 ASN 97 2HB ASN 97 -10.518 0.876 -7.042 692 HD21 ASN 97 2HD2 ASN 97 -9.279 3.373 -6.018 693 HD22 ASN 97 1HD2 ASN 97 -10.015 3.663 -4.479 694 H ASN 98 H ASN 98 -9.512 -0.197 -3.362 695 HA ASN 98 HA ASN 98 -6.801 0.729 -3.028 696 HB2 ASN 98 1HB ASN 98 -7.470 1.433 -0.863 697 HB3 ASN 98 2HB ASN 98 -8.831 1.759 -1.922 698 HD21 ASN 98 2HD2 ASN 98 -8.767 1.420 0.959 699 HD22 ASN 98 1HD2 ASN 98 -9.840 0.110 1.311 700 H THR 99 H THR 99 -7.728 -2.256 -3.382 701 HA THR 99 HA THR 99 -6.079 -3.281 -1.168 702 HB THR 99 HB THR 99 -8.117 -4.956 -2.590 703 HG1 THR 99 HG1 THR 99 -8.758 -2.819 -1.224 704 HG21 THR 99 3HG2 THR 99 -8.083 -6.231 -0.502 705 HG22 THR 99 1HG2 THR 99 -6.929 -5.082 0.179 706 HG23 THR 99 2HG2 THR 99 -6.466 -6.092 -1.190 707 H LEU 100 H LEU 100 -4.665 -4.959 -1.637 708 HA LEU 100 HA LEU 100 -4.319 -5.860 -4.377 709 HB2 LEU 100 1HB LEU 100 -2.930 -3.851 -4.318 710 HB3 LEU 100 2HB LEU 100 -2.144 -4.413 -2.855 711 HG LEU 100 HG LEU 100 -1.264 -6.364 -4.181 712 HD11 LEU 100 1HD1 LEU 100 -1.246 -6.181 -6.607 713 HD12 LEU 100 2HD1 LEU 100 -2.258 -4.740 -6.516 714 HD13 LEU 100 3HD1 LEU 100 -2.895 -6.300 -5.994 715 HD21 LEU 100 3HD2 LEU 100 0.499 -5.051 -5.281 716 HD22 LEU 100 1HD2 LEU 100 0.144 -4.460 -3.657 717 HD23 LEU 100 2HD2 LEU 100 -0.469 -3.593 -5.065 718 H THR 101 H THR 101 -4.489 -7.982 -3.972 719 HA THR 101 HA THR 101 -3.132 -9.125 -1.659 720 HB THR 101 HB THR 101 -4.887 -10.505 -3.702 721 HG1 THR 101 HG1 THR 101 -5.584 -9.622 -1.082 722 HG21 THR 101 3HG2 THR 101 -5.104 -12.239 -1.975 723 HG22 THR 101 1HG2 THR 101 -3.975 -11.353 -0.948 724 HG23 THR 101 2HG2 THR 101 -3.426 -12.037 -2.479 725 H ALA 102 H ALA 102 -0.985 -9.218 -2.095 726 HA ALA 102 HA ALA 102 -0.168 -10.509 -4.611 727 HB1 ALA 102 3HB ALA 102 0.697 -8.236 -4.322 728 HB2 ALA 102 1HB ALA 102 1.999 -9.427 -4.312 729 HB3 ALA 102 2HB ALA 102 1.443 -8.714 -2.799 730 H LEU 103 H LEU 103 0.449 -12.537 -4.431 731 HA LEU 103 HA LEU 103 1.054 -13.678 -1.847 732 HB2 LEU 103 1HB LEU 103 -0.260 -14.764 -3.791 733 HB3 LEU 103 2HB LEU 103 1.308 -15.065 -4.507 734 HG LEU 103 HG LEU 103 0.327 -17.009 -3.283 735 HD11 LEU 103 1HD1 LEU 103 2.930 -15.974 -2.182 736 HD12 LEU 103 2HD1 LEU 103 2.726 -16.884 -3.680 737 HD13 LEU 103 3HD1 LEU 103 2.375 -17.647 -2.130 738 HD21 LEU 103 3HD2 LEU 103 0.866 -15.318 -0.849 739 HD22 LEU 103 1HD2 LEU 103 0.358 -17.008 -0.850 740 HD23 LEU 103 2HD2 LEU 103 -0.725 -15.760 -1.465 741 H VAL 104 H VAL 104 3.007 -13.411 -1.013 742 HA VAL 104 HA VAL 104 5.302 -13.198 -2.839 743 HB VAL 104 HB VAL 104 6.546 -12.162 -1.043 744 HG11 VAL 104 1HG1 VAL 104 3.818 -10.918 -1.354 745 HG12 VAL 104 2HG1 VAL 104 5.214 -10.674 -2.404 746 HG13 VAL 104 3HG1 VAL 104 5.251 -10.093 -0.737 747 HG21 VAL 104 3HG2 VAL 104 5.640 -13.373 0.845 748 HG22 VAL 104 1HG2 VAL 104 4.086 -12.563 0.647 749 HG23 VAL 104 2HG2 VAL 104 5.511 -11.635 1.117 750 H GLY 105 H GLY 105 7.355 -14.199 -2.028 751 HA2 GLY 105 1HA GLY 105 6.758 -16.645 -0.492 752 HA3 GLY 105 2HA GLY 105 7.625 -16.736 -2.018 753 H THR 106 H THR 106 8.718 -17.738 0.292 754 HA THR 106 HA THR 106 10.702 -15.836 1.182 755 HB THR 106 HB THR 106 11.688 -17.872 2.330 756 HG1 THR 106 HG1 THR 106 10.236 -19.693 2.438 757 HG21 THR 106 3HG2 THR 106 10.203 -16.298 3.478 758 HG22 THR 106 1HG2 THR 106 9.937 -17.949 4.039 759 HG23 THR 106 2HG2 THR 106 8.799 -17.206 2.912 760 H LEU 107 H LEU 107 12.710 -15.614 0.373 761 HA LEU 107 HA LEU 107 13.170 -16.281 -2.284 762 HB2 LEU 107 1HB LEU 107 14.270 -14.430 -1.030 763 HB3 LEU 107 2HB LEU 107 15.270 -15.621 -0.219 764 HG LEU 107 HG LEU 107 16.210 -16.282 -2.420 765 HD11 LEU 107 1HD1 LEU 107 14.338 -15.600 -3.822 766 HD12 LEU 107 2HD1 LEU 107 15.840 -14.846 -4.353 767 HD13 LEU 107 3HD1 LEU 107 14.657 -13.910 -3.440 768 HD21 LEU 107 3HD2 LEU 107 17.600 -14.288 -2.716 769 HD22 LEU 107 1HD2 LEU 107 17.390 -14.686 -1.009 770 HD23 LEU 107 2HD2 LEU 107 16.475 -13.358 -1.724 771 H GLU 108 H GLU 108 13.636 -18.128 -3.203 772 HA GLU 108 HA GLU 108 14.255 -20.413 -1.647 773 HB2 GLU 108 1HB GLU 108 14.581 -21.389 -4.103 774 HB3 GLU 108 2HB GLU 108 12.998 -21.113 -3.397 775 HG2 GLU 108 1HG GLU 108 13.026 -20.328 -5.662 776 HG3 GLU 108 2HG GLU 108 12.869 -18.957 -4.571 777 H HIS 109 H HIS 109 16.133 -18.164 -3.503 778 HA HIS 109 HA HIS 109 18.579 -19.605 -3.433 779 HB2 HIS 109 1HB HIS 109 17.914 -16.677 -3.670 780 HB3 HIS 109 2HB HIS 109 19.581 -17.220 -3.531 781 HD1 HIS 109 HD1 HIS 109 16.589 -17.528 -5.830 782 HD2 HIS 109 HD2 HIS 109 20.705 -18.142 -5.853 783 HE1 HIS 109 HE1 HIS 109 17.207 -17.906 -8.237 784 HE2 HIS 109 HE2 HIS 109 19.654 -18.496 -8.197 785 H HIS 110 H HIS 110 19.623 -20.226 -1.672 786 HA HIS 110 HA HIS 110 19.184 -18.678 0.792 787 HB2 HIS 110 1HB HIS 110 19.988 -21.583 0.525 788 HB3 HIS 110 2HB HIS 110 19.718 -20.727 2.036 789 HD1 HIS 110 HD1 HIS 110 17.038 -19.311 1.236 790 HD2 HIS 110 HD2 HIS 110 17.887 -23.333 0.615 791 HE1 HIS 110 HE1 HIS 110 14.808 -20.454 1.098 792 HE2 HIS 110 HE2 HIS 110 15.331 -22.884 0.689 793 H HIS 111 H HIS 111 20.805 -17.198 0.520 794 HA HIS 111 HA HIS 111 23.532 -18.285 0.721 795 HB2 HIS 111 1HB HIS 111 23.163 -17.212 -1.485 796 HB3 HIS 111 2HB HIS 111 22.703 -15.721 -0.670 797 HD1 HIS 111 HD1 HIS 111 24.585 -14.214 0.215 798 HD2 HIS 111 HD2 HIS 111 25.932 -17.813 -1.400 799 HE1 HIS 111 HE1 HIS 111 27.082 -13.981 0.004 800 HE2 HIS 111 HE2 HIS 111 27.867 -16.129 -1.062 801 H HIS 112 H HIS 112 24.062 -18.036 2.803 802 HA HIS 112 HA HIS 112 23.383 -15.549 4.182 803 HB2 HIS 112 1HB HIS 112 24.994 -17.908 5.190 804 HB3 HIS 112 2HB HIS 112 24.391 -16.569 6.156 805 HD1 HIS 112 HD1 HIS 112 21.719 -16.467 6.443 806 HD2 HIS 112 HD2 HIS 112 23.289 -20.011 4.922 807 HE1 HIS 112 HE1 HIS 112 19.901 -18.190 6.705 808 HE2 HIS 112 HE2 HIS 112 20.850 -20.318 5.733 809 H HIS 113 H HIS 113 26.407 -17.365 4.314 810 HA HIS 113 HA HIS 113 27.799 -15.177 2.951 811 HB2 HIS 113 1HB HIS 113 28.509 -16.275 5.677 812 HB3 HIS 113 2HB HIS 113 29.670 -15.410 4.674 813 HD1 HIS 113 HD1 HIS 113 29.257 -12.861 4.298 814 HD2 HIS 113 HD2 HIS 113 26.587 -14.681 6.919 815 HE1 HIS 113 HE1 HIS 113 28.032 -10.985 5.437 816 HE2 HIS 113 HE2 HIS 113 26.233 -12.123 6.779 817 H HIS 114 H HIS 114 26.895 -17.973 2.488 818 HA HIS 114 HA HIS 114 29.384 -18.941 1.326 819 HB2 HIS 114 1HB HIS 114 28.095 -20.169 3.579 820 HB3 HIS 114 2HB HIS 114 27.971 -21.242 2.188 821 HD1 HIS 114 HD1 HIS 114 30.328 -19.995 4.726 822 HD2 HIS 114 HD2 HIS 114 30.511 -22.052 1.113 823 HE1 HIS 114 HE1 HIS 114 32.656 -20.946 4.598 824 HE2 HIS 114 HE2 HIS 114 32.793 -22.050 2.336 Start of MODEL 14 1 H1 MET 1 1H MET 1 -14.578 14.615 -10.817 2 H2 MET 1 2H MET 1 -15.281 14.692 -9.274 3 H3 MET 1 3H MET 1 -14.797 13.196 -9.908 4 HA MET 1 HA MET 1 -12.480 13.975 -9.917 5 HB2 MET 1 1HB MET 1 -13.697 16.298 -8.402 6 HB3 MET 1 2HB MET 1 -11.974 15.970 -8.525 7 HG2 MET 1 1HG MET 1 -12.064 16.298 -10.927 8 HG3 MET 1 2HG MET 1 -13.802 16.579 -10.834 9 HE1 MET 1 3HE MET 1 -10.967 17.797 -8.369 10 HE2 MET 1 1HE MET 1 -10.609 19.389 -9.037 11 HE3 MET 1 2HE MET 1 -10.236 17.938 -9.968 12 H ILE 2 H ILE 2 -12.422 12.035 -8.817 13 HA ILE 2 HA ILE 2 -12.589 12.269 -5.894 14 HB ILE 2 HB ILE 2 -14.676 11.158 -6.849 15 HG12 ILE 2 1HG1 ILE 2 -12.975 9.474 -5.000 16 HG13 ILE 2 2HG1 ILE 2 -13.945 10.859 -4.509 17 HG21 ILE 2 1HG2 ILE 2 -14.497 8.827 -7.553 18 HG22 ILE 2 2HG2 ILE 2 -12.740 8.929 -7.456 19 HG23 ILE 2 3HG2 ILE 2 -13.616 9.898 -8.641 20 HD11 ILE 2 3HD1 ILE 2 -15.968 9.683 -5.193 21 HD12 ILE 2 1HD1 ILE 2 -15.059 8.769 -3.991 22 HD13 ILE 2 2HD1 ILE 2 -14.995 8.298 -5.689 23 HA PRO 3 HA PRO 3 -8.620 10.260 -6.261 24 HB2 PRO 3 1HB PRO 3 -8.992 9.236 -3.540 25 HB3 PRO 3 2HB PRO 3 -7.799 10.385 -4.147 26 HG2 PRO 3 1HG PRO 3 -9.822 11.127 -2.524 27 HG3 PRO 3 2HG PRO 3 -9.161 12.200 -3.772 28 HD2 PRO 3 1HD PRO 3 -11.664 10.555 -3.814 29 HD3 PRO 3 2HD PRO 3 -11.389 12.207 -4.411 30 H ASP 4 H ASP 4 -7.740 8.174 -6.418 31 HA ASP 4 HA ASP 4 -9.395 5.894 -5.727 32 HB2 ASP 4 1HB ASP 4 -10.016 6.562 -8.082 33 HB3 ASP 4 2HB ASP 4 -8.357 6.213 -8.552 34 H LEU 5 H LEU 5 -7.693 5.833 -4.190 35 HA LEU 5 HA LEU 5 -4.959 5.521 -4.957 36 HB2 LEU 5 1HB LEU 5 -6.196 4.689 -2.340 37 HB3 LEU 5 2HB LEU 5 -4.529 5.137 -2.639 38 HG LEU 5 HG LEU 5 -6.891 7.020 -2.751 39 HD11 LEU 5 1HD1 LEU 5 -5.953 7.983 -0.714 40 HD12 LEU 5 2HD1 LEU 5 -4.722 6.720 -0.682 41 HD13 LEU 5 3HD1 LEU 5 -6.424 6.300 -0.482 42 HD21 LEU 5 3HD2 LEU 5 -5.084 7.654 -4.279 43 HD22 LEU 5 1HD2 LEU 5 -3.942 7.598 -2.936 44 HD23 LEU 5 2HD2 LEU 5 -5.246 8.785 -2.934 45 H VAL 6 H VAL 6 -4.416 3.823 -6.163 46 HA VAL 6 HA VAL 6 -5.418 1.155 -5.392 47 HB VAL 6 HB VAL 6 -4.374 1.979 -8.106 48 HG11 VAL 6 1HG1 VAL 6 -4.158 -0.393 -7.640 49 HG12 VAL 6 2HG1 VAL 6 -5.401 -0.116 -8.860 50 HG13 VAL 6 3HG1 VAL 6 -5.863 -0.480 -7.197 51 HG21 VAL 6 3HG2 VAL 6 -7.224 1.735 -7.174 52 HG22 VAL 6 1HG2 VAL 6 -6.723 1.942 -8.849 53 HG23 VAL 6 2HG2 VAL 6 -6.404 3.213 -7.668 54 HA PRO 7 HA PRO 7 -1.017 0.300 -4.817 55 HB2 PRO 7 1HB PRO 7 -1.734 -2.221 -3.684 56 HB3 PRO 7 2HB PRO 7 -1.155 -0.788 -2.838 57 HG2 PRO 7 1HG PRO 7 -3.709 -1.865 -2.629 58 HG3 PRO 7 2HG PRO 7 -3.234 -0.229 -2.152 59 HD2 PRO 7 1HD PRO 7 -4.654 -1.152 -4.595 60 HD3 PRO 7 2HD PRO 7 -4.801 0.381 -3.711 61 H VAL 8 H VAL 8 -0.178 -0.233 -6.764 62 HA VAL 8 HA VAL 8 -1.526 -2.288 -8.335 63 HB VAL 8 HB VAL 8 -0.172 -1.484 -10.233 64 HG11 VAL 8 1HG1 VAL 8 -1.676 0.658 -8.738 65 HG12 VAL 8 2HG1 VAL 8 -2.369 -0.541 -9.831 66 HG13 VAL 8 3HG1 VAL 8 -1.277 0.695 -10.457 67 HG21 VAL 8 3HG2 VAL 8 1.799 -0.725 -9.014 68 HG22 VAL 8 1HG2 VAL 8 0.855 0.567 -8.271 69 HG23 VAL 8 2HG2 VAL 8 1.140 0.572 -10.011 70 H SER 9 H SER 9 1.467 -1.806 -6.632 71 HA SER 9 HA SER 9 2.294 -4.486 -7.411 72 HB2 SER 9 1HB SER 9 4.044 -2.054 -7.810 73 HB3 SER 9 2HB SER 9 4.579 -3.725 -7.976 74 HG SER 9 HG SER 9 3.083 -3.979 -9.672 75 H LEU 10 H LEU 10 3.520 -5.539 -5.942 76 HA LEU 10 HA LEU 10 4.536 -4.049 -3.620 77 HB2 LEU 10 1HB LEU 10 2.559 -5.178 -2.854 78 HB3 LEU 10 2HB LEU 10 3.039 -6.669 -3.638 79 HG LEU 10 HG LEU 10 4.913 -6.893 -2.047 80 HD11 LEU 10 1HD1 LEU 10 3.717 -4.466 -0.724 81 HD12 LEU 10 2HD1 LEU 10 5.281 -4.543 -1.538 82 HD13 LEU 10 3HD1 LEU 10 5.004 -5.478 -0.067 83 HD21 LEU 10 3HD2 LEU 10 2.814 -7.998 -1.570 84 HD22 LEU 10 1HD2 LEU 10 2.198 -6.541 -0.791 85 HD23 LEU 10 2HD2 LEU 10 3.550 -7.420 -0.076 86 H THR 11 H THR 11 6.673 -4.158 -3.758 87 HA THR 11 HA THR 11 7.900 -6.716 -4.541 88 HB THR 11 HB THR 11 7.918 -4.950 -6.381 89 HG1 THR 11 HG1 THR 11 9.426 -6.401 -6.805 90 HG21 THR 11 3HG2 THR 11 9.619 -3.194 -6.214 91 HG22 THR 11 1HG2 THR 11 9.926 -3.653 -4.539 92 HG23 THR 11 2HG2 THR 11 8.358 -2.991 -4.999 93 HA PRO 12 HA PRO 12 10.137 -7.276 -4.797 94 HB2 PRO 12 1HB PRO 12 11.573 -9.111 -3.464 95 HB3 PRO 12 2HB PRO 12 12.256 -7.542 -3.912 96 HG2 PRO 12 1HG PRO 12 11.175 -8.457 -1.276 97 HG3 PRO 12 2HG PRO 12 12.623 -7.492 -1.619 98 HD2 PRO 12 1HD PRO 12 10.229 -6.431 -0.802 99 HD3 PRO 12 2HD PRO 12 11.437 -5.542 -1.750 100 H VAL 13 H VAL 13 9.364 -9.286 -5.430 101 HA VAL 13 HA VAL 13 7.091 -10.264 -3.967 102 HB VAL 13 HB VAL 13 6.829 -11.870 -5.828 103 HG11 VAL 13 1HG1 VAL 13 5.817 -9.666 -5.983 104 HG12 VAL 13 2HG1 VAL 13 6.353 -10.214 -7.571 105 HG13 VAL 13 3HG1 VAL 13 7.299 -9.018 -6.686 106 HG21 VAL 13 3HG2 VAL 13 9.186 -12.237 -6.351 107 HG22 VAL 13 1HG2 VAL 13 9.325 -10.576 -6.927 108 HG23 VAL 13 2HG2 VAL 13 8.295 -11.722 -7.785 109 H THR 14 H THR 14 10.359 -10.876 -3.781 110 HA THR 14 HA THR 14 9.865 -13.434 -2.456 111 HB THR 14 HB THR 14 12.331 -13.847 -3.192 112 HG1 THR 14 HG1 THR 14 12.805 -11.959 -4.242 113 HG21 THR 14 3HG2 THR 14 10.452 -15.251 -3.861 114 HG22 THR 14 1HG2 THR 14 11.548 -14.994 -5.218 115 HG23 THR 14 2HG2 THR 14 10.033 -14.095 -5.126 116 H VAL 15 H VAL 15 10.557 -13.474 -0.390 117 HA VAL 15 HA VAL 15 12.265 -11.238 0.499 118 HB VAL 15 HB VAL 15 10.986 -11.275 2.635 119 HG11 VAL 15 1HG1 VAL 15 9.002 -10.130 1.760 120 HG12 VAL 15 2HG1 VAL 15 9.354 -10.759 0.151 121 HG13 VAL 15 3HG1 VAL 15 10.470 -9.630 0.918 122 HG21 VAL 15 3HG2 VAL 15 9.149 -13.128 1.115 123 HG22 VAL 15 1HG2 VAL 15 8.799 -12.395 2.681 124 HG23 VAL 15 2HG2 VAL 15 10.123 -13.550 2.524 125 H VAL 16 H VAL 16 13.496 -11.581 2.442 126 HA VAL 16 HA VAL 16 14.633 -14.231 2.590 127 HB VAL 16 HB VAL 16 15.243 -11.819 4.311 128 HG11 VAL 16 1HG1 VAL 16 17.380 -12.945 4.722 129 HG12 VAL 16 2HG1 VAL 16 16.838 -14.322 3.763 130 HG13 VAL 16 3HG1 VAL 16 16.018 -13.920 5.273 131 HG21 VAL 16 3HG2 VAL 16 16.562 -12.740 1.757 132 HG22 VAL 16 1HG2 VAL 16 17.134 -11.432 2.793 133 HG23 VAL 16 2HG2 VAL 16 15.586 -11.285 1.962 134 HA PRO 17 HA PRO 17 11.622 -15.394 5.658 135 HB2 PRO 17 1HB PRO 17 12.989 -17.931 5.927 136 HB3 PRO 17 2HB PRO 17 11.441 -17.580 5.159 137 HG2 PRO 17 1HG PRO 17 13.663 -18.339 3.778 138 HG3 PRO 17 2HG PRO 17 12.376 -17.333 3.089 139 HD2 PRO 17 1HD PRO 17 15.048 -16.522 4.167 140 HD3 PRO 17 2HD PRO 17 14.177 -15.933 2.735 141 H ASN 18 H ASN 18 13.352 -13.762 6.928 142 HA ASN 18 HA ASN 18 13.211 -14.738 9.535 143 HB2 ASN 18 1HB ASN 18 15.699 -14.727 10.097 144 HB3 ASN 18 2HB ASN 18 15.083 -16.139 9.252 145 HD21 ASN 18 2HD2 ASN 18 15.888 -16.659 7.294 146 HD22 ASN 18 1HD2 ASN 18 17.155 -15.782 6.508 147 H THR 19 H THR 19 15.280 -12.603 7.609 148 HA THR 19 HA THR 19 15.431 -10.687 9.747 149 HB THR 19 HB THR 19 17.352 -11.166 8.230 150 HG1 THR 19 HG1 THR 19 18.061 -9.139 8.417 151 HG21 THR 19 3HG2 THR 19 17.387 -10.149 5.996 152 HG22 THR 19 1HG2 THR 19 15.698 -9.680 6.187 153 HG23 THR 19 2HG2 THR 19 16.137 -11.386 6.125 154 H VAL 20 H VAL 20 15.226 -8.266 8.931 155 HA VAL 20 HA VAL 20 12.442 -7.904 8.262 156 HB VAL 20 HB VAL 20 14.564 -5.794 8.696 157 HG11 VAL 20 1HG1 VAL 20 11.550 -5.624 8.742 158 HG12 VAL 20 2HG1 VAL 20 12.618 -4.949 7.510 159 HG13 VAL 20 3HG1 VAL 20 12.659 -4.313 9.155 160 HG21 VAL 20 3HG2 VAL 20 12.597 -6.968 10.656 161 HG22 VAL 20 1HG2 VAL 20 13.685 -5.617 10.970 162 HG23 VAL 20 2HG2 VAL 20 14.343 -7.223 10.658 163 H ASN 21 H ASN 21 11.670 -7.573 6.304 164 HA ASN 21 HA ASN 21 13.567 -7.029 4.129 165 HB2 ASN 21 1HB ASN 21 10.797 -8.242 4.109 166 HB3 ASN 21 2HB ASN 21 11.691 -7.833 2.649 167 HD21 ASN 21 2HD2 ASN 21 11.532 -9.933 5.414 168 HD22 ASN 21 1HD2 ASN 21 12.620 -11.136 4.820 169 H THR 22 H THR 22 13.428 -5.236 2.932 170 HA THR 22 HA THR 22 11.606 -3.161 3.779 171 HB THR 22 HB THR 22 13.625 -3.072 1.528 172 HG1 THR 22 HG1 THR 22 13.976 -3.224 4.218 173 HG21 THR 22 3HG2 THR 22 11.980 -1.255 1.514 174 HG22 THR 22 1HG2 THR 22 13.583 -0.655 1.942 175 HG23 THR 22 2HG2 THR 22 12.365 -0.890 3.196 176 H MET 23 H MET 23 9.570 -3.581 3.117 177 HA MET 23 HA MET 23 9.104 -4.564 0.413 178 HB2 MET 23 1HB MET 23 7.124 -4.087 2.647 179 HB3 MET 23 2HB MET 23 6.793 -4.900 1.127 180 HG2 MET 23 1HG MET 23 8.656 -5.849 3.289 181 HG3 MET 23 2HG MET 23 7.061 -6.500 2.918 182 HE1 MET 23 3HE MET 23 6.988 -6.533 -0.223 183 HE2 MET 23 1HE MET 23 6.487 -7.901 0.770 184 HE3 MET 23 2HE MET 23 7.608 -8.148 -0.569 185 H THR 24 H THR 24 8.296 -3.380 -1.191 186 HA THR 24 HA THR 24 7.611 -0.581 -0.582 187 HB THR 24 HB THR 24 8.744 -1.608 -3.188 188 HG1 THR 24 HG1 THR 24 9.969 -1.001 -0.777 189 HG21 THR 24 3HG2 THR 24 8.543 1.166 -2.006 190 HG22 THR 24 1HG2 THR 24 7.555 0.527 -3.320 191 HG23 THR 24 2HG2 THR 24 9.289 0.758 -3.551 192 H ALA 25 H ALA 25 5.524 -0.176 -0.847 193 HA ALA 25 HA ALA 25 4.002 -1.735 -2.824 194 HB1 ALA 25 3HB ALA 25 2.005 -1.060 -1.594 195 HB2 ALA 25 1HB ALA 25 2.994 -0.102 -0.492 196 HB3 ALA 25 2HB ALA 25 3.161 -1.857 -0.528 197 H THR 26 H THR 26 3.556 -0.758 -4.665 198 HA THR 26 HA THR 26 3.959 2.095 -4.946 199 HB THR 26 HB THR 26 3.096 0.124 -7.070 200 HG1 THR 26 HG1 THR 26 5.738 0.950 -6.363 201 HG21 THR 26 3HG2 THR 26 4.107 1.743 -8.604 202 HG22 THR 26 1HG2 THR 26 4.512 2.789 -7.241 203 HG23 THR 26 2HG2 THR 26 2.823 2.492 -7.655 204 H ILE 27 H ILE 27 2.341 3.406 -4.392 205 HA ILE 27 HA ILE 27 -0.425 2.513 -4.815 206 HB ILE 27 HB ILE 27 0.460 4.928 -3.234 207 HG12 ILE 27 1HG1 ILE 27 1.481 2.950 -2.225 208 HG13 ILE 27 2HG1 ILE 27 0.179 3.553 -1.207 209 HG21 ILE 27 1HG2 ILE 27 -2.106 3.343 -3.244 210 HG22 ILE 27 2HG2 ILE 27 -1.861 4.946 -3.938 211 HG23 ILE 27 3HG2 ILE 27 -1.748 4.716 -2.194 212 HD11 ILE 27 3HD1 ILE 27 0.188 1.125 -1.322 213 HD12 ILE 27 1HD1 ILE 27 0.007 1.200 -3.075 214 HD13 ILE 27 2HD1 ILE 27 -1.286 1.792 -2.030 215 H GLU 28 H GLU 28 -1.353 3.179 -6.596 216 HA GLU 28 HA GLU 28 -0.462 5.669 -7.885 217 HB2 GLU 28 1HB GLU 28 -2.177 3.434 -8.984 218 HB3 GLU 28 2HB GLU 28 -1.537 4.795 -9.890 219 HG2 GLU 28 1HG GLU 28 0.160 2.705 -8.560 220 HG3 GLU 28 2HG GLU 28 -0.343 2.652 -10.248 221 H ASN 29 H ASN 29 -1.814 7.407 -7.930 222 HA ASN 29 HA ASN 29 -4.544 7.058 -6.953 223 HB2 ASN 29 1HB ASN 29 -3.124 8.999 -6.207 224 HB3 ASN 29 2HB ASN 29 -3.202 9.619 -7.852 225 HD21 ASN 29 2HD2 ASN 29 -4.136 10.849 -5.411 226 HD22 ASN 29 1HD2 ASN 29 -5.832 11.131 -5.623 227 H GLN 30 H GLN 30 -5.826 6.180 -8.456 228 HA GLN 30 HA GLN 30 -5.519 6.954 -11.257 229 HB2 GLN 30 1HB GLN 30 -7.223 4.822 -9.960 230 HB3 GLN 30 2HB GLN 30 -7.111 5.105 -11.690 231 HG2 GLN 30 1HG GLN 30 -4.877 4.227 -9.875 232 HG3 GLN 30 2HG GLN 30 -5.741 3.223 -11.037 233 HE21 GLN 30 2HE2 GLN 30 -2.923 3.739 -10.899 234 HE22 GLN 30 1HE2 GLN 30 -2.465 4.481 -12.396 235 H GLY 31 H GLY 31 -6.611 8.890 -9.405 236 HA2 GLY 31 1HA GLY 31 -9.200 9.305 -10.714 237 HA3 GLY 31 2HA GLY 31 -9.149 9.303 -8.956 238 H ASN 32 H ASN 32 -10.087 11.515 -10.158 239 HA ASN 32 HA ASN 32 -7.849 13.366 -10.534 240 HB2 ASN 32 1HB ASN 32 -9.664 13.186 -12.264 241 HB3 ASN 32 2HB ASN 32 -10.783 13.850 -11.079 242 HD21 ASN 32 2HD2 ASN 32 -7.956 14.497 -13.014 243 HD22 ASN 32 1HD2 ASN 32 -8.070 16.222 -12.956 244 H LYS 33 H LYS 33 -8.000 12.735 -7.958 245 HA LYS 33 HA LYS 33 -8.386 15.348 -6.875 246 HB2 LYS 33 1HB LYS 33 -10.664 14.355 -6.644 247 HB3 LYS 33 2HB LYS 33 -9.970 13.098 -5.628 248 HG2 LYS 33 1HG LYS 33 -9.507 14.583 -3.897 249 HG3 LYS 33 2HG LYS 33 -9.637 15.995 -4.950 250 HD2 LYS 33 1HD LYS 33 -12.043 15.558 -5.203 251 HD3 LYS 33 2HD LYS 33 -11.895 14.189 -4.097 252 HE2 LYS 33 1HE LYS 33 -11.300 15.614 -2.283 253 HE3 LYS 33 2HE LYS 33 -11.119 17.003 -3.353 254 HZ1 LYS 33 3HZ LYS 33 -13.201 17.037 -2.089 255 HZ2 LYS 33 1HZ LYS 33 -13.678 15.590 -2.831 256 HZ3 LYS 33 2HZ LYS 33 -13.471 16.989 -3.764 257 H ASP 34 H ASP 34 -7.197 15.691 -5.018 258 HA ASP 34 HA ASP 34 -5.119 13.699 -4.582 259 HB2 ASP 34 1HB ASP 34 -5.216 16.361 -3.192 260 HB3 ASP 34 2HB ASP 34 -3.813 15.432 -3.708 261 H SER 35 H SER 35 -4.992 12.448 -2.795 262 HA SER 35 HA SER 35 -7.148 12.636 -0.868 263 HB2 SER 35 1HB SER 35 -6.131 10.517 0.030 264 HB3 SER 35 2HB SER 35 -6.610 10.426 -1.665 265 HG SER 35 HG SER 35 -4.573 9.566 -1.488 266 H THR 36 H THR 36 -6.807 12.764 1.416 267 HA THR 36 HA THR 36 -4.580 14.464 2.157 268 HB THR 36 HB THR 36 -6.458 13.445 4.229 269 HG1 THR 36 HG1 THR 36 -7.267 15.211 2.125 270 HG21 THR 36 3HG2 THR 36 -5.496 16.206 3.444 271 HG22 THR 36 1HG2 THR 36 -4.862 15.226 4.763 272 HG23 THR 36 2HG2 THR 36 -6.508 15.844 4.840 273 H SER 37 H SER 37 -4.036 13.674 4.763 274 HA SER 37 HA SER 37 -2.209 11.591 4.438 275 HB2 SER 37 1HB SER 37 -3.423 12.632 7.009 276 HB3 SER 37 2HB SER 37 -1.936 11.693 6.873 277 HG SER 37 HG SER 37 -1.788 13.780 5.209 278 H PHE 38 H PHE 38 -2.629 9.538 4.094 279 HA PHE 38 HA PHE 38 -4.904 8.316 5.501 280 HB2 PHE 38 1HB PHE 38 -5.337 6.908 3.553 281 HB3 PHE 38 2HB PHE 38 -5.443 8.608 3.116 282 HD1 PHE 38 HD2 PHE 38 -3.563 9.662 1.843 283 HD2 PHE 38 HD1 PHE 38 -3.802 5.468 2.516 284 HE1 PHE 38 HE2 PHE 38 -1.956 9.278 0.020 285 HE2 PHE 38 HE1 PHE 38 -2.199 5.084 0.693 286 HZ PHE 38 HZ PHE 38 -1.269 6.978 -0.547 287 H ASN 39 H ASN 39 -4.685 6.049 5.935 288 HA ASN 39 HA ASN 39 -1.881 5.418 6.531 289 HB2 ASN 39 1HB ASN 39 -4.486 4.594 7.792 290 HB3 ASN 39 2HB ASN 39 -3.003 3.694 8.100 291 HD21 ASN 39 2HD2 ASN 39 -4.721 5.351 9.866 292 HD22 ASN 39 1HD2 ASN 39 -3.643 6.514 10.564 293 H VAL 40 H VAL 40 -0.943 4.133 5.084 294 HA VAL 40 HA VAL 40 -2.542 2.003 3.859 295 HB VAL 40 HB VAL 40 -0.160 3.524 2.978 296 HG11 VAL 40 1HG1 VAL 40 0.614 1.711 1.487 297 HG12 VAL 40 2HG1 VAL 40 -0.433 0.583 2.350 298 HG13 VAL 40 3HG1 VAL 40 0.907 1.365 3.191 299 HG21 VAL 40 3HG2 VAL 40 -2.402 3.718 1.990 300 HG22 VAL 40 1HG2 VAL 40 -2.305 2.031 1.486 301 HG23 VAL 40 2HG2 VAL 40 -1.181 3.215 0.819 302 H SER 41 H SER 41 -2.450 0.049 4.641 303 HA SER 41 HA SER 41 -0.267 -0.613 6.501 304 HB2 SER 41 1HB SER 41 -3.127 -1.604 6.482 305 HB3 SER 41 2HB SER 41 -1.894 -2.027 7.669 306 HG SER 41 HG SER 41 -1.929 0.013 8.458 307 H LEU 42 H LEU 42 0.843 -2.461 6.233 308 HA LEU 42 HA LEU 42 0.108 -4.194 3.989 309 HB2 LEU 42 1HB LEU 42 2.424 -3.377 4.077 310 HB3 LEU 42 2HB LEU 42 2.623 -4.107 5.659 311 HG LEU 42 HG LEU 42 2.278 -6.341 4.646 312 HD11 LEU 42 1HD1 LEU 42 2.327 -4.821 2.042 313 HD12 LEU 42 2HD1 LEU 42 0.935 -5.660 2.726 314 HD13 LEU 42 3HD1 LEU 42 2.354 -6.576 2.218 315 HD21 LEU 42 3HD2 LEU 42 4.479 -4.700 3.404 316 HD22 LEU 42 1HD2 LEU 42 4.445 -6.458 3.532 317 HD23 LEU 42 2HD2 LEU 42 4.528 -5.468 4.990 318 H LEU 43 H LEU 43 -1.202 -5.804 4.491 319 HA LEU 43 HA LEU 43 -1.101 -6.938 7.182 320 HB2 LEU 43 1HB LEU 43 -3.104 -7.318 4.961 321 HB3 LEU 43 2HB LEU 43 -3.196 -8.100 6.527 322 HG LEU 43 HG LEU 43 -3.089 -5.547 7.335 323 HD11 LEU 43 1HD1 LEU 43 -4.477 -4.164 5.885 324 HD12 LEU 43 2HD1 LEU 43 -4.462 -5.437 4.664 325 HD13 LEU 43 3HD1 LEU 43 -2.963 -4.619 5.104 326 HD21 LEU 43 3HD2 LEU 43 -5.502 -5.662 7.581 327 HD22 LEU 43 1HD2 LEU 43 -4.770 -7.229 7.931 328 HD23 LEU 43 2HD2 LEU 43 -5.578 -6.956 6.385 329 H VAL 44 H VAL 44 -0.571 -8.985 7.617 330 HA VAL 44 HA VAL 44 0.043 -10.784 5.361 331 HB VAL 44 HB VAL 44 1.466 -10.617 8.031 332 HG11 VAL 44 1HG1 VAL 44 1.885 -12.549 5.751 333 HG12 VAL 44 2HG1 VAL 44 1.215 -12.940 7.335 334 HG13 VAL 44 3HG1 VAL 44 2.895 -12.422 7.191 335 HG21 VAL 44 3HG2 VAL 44 2.465 -10.139 5.227 336 HG22 VAL 44 1HG2 VAL 44 3.433 -10.064 6.700 337 HG23 VAL 44 2HG2 VAL 44 2.141 -8.892 6.434 338 H ASP 45 H ASP 45 -1.471 -12.280 5.282 339 HA ASP 45 HA ASP 45 -3.010 -13.850 5.834 340 HB2 ASP 45 1HB ASP 45 -1.224 -14.802 7.273 341 HB3 ASP 45 2HB ASP 45 -1.796 -13.801 8.603 342 H GLY 46 H GLY 46 -2.781 -12.168 8.936 343 HA2 GLY 46 1HA GLY 46 -5.261 -10.745 8.414 344 HA3 GLY 46 2HA GLY 46 -5.314 -11.924 9.717 345 H ILE 47 H ILE 47 -2.241 -10.557 9.415 346 HA ILE 47 HA ILE 47 -2.792 -8.773 11.702 347 HB ILE 47 HB ILE 47 -0.032 -9.703 11.017 348 HG12 ILE 47 1HG1 ILE 47 -1.911 -11.303 12.762 349 HG13 ILE 47 2HG1 ILE 47 -1.516 -11.736 11.100 350 HG21 ILE 47 1HG2 ILE 47 -1.408 -9.030 13.611 351 HG22 ILE 47 2HG2 ILE 47 -0.313 -7.986 12.704 352 HG23 ILE 47 3HG2 ILE 47 0.290 -9.473 13.438 353 HD11 ILE 47 3HD1 ILE 47 -0.193 -13.013 12.678 354 HD12 ILE 47 1HD1 ILE 47 0.433 -11.521 13.380 355 HD13 ILE 47 2HD1 ILE 47 0.833 -11.948 11.717 356 H VAL 48 H VAL 48 -1.793 -6.725 11.722 357 HA VAL 48 HA VAL 48 -0.838 -5.802 9.102 358 HB VAL 48 HB VAL 48 -1.537 -4.145 11.538 359 HG11 VAL 48 1HG1 VAL 48 -1.009 -3.370 8.671 360 HG12 VAL 48 2HG1 VAL 48 0.041 -3.052 10.052 361 HG13 VAL 48 3HG1 VAL 48 -1.539 -2.274 9.947 362 HG21 VAL 48 3HG2 VAL 48 -3.516 -5.286 10.692 363 HG22 VAL 48 1HG2 VAL 48 -3.171 -4.706 9.062 364 HG23 VAL 48 2HG2 VAL 48 -3.594 -3.560 10.333 365 H VAL 49 H VAL 49 1.301 -6.062 8.872 366 HA VAL 49 HA VAL 49 2.989 -6.290 11.190 367 HB VAL 49 HB VAL 49 4.839 -6.648 9.576 368 HG11 VAL 49 1HG1 VAL 49 2.362 -8.301 9.097 369 HG12 VAL 49 2HG1 VAL 49 3.527 -8.522 10.402 370 HG13 VAL 49 3HG1 VAL 49 4.015 -8.795 8.729 371 HG21 VAL 49 3HG2 VAL 49 4.053 -5.248 7.744 372 HG22 VAL 49 1HG2 VAL 49 2.678 -6.325 7.493 373 HG23 VAL 49 2HG2 VAL 49 4.318 -6.903 7.193 374 H ASP 50 H ASP 50 2.343 -3.853 8.763 375 HA ASP 50 HA ASP 50 3.643 -1.862 10.366 376 HB2 ASP 50 1HB ASP 50 5.511 -2.954 9.006 377 HB3 ASP 50 2HB ASP 50 4.744 -2.265 7.578 378 H THR 51 H THR 51 2.711 0.070 10.068 379 HA THR 51 HA THR 51 1.018 0.456 7.679 380 HB THR 51 HB THR 51 0.535 1.496 10.485 381 HG1 THR 51 HG1 THR 51 -0.135 -0.604 10.428 382 HG21 THR 51 3HG2 THR 51 -1.104 1.861 7.973 383 HG22 THR 51 1HG2 THR 51 -0.175 3.114 8.796 384 HG23 THR 51 2HG2 THR 51 -1.570 2.386 9.592 385 H GLN 52 H GLN 52 1.583 2.168 6.457 386 HA GLN 52 HA GLN 52 3.352 4.175 7.692 387 HB2 GLN 52 1HB GLN 52 4.184 2.806 5.685 388 HB3 GLN 52 2HB GLN 52 3.036 3.737 4.727 389 HG2 GLN 52 1HG GLN 52 4.230 5.770 5.892 390 HG3 GLN 52 2HG GLN 52 5.537 4.601 6.066 391 HE21 GLN 52 2HE2 GLN 52 3.621 6.446 3.842 392 HE22 GLN 52 1HE2 GLN 52 4.642 6.220 2.458 393 H THR 53 H THR 53 2.495 6.106 8.040 394 HA THR 53 HA THR 53 -0.055 6.817 6.903 395 HB THR 53 HB THR 53 1.793 8.491 8.619 396 HG1 THR 53 HG1 THR 53 -0.388 6.789 9.358 397 HG21 THR 53 3HG2 THR 53 0.069 9.788 7.457 398 HG22 THR 53 1HG2 THR 53 -0.258 9.716 9.189 399 HG23 THR 53 2HG2 THR 53 -1.175 8.699 8.076 400 H VAL 54 H VAL 54 0.004 7.337 4.794 401 HA VAL 54 HA VAL 54 2.216 8.822 3.662 402 HB VAL 54 HB VAL 54 -0.418 8.153 2.337 403 HG11 VAL 54 1HG1 VAL 54 0.872 9.859 1.192 404 HG12 VAL 54 2HG1 VAL 54 0.869 8.361 0.261 405 HG13 VAL 54 3HG1 VAL 54 2.292 8.813 1.198 406 HG21 VAL 54 3HG2 VAL 54 0.607 6.097 3.160 407 HG22 VAL 54 1HG2 VAL 54 2.123 6.525 2.365 408 HG23 VAL 54 2HG2 VAL 54 0.686 6.179 1.400 409 H THR 55 H THR 55 2.331 10.968 3.563 410 HA THR 55 HA THR 55 0.611 12.580 5.036 411 HB THR 55 HB THR 55 2.434 13.551 2.831 412 HG1 THR 55 HG1 THR 55 3.304 12.057 4.600 413 HG21 THR 55 3HG2 THR 55 0.942 15.260 3.756 414 HG22 THR 55 1HG2 THR 55 2.612 15.554 4.242 415 HG23 THR 55 2HG2 THR 55 1.473 14.848 5.387 416 H SER 56 H SER 56 0.782 12.140 1.510 417 HA SER 56 HA SER 56 -1.978 12.238 1.160 418 HB2 SER 56 1HB SER 56 -2.210 14.433 -0.029 419 HB3 SER 56 2HB SER 56 -1.924 14.592 1.702 420 HG SER 56 HG SER 56 0.453 14.590 0.573 421 H LEU 57 H LEU 57 -2.477 11.424 -0.834 422 HA LEU 57 HA LEU 57 -0.264 11.341 -2.766 423 HB2 LEU 57 1HB LEU 57 -1.141 9.137 -2.053 424 HB3 LEU 57 2HB LEU 57 -2.720 9.586 -2.672 425 HG LEU 57 HG LEU 57 -1.883 9.656 -4.939 426 HD11 LEU 57 1HD1 LEU 57 0.340 10.537 -4.478 427 HD12 LEU 57 2HD1 LEU 57 0.428 9.082 -5.471 428 HD13 LEU 57 3HD1 LEU 57 0.807 9.000 -3.750 429 HD21 LEU 57 3HD2 LEU 57 -2.589 7.483 -4.208 430 HD22 LEU 57 1HD2 LEU 57 -1.022 7.179 -3.457 431 HD23 LEU 57 2HD2 LEU 57 -1.151 7.300 -5.211 432 H GLU 58 H GLU 58 -0.384 12.862 -4.209 433 HA GLU 58 HA GLU 58 -2.709 14.378 -4.708 434 HB2 GLU 58 1HB GLU 58 -0.130 14.236 -6.276 435 HB3 GLU 58 2HB GLU 58 -1.351 15.494 -6.426 436 HG2 GLU 58 1HG GLU 58 -0.975 16.141 -4.103 437 HG3 GLU 58 2HG GLU 58 0.247 14.880 -3.952 438 H SER 59 H SER 59 -3.677 14.721 -6.816 439 HA SER 59 HA SER 59 -4.784 12.360 -7.837 440 HB2 SER 59 1HB SER 59 -5.547 14.016 -9.719 441 HB3 SER 59 2HB SER 59 -6.154 14.218 -8.076 442 HG SER 59 HG SER 59 -4.454 15.779 -7.762 443 H GLU 60 H GLU 60 -4.110 10.954 -9.268 444 HA GLU 60 HA GLU 60 -2.983 9.914 -10.930 445 HB2 GLU 60 1HB GLU 60 -2.496 12.719 -11.938 446 HB3 GLU 60 2HB GLU 60 -2.175 11.248 -12.845 447 HG2 GLU 60 1HG GLU 60 -4.522 10.690 -12.846 448 HG3 GLU 60 2HG GLU 60 -4.880 12.093 -11.838 449 H ASN 61 H ASN 61 -1.600 11.167 -8.476 450 HA ASN 61 HA ASN 61 1.155 11.155 -9.458 451 HB2 ASN 61 1HB ASN 61 0.443 12.943 -7.879 452 HB3 ASN 61 2HB ASN 61 0.112 11.708 -6.669 453 HD21 ASN 61 2HD2 ASN 61 2.575 13.385 -8.459 454 HD22 ASN 61 1HD2 ASN 61 3.903 12.930 -7.449 455 H SER 62 H SER 62 2.698 9.700 -8.681 456 HA SER 62 HA SER 62 1.555 7.240 -7.526 457 HB2 SER 62 1HB SER 62 4.073 7.541 -9.181 458 HB3 SER 62 2HB SER 62 3.325 6.031 -8.658 459 HG SER 62 HG SER 62 1.833 6.209 -10.164 460 H THR 63 H THR 63 2.401 6.464 -5.644 461 HA THR 63 HA THR 63 4.913 7.610 -4.676 462 HB THR 63 HB THR 63 2.329 7.629 -3.106 463 HG1 THR 63 HG1 THR 63 3.124 9.360 -4.759 464 HG21 THR 63 3HG2 THR 63 5.105 8.427 -2.211 465 HG22 THR 63 1HG2 THR 63 4.212 7.009 -1.657 466 HG23 THR 63 2HG2 THR 63 3.618 8.626 -1.282 467 H ASN 64 H ASN 64 6.204 6.170 -3.776 468 HA ASN 64 HA ASN 64 5.252 3.431 -3.492 469 HB2 ASN 64 1HB ASN 64 7.985 4.698 -3.564 470 HB3 ASN 64 2HB ASN 64 7.760 3.016 -3.095 471 HD21 ASN 64 2HD2 ASN 64 9.062 4.361 -5.440 472 HD22 ASN 64 1HD2 ASN 64 8.367 3.579 -6.820 473 H VAL 65 H VAL 65 4.989 2.407 -1.618 474 HA VAL 65 HA VAL 65 5.382 3.942 0.840 475 HB VAL 65 HB VAL 65 3.911 1.329 0.458 476 HG11 VAL 65 1HG1 VAL 65 4.621 1.714 2.749 477 HG12 VAL 65 2HG1 VAL 65 2.870 1.872 2.604 478 HG13 VAL 65 3HG1 VAL 65 3.879 3.313 2.723 479 HG21 VAL 65 3HG2 VAL 65 2.847 3.026 -0.875 480 HG22 VAL 65 1HG2 VAL 65 2.863 4.152 0.485 481 HG23 VAL 65 2HG2 VAL 65 1.862 2.701 0.553 482 H ASP 66 H ASP 66 6.774 3.383 2.385 483 HA ASP 66 HA ASP 66 8.596 1.151 1.818 484 HB2 ASP 66 1HB ASP 66 9.754 3.235 1.916 485 HB3 ASP 66 2HB ASP 66 8.910 3.716 3.382 486 H PHE 67 H PHE 67 7.890 -0.625 2.844 487 HA PHE 67 HA PHE 67 6.917 -0.376 5.605 488 HB2 PHE 67 1HB PHE 67 6.740 -2.641 3.621 489 HB3 PHE 67 2HB PHE 67 6.238 -2.782 5.297 490 HD1 PHE 67 HD1 PHE 67 4.629 -0.661 5.979 491 HD2 PHE 67 HD2 PHE 67 5.055 -2.426 2.131 492 HE1 PHE 67 HE1 PHE 67 2.366 0.098 5.384 493 HE2 PHE 67 HE2 PHE 67 2.798 -1.664 1.527 494 HZ PHE 67 HZ PHE 67 1.452 -0.409 3.156 495 H HIS 68 H HIS 68 7.805 -1.553 7.275 496 HA HIS 68 HA HIS 68 10.369 -2.892 6.680 497 HB2 HIS 68 1HB HIS 68 9.513 -1.464 9.212 498 HB3 HIS 68 2HB HIS 68 11.006 -2.380 9.039 499 HD1 HIS 68 HD1 HIS 68 12.977 -1.029 8.413 500 HD2 HIS 68 HD2 HIS 68 9.420 0.756 7.206 501 HE1 HIS 68 HE1 HIS 68 13.632 1.164 7.368 502 HE2 HIS 68 HE2 HIS 68 11.486 2.082 6.416 503 H TRP 69 H TRP 69 9.639 -4.941 6.390 504 HA TRP 69 HA TRP 69 7.771 -6.020 8.369 505 HB2 TRP 69 1HB TRP 69 6.956 -6.247 6.132 506 HB3 TRP 69 2HB TRP 69 8.488 -6.907 5.573 507 HD1 TRP 69 HD1 TRP 69 6.884 -8.261 8.773 508 HE1 TRP 69 HE1 TRP 69 6.171 -10.700 8.367 509 HE3 TRP 69 HE3 TRP 69 7.710 -8.515 3.738 510 HZ2 TRP 69 HZ2 TRP 69 5.987 -12.496 6.194 511 HZ3 TRP 69 HZ3 TRP 69 7.231 -10.624 2.569 512 HH2 TRP 69 HH2 TRP 69 6.381 -12.573 3.773 513 H THR 70 H THR 70 8.889 -6.783 10.040 514 HA THR 70 HA THR 70 11.266 -8.352 9.809 515 HB THR 70 HB THR 70 9.333 -8.375 12.135 516 HG1 THR 70 HG1 THR 70 11.388 -6.465 11.573 517 HG21 THR 70 3HG2 THR 70 11.374 -8.734 13.451 518 HG22 THR 70 1HG2 THR 70 12.336 -8.686 11.972 519 HG23 THR 70 2HG2 THR 70 11.174 -9.988 12.227 520 H LEU 71 H LEU 71 11.218 -10.297 8.828 521 HA LEU 71 HA LEU 71 8.862 -11.623 8.127 522 HB2 LEU 71 1HB LEU 71 11.467 -11.812 7.386 523 HB3 LEU 71 2HB LEU 71 11.275 -13.291 8.306 524 HG LEU 71 HG LEU 71 10.869 -13.841 6.043 525 HD11 LEU 71 1HD1 LEU 71 8.555 -14.583 6.010 526 HD12 LEU 71 2HD1 LEU 71 8.198 -13.532 7.381 527 HD13 LEU 71 3HD1 LEU 71 9.310 -14.888 7.574 528 HD21 LEU 71 3HD2 LEU 71 8.962 -11.530 5.940 529 HD22 LEU 71 1HD2 LEU 71 9.265 -12.681 4.639 530 HD23 LEU 71 2HD2 LEU 71 10.554 -11.609 5.185 531 H ASP 72 H ASP 72 11.374 -12.955 10.234 532 HA ASP 72 HA ASP 72 11.321 -14.229 12.108 533 HB2 ASP 72 1HB ASP 72 9.730 -12.723 13.106 534 HB3 ASP 72 2HB ASP 72 8.408 -13.439 12.192 535 H GLY 73 H GLY 73 8.520 -14.826 10.001 536 HA2 GLY 73 1HA GLY 73 8.322 -17.585 10.719 537 HA3 GLY 73 2HA GLY 73 7.479 -16.789 9.403 538 H THR 74 H THR 74 7.993 -19.042 8.549 539 HA THR 74 HA THR 74 10.467 -18.914 6.993 540 HB THR 74 HB THR 74 11.035 -20.231 8.977 541 HG1 THR 74 HG1 THR 74 12.109 -21.013 7.228 542 HG21 THR 74 3HG2 THR 74 8.756 -22.024 8.144 543 HG22 THR 74 1HG2 THR 74 8.813 -21.006 9.582 544 HG23 THR 74 2HG2 THR 74 9.917 -22.373 9.426 545 H ALA 75 H ALA 75 7.329 -18.929 6.714 546 HA ALA 75 HA ALA 75 6.769 -21.250 5.144 547 HB1 ALA 75 3HB ALA 75 4.661 -20.138 4.608 548 HB2 ALA 75 1HB ALA 75 5.263 -18.640 5.320 549 HB3 ALA 75 2HB ALA 75 4.999 -20.057 6.337 550 H ASN 76 H ASN 76 6.666 -21.455 2.909 551 HA ASN 76 HA ASN 76 8.573 -19.808 1.519 552 HB2 ASN 76 1HB ASN 76 8.405 -21.358 -0.291 553 HB3 ASN 76 2HB ASN 76 8.401 -22.287 1.201 554 HD21 ASN 76 2HD2 ASN 76 7.393 -22.855 -1.530 555 HD22 ASN 76 1HD2 ASN 76 5.742 -23.325 -1.306 556 H SER 77 H SER 77 5.349 -19.430 2.112 557 HA SER 77 HA SER 77 5.092 -17.498 -0.037 558 HB2 SER 77 1HB SER 77 3.087 -19.747 0.285 559 HB3 SER 77 2HB SER 77 2.943 -18.385 -0.827 560 HG SER 77 HG SER 77 5.326 -19.618 -1.134 561 H TYR 78 H TYR 78 4.503 -15.725 0.976 562 HA TYR 78 HA TYR 78 2.560 -15.947 3.176 563 HB2 TYR 78 1HB TYR 78 4.802 -14.020 2.672 564 HB3 TYR 78 2HB TYR 78 3.436 -13.546 3.679 565 HD1 TYR 78 HD2 TYR 78 6.286 -15.870 3.387 566 HD2 TYR 78 HD1 TYR 78 3.155 -14.423 5.876 567 HE1 TYR 78 HE2 TYR 78 7.305 -16.999 5.320 568 HE2 TYR 78 HE1 TYR 78 4.164 -15.545 7.810 569 HH TYR 78 HH TYR 78 5.666 -17.186 8.410 570 H THR 79 H THR 79 0.701 -14.816 3.124 571 HA THR 79 HA THR 79 0.022 -13.568 0.575 572 HB THR 79 HB THR 79 -1.775 -14.199 2.931 573 HG1 THR 79 HG1 THR 79 -0.696 -15.790 0.989 574 HG21 THR 79 3HG2 THR 79 -2.671 -12.464 1.452 575 HG22 THR 79 1HG2 THR 79 -3.591 -13.962 1.297 576 HG23 THR 79 2HG2 THR 79 -2.419 -13.515 0.057 577 H LEU 80 H LEU 80 0.859 -11.548 0.583 578 HA LEU 80 HA LEU 80 0.398 -9.849 2.910 579 HB2 LEU 80 1HB LEU 80 2.311 -9.802 0.642 580 HB3 LEU 80 2HB LEU 80 1.832 -8.261 1.327 581 HG LEU 80 HG LEU 80 2.626 -8.986 3.536 582 HD11 LEU 80 1HD1 LEU 80 3.512 -11.484 2.103 583 HD12 LEU 80 2HD1 LEU 80 2.266 -11.377 3.347 584 HD13 LEU 80 3HD1 LEU 80 3.949 -11.039 3.753 585 HD21 LEU 80 3HD2 LEU 80 4.658 -9.301 1.335 586 HD22 LEU 80 1HD2 LEU 80 5.017 -8.968 3.029 587 HD23 LEU 80 2HD2 LEU 80 4.135 -7.783 2.065 588 H THR 81 H THR 81 -0.881 -8.111 2.883 589 HA THR 81 HA THR 81 -2.294 -7.506 0.375 590 HB THR 81 HB THR 81 -3.609 -7.705 3.092 591 HG1 THR 81 HG1 THR 81 -2.858 -9.711 1.807 592 HG21 THR 81 3HG2 THR 81 -4.773 -7.357 0.326 593 HG22 THR 81 1HG2 THR 81 -4.684 -6.113 1.573 594 HG23 THR 81 2HG2 THR 81 -5.696 -7.537 1.818 595 H VAL 82 H VAL 82 -1.906 -5.450 -0.116 596 HA VAL 82 HA VAL 82 -1.364 -3.513 1.990 597 HB VAL 82 HB VAL 82 -1.436 -3.110 -1.009 598 HG11 VAL 82 1HG1 VAL 82 -1.832 -1.044 0.215 599 HG12 VAL 82 2HG1 VAL 82 -0.237 -1.021 -0.538 600 HG13 VAL 82 3HG1 VAL 82 -0.392 -1.329 1.192 601 HG21 VAL 82 3HG2 VAL 82 1.013 -3.114 -0.876 602 HG22 VAL 82 1HG2 VAL 82 0.331 -4.657 -0.359 603 HG23 VAL 82 2HG2 VAL 82 0.915 -3.504 0.841 604 H ASN 83 H ASN 83 -3.174 -2.904 3.034 605 HA ASN 83 HA ASN 83 -5.547 -2.286 1.418 606 HB2 ASN 83 1HB ASN 83 -5.747 -3.757 3.473 607 HB3 ASN 83 2HB ASN 83 -5.365 -2.332 4.436 608 HD21 ASN 83 2HD2 ASN 83 -7.369 -2.358 5.456 609 HD22 ASN 83 1HD2 ASN 83 -8.829 -1.913 4.642 610 H VAL 84 H VAL 84 -5.853 -0.282 0.817 611 HA VAL 84 HA VAL 84 -4.240 1.820 1.978 612 HB VAL 84 HB VAL 84 -6.162 1.876 -0.351 613 HG11 VAL 84 1HG1 VAL 84 -5.097 4.036 -0.886 614 HG12 VAL 84 2HG1 VAL 84 -4.240 3.973 0.654 615 HG13 VAL 84 3HG1 VAL 84 -6.001 4.081 0.627 616 HG21 VAL 84 3HG2 VAL 84 -3.145 1.891 -0.285 617 HG22 VAL 84 1HG2 VAL 84 -4.169 1.891 -1.720 618 HG23 VAL 84 2HG2 VAL 84 -4.143 0.483 -0.656 619 H ASP 85 H ASP 85 -4.907 2.604 3.796 620 HA ASP 85 HA ASP 85 -6.079 3.689 5.365 621 HB2 ASP 85 1HB ASP 85 -6.457 5.296 3.472 622 HB3 ASP 85 2HB ASP 85 -8.008 4.510 3.195 623 HA PRO 86 HA PRO 86 -9.078 0.298 5.934 624 HB2 PRO 86 1HB PRO 86 -7.918 0.108 8.593 625 HB3 PRO 86 2HB PRO 86 -7.949 -1.102 7.309 626 HG2 PRO 86 1HG PRO 86 -5.672 0.144 8.127 627 HG3 PRO 86 2HG PRO 86 -5.911 -0.459 6.476 628 HD2 PRO 86 1HD PRO 86 -6.156 2.335 7.531 629 HD3 PRO 86 2HD PRO 86 -5.445 1.763 6.006 630 H GLU 87 H GLU 87 -8.467 3.325 7.302 631 HA GLU 87 HA GLU 87 -10.718 3.163 9.160 632 HB2 GLU 87 1HB GLU 87 -8.817 5.445 8.579 633 HB3 GLU 87 2HB GLU 87 -10.050 5.433 9.833 634 HG2 GLU 87 1HG GLU 87 -8.889 3.481 10.856 635 HG3 GLU 87 2HG GLU 87 -7.597 3.701 9.675 636 H ASN 88 H ASN 88 -9.838 4.225 6.043 637 HA ASN 88 HA ASN 88 -10.924 5.200 4.326 638 HB2 ASN 88 1HB ASN 88 -12.614 3.422 4.862 639 HB3 ASN 88 2HB ASN 88 -13.473 4.605 5.844 640 HD21 ASN 88 2HD2 ASN 88 -12.622 3.618 2.634 641 HD22 ASN 88 1HD2 ASN 88 -13.745 4.636 1.806 642 H ALA 89 H ALA 89 -9.829 7.081 5.339 643 HA ALA 89 HA ALA 89 -11.661 9.056 6.476 644 HB1 ALA 89 3HB ALA 89 -9.431 8.778 7.473 645 HB2 ALA 89 1HB ALA 89 -9.665 10.404 6.830 646 HB3 ALA 89 2HB ALA 89 -8.694 9.233 5.937 647 H VAL 90 H VAL 90 -9.958 8.256 3.560 648 HA VAL 90 HA VAL 90 -11.029 10.666 2.251 649 HB VAL 90 HB VAL 90 -9.103 8.760 0.939 650 HG11 VAL 90 1HG1 VAL 90 -9.641 11.710 0.626 651 HG12 VAL 90 2HG1 VAL 90 -10.164 10.423 -0.462 652 HG13 VAL 90 3HG1 VAL 90 -8.447 10.785 -0.286 653 HG21 VAL 90 3HG2 VAL 90 -8.029 9.295 3.043 654 HG22 VAL 90 1HG2 VAL 90 -8.348 11.014 2.802 655 HG23 VAL 90 2HG2 VAL 90 -7.231 10.167 1.732 656 H ASN 91 H ASN 91 -12.589 10.457 0.698 657 HA ASN 91 HA ASN 91 -13.794 7.846 0.369 658 HB2 ASN 91 1HB ASN 91 -15.234 9.824 0.639 659 HB3 ASN 91 2HB ASN 91 -14.573 10.508 -0.842 660 HD21 ASN 91 2HD2 ASN 91 -16.585 10.580 -1.831 661 HD22 ASN 91 1HD2 ASN 91 -17.392 9.155 -2.396 662 H GLU 92 H GLU 92 -13.025 6.480 -1.046 663 HA GLU 92 HA GLU 92 -11.570 7.468 -3.381 664 HB2 GLU 92 1HB GLU 92 -11.674 4.699 -2.179 665 HB3 GLU 92 2HB GLU 92 -10.655 5.200 -3.521 666 HG2 GLU 92 1HG GLU 92 -10.507 6.241 -0.703 667 HG3 GLU 92 2HG GLU 92 -9.398 5.090 -1.449 668 H GLY 93 H GLY 93 -11.704 5.986 -5.315 669 HA2 GLY 93 1HA GLY 93 -14.255 5.850 -6.424 670 HA3 GLY 93 2HA GLY 93 -12.853 4.969 -7.009 671 H ASN 94 H ASN 94 -12.690 2.810 -6.628 672 HA ASN 94 HA ASN 94 -15.053 1.559 -5.407 673 HB2 ASN 94 1HB ASN 94 -12.854 0.276 -7.050 674 HB3 ASN 94 2HB ASN 94 -14.340 -0.500 -6.517 675 HD21 ASN 94 2HD2 ASN 94 -13.328 -0.179 -9.193 676 HD22 ASN 94 1HD2 ASN 94 -14.526 0.709 -10.078 677 H GLU 95 H GLU 95 -14.926 0.400 -3.541 678 HA GLU 95 HA GLU 95 -12.688 0.596 -1.864 679 HB2 GLU 95 1HB GLU 95 -14.966 0.178 -1.034 680 HB3 GLU 95 2HB GLU 95 -14.935 -1.426 -1.753 681 HG2 GLU 95 1HG GLU 95 -13.104 -2.063 -0.281 682 HG3 GLU 95 2HG GLU 95 -13.108 -0.451 0.431 683 H SER 96 H SER 96 -13.558 -1.764 -4.264 684 HA SER 96 HA SER 96 -11.789 -3.830 -3.512 685 HB2 SER 96 1HB SER 96 -12.657 -3.178 -6.332 686 HB3 SER 96 2HB SER 96 -12.244 -4.757 -5.664 687 HG SER 96 HG SER 96 -14.143 -4.040 -4.135 688 H ASN 97 H ASN 97 -11.301 -0.762 -4.909 689 HA ASN 97 HA ASN 97 -8.848 -1.385 -6.289 690 HB2 ASN 97 1HB ASN 97 -10.334 1.176 -5.712 691 HB3 ASN 97 2HB ASN 97 -8.755 1.170 -6.481 692 HD21 ASN 97 2HD2 ASN 97 -9.743 2.163 -8.306 693 HD22 ASN 97 1HD2 ASN 97 -10.628 1.196 -9.442 694 H ASN 98 H ASN 98 -9.799 -0.491 -3.121 695 HA ASN 98 HA ASN 98 -7.331 0.768 -2.351 696 HB2 ASN 98 1HB ASN 98 -9.661 -0.260 -0.718 697 HB3 ASN 98 2HB ASN 98 -8.280 0.586 -0.032 698 HD21 ASN 98 2HD2 ASN 98 -8.090 2.777 -0.304 699 HD22 ASN 98 1HD2 ASN 98 -9.361 3.758 -0.947 700 H THR 99 H THR 99 -8.041 -2.381 -3.014 701 HA THR 99 HA THR 99 -6.331 -3.425 -0.857 702 HB THR 99 HB THR 99 -8.125 -5.118 -2.573 703 HG1 THR 99 HG1 THR 99 -8.926 -3.223 -0.867 704 HG21 THR 99 3HG2 THR 99 -6.445 -6.266 -1.213 705 HG22 THR 99 1HG2 THR 99 -8.075 -6.608 -0.630 706 HG23 THR 99 2HG2 THR 99 -7.055 -5.454 0.229 707 H LEU 100 H LEU 100 -4.785 -4.997 -1.363 708 HA LEU 100 HA LEU 100 -4.225 -5.632 -4.144 709 HB2 LEU 100 1HB LEU 100 -2.846 -3.680 -3.841 710 HB3 LEU 100 2HB LEU 100 -2.247 -4.278 -2.306 711 HG LEU 100 HG LEU 100 -1.138 -6.155 -3.547 712 HD11 LEU 100 1HD1 LEU 100 -2.491 -6.154 -5.559 713 HD12 LEU 100 2HD1 LEU 100 -0.793 -5.886 -5.959 714 HD13 LEU 100 3HD1 LEU 100 -1.924 -4.533 -5.963 715 HD21 LEU 100 3HD2 LEU 100 0.116 -4.206 -2.827 716 HD22 LEU 100 1HD2 LEU 100 -0.327 -3.354 -4.306 717 HD23 LEU 100 2HD2 LEU 100 0.704 -4.781 -4.386 718 H THR 101 H THR 101 -4.495 -7.777 -3.921 719 HA THR 101 HA THR 101 -3.339 -9.168 -1.633 720 HB THR 101 HB THR 101 -4.780 -10.431 -3.970 721 HG1 THR 101 HG1 THR 101 -6.440 -9.300 -3.268 722 HG21 THR 101 3HG2 THR 101 -3.568 -11.958 -2.483 723 HG22 THR 101 1HG2 THR 101 -5.312 -12.174 -2.329 724 HG23 THR 101 2HG2 THR 101 -4.420 -11.287 -1.093 725 H ALA 102 H ALA 102 -1.146 -9.192 -1.899 726 HA ALA 102 HA ALA 102 -0.131 -10.252 -4.455 727 HB1 ALA 102 3HB ALA 102 1.252 -8.385 -2.533 728 HB2 ALA 102 1HB ALA 102 0.541 -7.937 -4.083 729 HB3 ALA 102 2HB ALA 102 1.934 -9.017 -4.032 730 H LEU 103 H LEU 103 0.684 -12.202 -4.345 731 HA LEU 103 HA LEU 103 1.383 -13.347 -1.772 732 HB2 LEU 103 1HB LEU 103 1.330 -14.510 -4.552 733 HB3 LEU 103 2HB LEU 103 1.810 -15.412 -3.127 734 HG LEU 103 HG LEU 103 -0.903 -14.191 -3.597 735 HD11 LEU 103 1HD1 LEU 103 -1.648 -16.521 -3.769 736 HD12 LEU 103 2HD1 LEU 103 0.028 -17.054 -3.633 737 HD13 LEU 103 3HD1 LEU 103 -0.486 -16.109 -5.030 738 HD21 LEU 103 3HD2 LEU 103 -1.551 -15.431 -1.580 739 HD22 LEU 103 1HD2 LEU 103 -0.331 -14.202 -1.242 740 HD23 LEU 103 2HD2 LEU 103 0.133 -15.901 -1.344 741 H VAL 104 H VAL 104 3.322 -13.304 -0.979 742 HA VAL 104 HA VAL 104 5.567 -12.832 -2.820 743 HB VAL 104 HB VAL 104 6.791 -11.765 -1.026 744 HG11 VAL 104 1HG1 VAL 104 5.280 -10.370 -2.358 745 HG12 VAL 104 2HG1 VAL 104 5.445 -9.762 -0.710 746 HG13 VAL 104 3HG1 VAL 104 3.992 -10.647 -1.182 747 HG21 VAL 104 3HG2 VAL 104 6.034 -12.996 0.890 748 HG22 VAL 104 1HG2 VAL 104 4.393 -12.378 0.690 749 HG23 VAL 104 2HG2 VAL 104 5.697 -11.283 1.148 750 H GLY 105 H GLY 105 7.321 -14.151 -2.739 751 HA2 GLY 105 1HA GLY 105 6.937 -16.582 -1.112 752 HA3 GLY 105 2HA GLY 105 7.754 -16.533 -2.670 753 H THR 106 H THR 106 9.231 -17.746 -0.994 754 HA THR 106 HA THR 106 10.856 -15.942 0.557 755 HB THR 106 HB THR 106 12.262 -18.005 0.927 756 HG1 THR 106 HG1 THR 106 11.038 -19.994 0.343 757 HG21 THR 106 3HG2 THR 106 9.320 -18.088 1.600 758 HG22 THR 106 1HG2 THR 106 10.606 -17.344 2.551 759 HG23 THR 106 2HG2 THR 106 10.550 -19.097 2.366 760 H LEU 107 H LEU 107 13.086 -15.583 0.198 761 HA LEU 107 HA LEU 107 13.822 -14.776 -2.328 762 HB2 LEU 107 1HB LEU 107 14.897 -14.176 -0.135 763 HB3 LEU 107 2HB LEU 107 15.721 -15.722 -0.182 764 HG LEU 107 HG LEU 107 16.869 -15.043 -2.254 765 HD11 LEU 107 1HD1 LEU 107 16.748 -12.713 -2.991 766 HD12 LEU 107 2HD1 LEU 107 15.487 -12.402 -1.798 767 HD13 LEU 107 3HD1 LEU 107 15.183 -13.517 -3.130 768 HD21 LEU 107 3HD2 LEU 107 18.337 -13.373 -1.232 769 HD22 LEU 107 1HD2 LEU 107 17.930 -14.659 -0.096 770 HD23 LEU 107 2HD2 LEU 107 17.135 -13.089 0.028 771 H GLU 108 H GLU 108 14.246 -15.850 -4.120 772 HA GLU 108 HA GLU 108 14.236 -18.629 -4.329 773 HB2 GLU 108 1HB GLU 108 13.723 -17.022 -6.169 774 HB3 GLU 108 2HB GLU 108 15.442 -16.673 -6.292 775 HG2 GLU 108 1HG GLU 108 15.773 -19.145 -6.716 776 HG3 GLU 108 2HG GLU 108 14.022 -19.244 -6.902 777 H HIS 109 H HIS 109 16.965 -16.367 -4.575 778 HA HIS 109 HA HIS 109 18.848 -18.581 -4.550 779 HB2 HIS 109 1HB HIS 109 19.298 -15.594 -4.720 780 HB3 HIS 109 2HB HIS 109 20.566 -16.810 -4.825 781 HD1 HIS 109 HD1 HIS 109 17.844 -15.205 -6.778 782 HD2 HIS 109 HD2 HIS 109 20.598 -18.289 -7.248 783 HE1 HIS 109 HE1 HIS 109 17.814 -15.773 -9.227 784 HE2 HIS 109 HE2 HIS 109 19.546 -17.577 -9.511 785 H HIS 110 H HIS 110 19.395 -19.445 -2.712 786 HA HIS 110 HA HIS 110 18.825 -18.176 -0.209 787 HB2 HIS 110 1HB HIS 110 20.004 -20.816 -1.012 788 HB3 HIS 110 2HB HIS 110 20.051 -20.293 0.666 789 HD1 HIS 110 HD1 HIS 110 17.741 -21.552 -1.975 790 HD2 HIS 110 HD2 HIS 110 17.572 -20.265 1.979 791 HE1 HIS 110 HE1 HIS 110 15.489 -22.276 -1.115 792 HE2 HIS 110 HE2 HIS 110 15.542 -21.734 1.343 793 H HIS 111 H HIS 111 20.113 -16.567 0.496 794 HA HIS 111 HA HIS 111 22.935 -16.516 0.200 795 HB2 HIS 111 1HB HIS 111 21.676 -14.490 0.797 796 HB3 HIS 111 2HB HIS 111 21.191 -15.227 2.320 797 HD1 HIS 111 HD1 HIS 111 22.638 -14.702 4.271 798 HD2 HIS 111 HD2 HIS 111 24.622 -14.155 0.653 799 HE1 HIS 111 HE1 HIS 111 24.877 -13.724 4.862 800 HE2 HIS 111 HE2 HIS 111 25.973 -13.218 2.650 801 H HIS 112 H HIS 112 20.923 -17.236 3.055 802 HA HIS 112 HA HIS 112 22.928 -19.188 3.923 803 HB2 HIS 112 1HB HIS 112 21.774 -17.562 5.553 804 HB3 HIS 112 2HB HIS 112 20.327 -18.537 5.322 805 HD1 HIS 112 HD1 HIS 112 20.058 -19.949 7.346 806 HD2 HIS 112 HD2 HIS 112 24.037 -19.669 6.161 807 HE1 HIS 112 HE1 HIS 112 21.343 -21.432 8.918 808 HE2 HIS 112 HE2 HIS 112 23.741 -21.290 8.156 809 H HIS 113 H HIS 113 22.752 -21.144 3.077 810 HA HIS 113 HA HIS 113 20.663 -21.770 1.297 811 HB2 HIS 113 1HB HIS 113 22.803 -23.555 2.467 812 HB3 HIS 113 2HB HIS 113 21.758 -23.992 1.117 813 HD1 HIS 113 HD1 HIS 113 22.127 -22.684 -1.132 814 HD2 HIS 113 HD2 HIS 113 24.941 -21.912 1.830 815 HE1 HIS 113 HE1 HIS 113 24.023 -21.498 -2.286 816 HE2 HIS 113 HE2 HIS 113 25.586 -20.828 -0.427 817 H HIS 114 H HIS 114 21.320 -22.875 4.583 818 HA HIS 114 HA HIS 114 18.543 -23.437 4.988 819 HB2 HIS 114 1HB HIS 114 18.800 -25.816 5.599 820 HB3 HIS 114 2HB HIS 114 19.144 -25.539 3.897 821 HD1 HIS 114 HD1 HIS 114 20.683 -26.694 7.075 822 HD2 HIS 114 HD2 HIS 114 21.864 -25.890 3.166 823 HE1 HIS 114 HE1 HIS 114 22.967 -27.718 6.828 824 HE2 HIS 114 HE2 HIS 114 23.718 -27.104 4.502 Start of MODEL 15 1 H1 MET 1 1H MET 1 -15.992 14.467 -8.323 2 H2 MET 1 2H MET 1 -15.023 13.475 -9.292 3 H3 MET 1 3H MET 1 -15.300 15.083 -9.747 4 HA MET 1 HA MET 1 -13.094 14.784 -8.825 5 HB2 MET 1 1HB MET 1 -15.038 16.421 -7.196 6 HB3 MET 1 2HB MET 1 -13.298 16.501 -6.968 7 HG2 MET 1 1HG MET 1 -14.730 17.127 -9.539 8 HG3 MET 1 2HG MET 1 -14.176 18.320 -8.369 9 HE1 MET 1 3HE MET 1 -11.406 16.878 -7.467 10 HE2 MET 1 1HE MET 1 -11.570 18.616 -7.723 11 HE3 MET 1 2HE MET 1 -10.271 17.726 -8.517 12 H ILE 2 H ILE 2 -12.780 12.603 -8.131 13 HA ILE 2 HA ILE 2 -12.763 12.424 -5.222 14 HB ILE 2 HB ILE 2 -14.868 11.283 -6.131 15 HG12 ILE 2 1HG1 ILE 2 -12.936 9.548 -4.577 16 HG13 ILE 2 2HG1 ILE 2 -13.876 10.866 -3.883 17 HG21 ILE 2 1HG2 ILE 2 -13.832 10.236 -8.096 18 HG22 ILE 2 2HG2 ILE 2 -14.621 9.049 -7.056 19 HG23 ILE 2 3HG2 ILE 2 -12.865 9.213 -7.031 20 HD11 ILE 2 3HD1 ILE 2 -14.994 8.378 -5.150 21 HD12 ILE 2 1HD1 ILE 2 -15.937 9.694 -4.452 22 HD13 ILE 2 2HD1 ILE 2 -14.894 8.715 -3.422 23 HA PRO 3 HA PRO 3 -8.765 10.544 -6.114 24 HB2 PRO 3 1HB PRO 3 -8.962 9.499 -3.367 25 HB3 PRO 3 2HB PRO 3 -7.753 10.580 -4.070 26 HG2 PRO 3 1HG PRO 3 -9.568 11.454 -2.290 27 HG3 PRO 3 2HG PRO 3 -8.993 12.475 -3.622 28 HD2 PRO 3 1HD PRO 3 -11.554 10.938 -3.381 29 HD3 PRO 3 2HD PRO 3 -11.277 12.572 -4.023 30 H ASP 4 H ASP 4 -8.085 8.466 -6.621 31 HA ASP 4 HA ASP 4 -9.828 6.254 -5.771 32 HB2 ASP 4 1HB ASP 4 -10.326 6.810 -8.130 33 HB3 ASP 4 2HB ASP 4 -8.630 6.566 -8.535 34 H LEU 5 H LEU 5 -8.498 5.515 -4.235 35 HA LEU 5 HA LEU 5 -5.652 5.487 -4.544 36 HB2 LEU 5 1HB LEU 5 -7.405 4.307 -2.389 37 HB3 LEU 5 2HB LEU 5 -5.664 4.490 -2.301 38 HG LEU 5 HG LEU 5 -7.580 6.806 -2.579 39 HD11 LEU 5 1HD1 LEU 5 -6.201 5.756 -0.112 40 HD12 LEU 5 2HD1 LEU 5 -7.929 5.665 -0.448 41 HD13 LEU 5 3HD1 LEU 5 -7.158 7.233 -0.215 42 HD21 LEU 5 3HD2 LEU 5 -5.630 8.138 -1.930 43 HD22 LEU 5 1HD2 LEU 5 -5.341 7.248 -3.425 44 HD23 LEU 5 2HD2 LEU 5 -4.641 6.677 -1.910 45 H VAL 6 H VAL 6 -4.878 4.092 -5.999 46 HA VAL 6 HA VAL 6 -5.832 1.310 -5.923 47 HB VAL 6 HB VAL 6 -4.285 2.737 -8.096 48 HG11 VAL 6 1HG1 VAL 6 -3.786 0.358 -8.026 49 HG12 VAL 6 2HG1 VAL 6 -4.745 0.754 -9.452 50 HG13 VAL 6 3HG1 VAL 6 -5.509 -0.019 -8.062 51 HG21 VAL 6 3HG2 VAL 6 -6.307 2.742 -9.378 52 HG22 VAL 6 1HG2 VAL 6 -6.625 3.512 -7.826 53 HG23 VAL 6 2HG2 VAL 6 -7.164 1.857 -8.118 54 HA PRO 7 HA PRO 7 -1.655 0.427 -4.373 55 HB2 PRO 7 1HB PRO 7 -2.277 -2.051 -3.474 56 HB3 PRO 7 2HB PRO 7 -2.576 -0.595 -2.521 57 HG2 PRO 7 1HG PRO 7 -4.483 -2.210 -4.155 58 HG3 PRO 7 2HG PRO 7 -4.726 -1.448 -2.574 59 HD2 PRO 7 1HD PRO 7 -5.626 -0.381 -4.925 60 HD3 PRO 7 2HD PRO 7 -5.218 0.590 -3.497 61 H VAL 8 H VAL 8 -0.515 0.145 -6.182 62 HA VAL 8 HA VAL 8 -1.579 -1.382 -8.371 63 HB VAL 8 HB VAL 8 1.114 -0.034 -8.252 64 HG11 VAL 8 1HG1 VAL 8 0.761 0.233 -10.663 65 HG12 VAL 8 2HG1 VAL 8 -0.755 -0.656 -10.527 66 HG13 VAL 8 3HG1 VAL 8 0.775 -1.464 -10.177 67 HG21 VAL 8 3HG2 VAL 8 -1.547 1.197 -8.951 68 HG22 VAL 8 1HG2 VAL 8 0.026 1.970 -9.138 69 HG23 VAL 8 2HG2 VAL 8 -0.571 1.564 -7.529 70 H SER 9 H SER 9 1.410 -1.544 -6.418 71 HA SER 9 HA SER 9 1.458 -4.403 -6.720 72 HB2 SER 9 1HB SER 9 2.496 -3.589 -8.844 73 HB3 SER 9 2HB SER 9 3.748 -2.800 -7.885 74 HG SER 9 HG SER 9 4.215 -4.990 -8.735 75 H LEU 10 H LEU 10 3.668 -5.216 -5.805 76 HA LEU 10 HA LEU 10 4.629 -3.613 -3.572 77 HB2 LEU 10 1HB LEU 10 2.782 -4.718 -2.538 78 HB3 LEU 10 2HB LEU 10 3.169 -6.239 -3.315 79 HG LEU 10 HG LEU 10 5.225 -6.381 -1.920 80 HD11 LEU 10 1HD1 LEU 10 5.421 -4.951 0.038 81 HD12 LEU 10 2HD1 LEU 10 4.040 -3.998 -0.510 82 HD13 LEU 10 3HD1 LEU 10 5.533 -4.011 -1.451 83 HD21 LEU 10 3HD2 LEU 10 4.057 -6.975 0.139 84 HD22 LEU 10 1HD2 LEU 10 3.188 -7.544 -1.286 85 HD23 LEU 10 2HD2 LEU 10 2.625 -6.112 -0.425 86 H THR 11 H THR 11 6.742 -3.651 -4.093 87 HA THR 11 HA THR 11 7.889 -6.212 -4.974 88 HB THR 11 HB THR 11 9.730 -4.645 -5.926 89 HG1 THR 11 HG1 THR 11 7.706 -2.768 -6.323 90 HG21 THR 11 3HG2 THR 11 8.493 -4.414 -8.031 91 HG22 THR 11 1HG2 THR 11 6.986 -4.763 -7.185 92 HG23 THR 11 2HG2 THR 11 8.237 -6.000 -7.305 93 HA PRO 12 HA PRO 12 9.679 -7.029 -5.350 94 HB2 PRO 12 1HB PRO 12 11.356 -8.897 -4.442 95 HB3 PRO 12 2HB PRO 12 11.949 -7.319 -4.974 96 HG2 PRO 12 1HG PRO 12 11.541 -8.359 -2.207 97 HG3 PRO 12 2HG PRO 12 12.823 -7.307 -2.836 98 HD2 PRO 12 1HD PRO 12 10.560 -6.461 -1.431 99 HD3 PRO 12 2HD PRO 12 11.609 -5.430 -2.422 100 H VAL 13 H VAL 13 8.809 -9.122 -5.765 101 HA VAL 13 HA VAL 13 6.870 -9.961 -3.776 102 HB VAL 13 HB VAL 13 6.041 -11.510 -5.497 103 HG11 VAL 13 1HG1 VAL 13 5.284 -9.825 -7.111 104 HG12 VAL 13 2HG1 VAL 13 6.501 -8.704 -6.501 105 HG13 VAL 13 3HG1 VAL 13 5.189 -9.238 -5.452 106 HG21 VAL 13 3HG2 VAL 13 8.299 -10.434 -7.187 107 HG22 VAL 13 1HG2 VAL 13 6.991 -11.466 -7.764 108 HG23 VAL 13 2HG2 VAL 13 8.142 -12.082 -6.579 109 H THR 14 H THR 14 9.943 -10.497 -3.775 110 HA THR 14 HA THR 14 9.683 -13.137 -2.590 111 HB THR 14 HB THR 14 12.016 -12.782 -4.424 112 HG1 THR 14 HG1 THR 14 9.353 -12.977 -5.217 113 HG21 THR 14 3HG2 THR 14 11.933 -15.154 -4.554 114 HG22 THR 14 1HG2 THR 14 10.299 -15.194 -3.889 115 HG23 THR 14 2HG2 THR 14 11.652 -14.738 -2.862 116 H VAL 15 H VAL 15 10.763 -13.087 -0.643 117 HA VAL 15 HA VAL 15 12.680 -10.867 -0.283 118 HB VAL 15 HB VAL 15 11.643 -10.420 1.935 119 HG11 VAL 15 1HG1 VAL 15 9.823 -10.091 -0.447 120 HG12 VAL 15 2HG1 VAL 15 11.122 -8.999 0.035 121 HG13 VAL 15 3HG1 VAL 15 9.704 -9.194 1.068 122 HG21 VAL 15 3HG2 VAL 15 9.473 -12.247 0.907 123 HG22 VAL 15 1HG2 VAL 15 9.372 -11.247 2.358 124 HG23 VAL 15 2HG2 VAL 15 10.544 -12.563 2.272 125 H VAL 16 H VAL 16 14.139 -11.057 1.465 126 HA VAL 16 HA VAL 16 15.010 -13.744 1.964 127 HB VAL 16 HB VAL 16 16.052 -11.290 3.371 128 HG11 VAL 16 1HG1 VAL 16 17.363 -13.885 2.587 129 HG12 VAL 16 2HG1 VAL 16 16.855 -13.421 4.210 130 HG13 VAL 16 3HG1 VAL 16 18.154 -12.540 3.407 131 HG21 VAL 16 3HG2 VAL 16 17.665 -11.009 1.551 132 HG22 VAL 16 1HG2 VAL 16 16.009 -10.776 0.990 133 HG23 VAL 16 2HG2 VAL 16 16.855 -12.284 0.640 134 HA PRO 17 HA PRO 17 12.721 -14.157 5.799 135 HB2 PRO 17 1HB PRO 17 14.222 -16.615 6.216 136 HB3 PRO 17 2HB PRO 17 12.501 -16.411 5.882 137 HG2 PRO 17 1HG PRO 17 14.237 -17.505 4.098 138 HG3 PRO 17 2HG PRO 17 12.780 -16.618 3.617 139 HD2 PRO 17 1HD PRO 17 15.627 -15.691 3.690 140 HD3 PRO 17 2HD PRO 17 14.367 -15.377 2.475 141 H ASN 18 H ASN 18 13.515 -15.063 8.073 142 HA ASN 18 HA ASN 18 14.655 -14.642 9.964 143 HB2 ASN 18 1HB ASN 18 16.885 -15.422 10.065 144 HB3 ASN 18 2HB ASN 18 16.084 -16.376 8.828 145 HD21 ASN 18 2HD2 ASN 18 16.757 -16.208 6.703 146 HD22 ASN 18 1HD2 ASN 18 18.188 -15.358 6.240 147 H THR 19 H THR 19 14.340 -12.241 8.026 148 HA THR 19 HA THR 19 15.918 -10.473 9.702 149 HB THR 19 HB THR 19 17.411 -11.005 7.779 150 HG1 THR 19 HG1 THR 19 17.683 -8.696 7.172 151 HG21 THR 19 3HG2 THR 19 15.274 -9.635 6.141 152 HG22 THR 19 1HG2 THR 19 15.713 -11.341 6.052 153 HG23 THR 19 2HG2 THR 19 16.873 -10.105 5.562 154 H VAL 20 H VAL 20 15.399 -8.152 9.208 155 HA VAL 20 HA VAL 20 12.564 -7.881 8.515 156 HB VAL 20 HB VAL 20 14.371 -5.799 9.760 157 HG11 VAL 20 1HG1 VAL 20 12.256 -4.726 10.396 158 HG12 VAL 20 2HG1 VAL 20 11.367 -5.986 9.538 159 HG13 VAL 20 3HG1 VAL 20 12.416 -4.882 8.646 160 HG21 VAL 20 3HG2 VAL 20 13.322 -6.366 11.893 161 HG22 VAL 20 1HG2 VAL 20 14.217 -7.734 11.231 162 HG23 VAL 20 2HG2 VAL 20 12.457 -7.691 11.115 163 H ASN 21 H ASN 21 12.176 -7.362 6.483 164 HA ASN 21 HA ASN 21 14.289 -6.012 4.966 165 HB2 ASN 21 1HB ASN 21 13.078 -6.877 2.962 166 HB3 ASN 21 2HB ASN 21 13.684 -8.135 4.029 167 HD21 ASN 21 2HD2 ASN 21 12.321 -9.742 3.715 168 HD22 ASN 21 1HD2 ASN 21 10.605 -9.653 3.909 169 H THR 22 H THR 22 13.584 -4.509 3.261 170 HA THR 22 HA THR 22 11.354 -2.848 4.231 171 HB THR 22 HB THR 22 13.713 -1.874 2.611 172 HG1 THR 22 HG1 THR 22 14.387 -2.737 4.669 173 HG21 THR 22 3HG2 THR 22 11.702 -0.444 4.356 174 HG22 THR 22 1HG2 THR 22 11.736 -0.436 2.593 175 HG23 THR 22 2HG2 THR 22 13.047 0.315 3.504 176 H MET 23 H MET 23 9.708 -3.587 2.975 177 HA MET 23 HA MET 23 10.137 -3.980 0.116 178 HB2 MET 23 1HB MET 23 7.717 -4.535 1.838 179 HB3 MET 23 2HB MET 23 7.868 -4.943 0.134 180 HG2 MET 23 1HG MET 23 9.770 -6.407 0.684 181 HG3 MET 23 2HG MET 23 9.519 -6.046 2.391 182 HE1 MET 23 3HE MET 23 6.784 -6.485 -0.368 183 HE2 MET 23 1HE MET 23 6.403 -8.199 -0.228 184 HE3 MET 23 2HE MET 23 7.981 -7.695 -0.831 185 H THR 24 H THR 24 8.794 -2.986 -1.468 186 HA THR 24 HA THR 24 7.805 -0.355 -0.577 187 HB THR 24 HB THR 24 8.913 -0.897 -3.321 188 HG1 THR 24 HG1 THR 24 10.371 0.027 -1.031 189 HG21 THR 24 3HG2 THR 24 9.331 1.518 -3.276 190 HG22 THR 24 1HG2 THR 24 8.672 1.602 -1.641 191 HG23 THR 24 2HG2 THR 24 7.628 1.159 -2.992 192 H ALA 25 H ALA 25 5.650 -0.245 -0.756 193 HA ALA 25 HA ALA 25 4.300 -1.719 -2.889 194 HB1 ALA 25 3HB ALA 25 3.146 -0.212 -0.546 195 HB2 ALA 25 1HB ALA 25 3.391 -1.956 -0.637 196 HB3 ALA 25 2HB ALA 25 2.232 -1.171 -1.710 197 H THR 26 H THR 26 3.380 -0.764 -4.589 198 HA THR 26 HA THR 26 3.840 2.090 -4.956 199 HB THR 26 HB THR 26 2.622 0.231 -6.994 200 HG1 THR 26 HG1 THR 26 5.247 0.325 -6.032 201 HG21 THR 26 3HG2 THR 26 2.579 2.625 -7.494 202 HG22 THR 26 1HG2 THR 26 3.683 1.778 -8.578 203 HG23 THR 26 2HG2 THR 26 4.320 2.720 -7.231 204 H ILE 27 H ILE 27 2.240 3.189 -3.849 205 HA ILE 27 HA ILE 27 -0.547 2.425 -4.380 206 HB ILE 27 HB ILE 27 0.379 4.642 -2.550 207 HG12 ILE 27 1HG1 ILE 27 1.436 2.603 -1.762 208 HG13 ILE 27 2HG1 ILE 27 0.115 3.031 -0.682 209 HG21 ILE 27 1HG2 ILE 27 -1.958 4.714 -3.209 210 HG22 ILE 27 2HG2 ILE 27 -1.800 4.324 -1.496 211 HG23 ILE 27 3HG2 ILE 27 -2.179 3.053 -2.661 212 HD11 ILE 27 3HD1 ILE 27 -1.288 1.336 -1.704 213 HD12 ILE 27 1HD1 ILE 27 0.218 0.634 -1.110 214 HD13 ILE 27 2HD1 ILE 27 0.005 0.932 -2.834 215 H GLU 28 H GLU 28 -1.401 3.305 -6.172 216 HA GLU 28 HA GLU 28 -0.528 6.028 -6.893 217 HB2 GLU 28 1HB GLU 28 0.325 4.306 -8.420 218 HB3 GLU 28 2HB GLU 28 -1.317 3.765 -8.729 219 HG2 GLU 28 1HG GLU 28 -1.845 5.674 -9.942 220 HG3 GLU 28 2HG GLU 28 -0.478 6.579 -9.293 221 H ASN 29 H ASN 29 -2.032 7.523 -7.205 222 HA ASN 29 HA ASN 29 -4.808 6.855 -6.645 223 HB2 ASN 29 1HB ASN 29 -3.699 8.792 -5.564 224 HB3 ASN 29 2HB ASN 29 -3.473 9.534 -7.139 225 HD21 ASN 29 2HD2 ASN 29 -4.767 10.691 -4.952 226 HD22 ASN 29 1HD2 ASN 29 -6.419 10.971 -5.387 227 H GLN 30 H GLN 30 -6.077 6.256 -8.305 228 HA GLN 30 HA GLN 30 -5.506 7.358 -10.967 229 HB2 GLN 30 1HB GLN 30 -7.120 4.962 -10.094 230 HB3 GLN 30 2HB GLN 30 -7.088 5.555 -11.750 231 HG2 GLN 30 1HG GLN 30 -4.707 4.581 -10.182 232 HG3 GLN 30 2HG GLN 30 -5.561 3.684 -11.437 233 HE21 GLN 30 2HE2 GLN 30 -2.770 4.479 -11.337 234 HE22 GLN 30 1HE2 GLN 30 -2.495 5.452 -12.738 235 H GLY 31 H GLY 31 -6.520 9.298 -9.583 236 HA2 GLY 31 1HA GLY 31 -9.287 9.507 -10.520 237 HA3 GLY 31 2HA GLY 31 -8.964 9.792 -8.814 238 H ASN 32 H ASN 32 -9.991 11.912 -9.535 239 HA ASN 32 HA ASN 32 -7.965 13.638 -10.793 240 HB2 ASN 32 1HB ASN 32 -9.801 15.064 -11.572 241 HB3 ASN 32 2HB ASN 32 -9.943 13.424 -12.186 242 HD21 ASN 32 2HD2 ASN 32 -11.973 15.370 -12.059 243 HD22 ASN 32 1HD2 ASN 32 -13.225 14.764 -11.025 244 H LYS 33 H LYS 33 -9.041 12.930 -7.853 245 HA LYS 33 HA LYS 33 -8.482 15.678 -6.970 246 HB2 LYS 33 1HB LYS 33 -10.787 15.052 -6.350 247 HB3 LYS 33 2HB LYS 33 -10.169 13.643 -5.495 248 HG2 LYS 33 1HG LYS 33 -8.897 15.146 -4.003 249 HG3 LYS 33 2HG LYS 33 -9.622 16.527 -4.822 250 HD2 LYS 33 1HD LYS 33 -11.830 15.837 -4.098 251 HD3 LYS 33 2HD LYS 33 -11.155 14.381 -3.356 252 HE2 LYS 33 1HE LYS 33 -9.819 15.796 -1.849 253 HE3 LYS 33 2HE LYS 33 -10.546 17.231 -2.568 254 HZ1 LYS 33 3HZ LYS 33 -11.621 16.633 -0.490 255 HZ2 LYS 33 1HZ LYS 33 -12.015 15.100 -1.102 256 HZ3 LYS 33 2HZ LYS 33 -12.706 16.489 -1.784 257 H ASP 34 H ASP 34 -6.814 15.944 -5.644 258 HA ASP 34 HA ASP 34 -5.007 13.756 -5.264 259 HB2 ASP 34 1HB ASP 34 -4.862 16.545 -4.087 260 HB3 ASP 34 2HB ASP 34 -3.535 15.399 -4.236 261 H SER 35 H SER 35 -4.702 12.530 -3.484 262 HA SER 35 HA SER 35 -6.620 12.899 -1.324 263 HB2 SER 35 1HB SER 35 -5.688 10.577 -0.654 264 HB3 SER 35 2HB SER 35 -6.703 10.697 -2.091 265 HG SER 35 HG SER 35 -3.881 10.861 -2.216 266 H THR 36 H THR 36 -6.106 13.246 0.752 267 HA THR 36 HA THR 36 -3.504 14.355 1.295 268 HB THR 36 HB THR 36 -4.682 14.682 3.614 269 HG1 THR 36 HG1 THR 36 -7.102 14.769 2.341 270 HG21 THR 36 3HG2 THR 36 -5.631 16.097 1.121 271 HG22 THR 36 1HG2 THR 36 -4.183 16.490 2.050 272 HG23 THR 36 2HG2 THR 36 -5.778 16.706 2.769 273 H SER 37 H SER 37 -3.210 13.794 4.011 274 HA SER 37 HA SER 37 -1.733 11.447 3.982 275 HB2 SER 37 1HB SER 37 -2.927 12.834 6.393 276 HB3 SER 37 2HB SER 37 -1.548 11.730 6.397 277 HG SER 37 HG SER 37 -0.800 13.438 4.686 278 H PHE 38 H PHE 38 -2.286 9.399 3.996 279 HA PHE 38 HA PHE 38 -4.751 8.583 5.366 280 HB2 PHE 38 1HB PHE 38 -5.317 7.056 3.530 281 HB3 PHE 38 2HB PHE 38 -5.266 8.722 2.967 282 HD1 PHE 38 HD1 PHE 38 -3.194 9.500 1.716 283 HD2 PHE 38 HD2 PHE 38 -4.021 5.405 2.524 284 HE1 PHE 38 HE1 PHE 38 -1.629 8.834 -0.060 285 HE2 PHE 38 HE2 PHE 38 -2.462 4.742 0.746 286 HZ PHE 38 HZ PHE 38 -1.256 6.442 -0.532 287 H ASN 39 H ASN 39 -4.767 6.342 6.021 288 HA ASN 39 HA ASN 39 -2.074 5.502 6.771 289 HB2 ASN 39 1HB ASN 39 -4.813 4.786 7.816 290 HB3 ASN 39 2HB ASN 39 -3.354 3.947 8.331 291 HD21 ASN 39 2HD2 ASN 39 -5.313 5.691 9.751 292 HD22 ASN 39 1HD2 ASN 39 -4.346 6.900 10.517 293 H VAL 40 H VAL 40 -1.105 4.064 5.497 294 HA VAL 40 HA VAL 40 -2.756 1.993 4.219 295 HB VAL 40 HB VAL 40 -0.267 3.380 3.390 296 HG11 VAL 40 1HG1 VAL 40 -0.695 0.456 2.768 297 HG12 VAL 40 2HG1 VAL 40 0.622 1.127 3.733 298 HG13 VAL 40 3HG1 VAL 40 0.504 1.507 2.014 299 HG21 VAL 40 3HG2 VAL 40 -2.460 1.978 1.882 300 HG22 VAL 40 1HG2 VAL 40 -1.223 3.032 1.197 301 HG23 VAL 40 2HG2 VAL 40 -2.431 3.689 2.305 302 H SER 41 H SER 41 -2.676 -0.015 4.922 303 HA SER 41 HA SER 41 -0.611 -0.689 6.918 304 HB2 SER 41 1HB SER 41 -3.368 -1.906 6.681 305 HB3 SER 41 2HB SER 41 -2.227 -2.085 8.014 306 HG SER 41 HG SER 41 -2.885 0.518 7.412 307 H LEU 42 H LEU 42 0.544 -2.548 6.666 308 HA LEU 42 HA LEU 42 -0.072 -4.167 4.292 309 HB2 LEU 42 1HB LEU 42 2.216 -3.266 4.400 310 HB3 LEU 42 2HB LEU 42 2.457 -4.069 5.941 311 HG LEU 42 HG LEU 42 2.150 -6.260 4.819 312 HD11 LEU 42 1HD1 LEU 42 2.219 -6.368 2.376 313 HD12 LEU 42 2HD1 LEU 42 2.114 -4.608 2.299 314 HD13 LEU 42 3HD1 LEU 42 0.771 -5.544 2.954 315 HD21 LEU 42 3HD2 LEU 42 4.302 -4.515 3.641 316 HD22 LEU 42 1HD2 LEU 42 4.294 -6.279 3.656 317 HD23 LEU 42 2HD2 LEU 42 4.386 -5.383 5.174 318 H LEU 43 H LEU 43 -1.162 -5.951 4.638 319 HA LEU 43 HA LEU 43 -1.012 -7.210 7.288 320 HB2 LEU 43 1HB LEU 43 -3.088 -7.545 5.119 321 HB3 LEU 43 2HB LEU 43 -3.121 -8.321 6.689 322 HG LEU 43 HG LEU 43 -3.083 -5.813 7.545 323 HD11 LEU 43 1HD1 LEU 43 -4.378 -4.347 6.102 324 HD12 LEU 43 2HD1 LEU 43 -4.359 -5.572 4.833 325 HD13 LEU 43 3HD1 LEU 43 -2.853 -4.810 5.347 326 HD21 LEU 43 3HD2 LEU 43 -5.546 -7.153 6.438 327 HD22 LEU 43 1HD2 LEU 43 -5.508 -5.906 7.685 328 HD23 LEU 43 2HD2 LEU 43 -4.808 -7.493 8.003 329 H VAL 44 H VAL 44 -0.291 -9.248 7.512 330 HA VAL 44 HA VAL 44 0.427 -10.729 5.080 331 HB VAL 44 HB VAL 44 1.283 -11.140 7.956 332 HG11 VAL 44 1HG1 VAL 44 2.002 -12.768 5.514 333 HG12 VAL 44 2HG1 VAL 44 0.991 -13.309 6.855 334 HG13 VAL 44 3HG1 VAL 44 2.700 -12.960 7.123 335 HG21 VAL 44 3HG2 VAL 44 2.392 -9.296 6.790 336 HG22 VAL 44 1HG2 VAL 44 2.837 -10.394 5.482 337 HG23 VAL 44 2HG2 VAL 44 3.510 -10.626 7.096 338 H ASP 45 H ASP 45 -1.333 -11.714 4.405 339 HA ASP 45 HA ASP 45 -3.050 -13.171 4.260 340 HB2 ASP 45 1HB ASP 45 -1.443 -14.650 5.610 341 HB3 ASP 45 2HB ASP 45 -2.416 -14.215 7.011 342 H GLY 46 H GLY 46 -3.113 -12.677 7.767 343 HA2 GLY 46 1HA GLY 46 -5.530 -11.031 7.427 344 HA3 GLY 46 2HA GLY 46 -5.567 -12.414 8.508 345 H ILE 47 H ILE 47 -2.527 -11.386 8.868 346 HA ILE 47 HA ILE 47 -3.251 -9.796 11.235 347 HB ILE 47 HB ILE 47 -0.492 -10.817 10.665 348 HG12 ILE 47 1HG1 ILE 47 -2.644 -12.393 12.095 349 HG13 ILE 47 2HG1 ILE 47 -2.111 -12.724 10.449 350 HG21 ILE 47 1HG2 ILE 47 -1.988 -10.273 13.221 351 HG22 ILE 47 2HG2 ILE 47 -0.766 -9.235 12.484 352 HG23 ILE 47 3HG2 ILE 47 -0.315 -10.822 13.105 353 HD11 ILE 47 3HD1 ILE 47 -0.414 -12.886 12.930 354 HD12 ILE 47 1HD1 ILE 47 0.139 -13.195 11.285 355 HD13 ILE 47 2HD1 ILE 47 -1.073 -14.244 12.019 356 H VAL 48 H VAL 48 -2.190 -7.826 11.664 357 HA VAL 48 HA VAL 48 -1.177 -6.489 9.254 358 HB VAL 48 HB VAL 48 -2.013 -5.246 11.885 359 HG11 VAL 48 1HG1 VAL 48 -2.002 -3.142 10.628 360 HG12 VAL 48 2HG1 VAL 48 -1.399 -3.998 9.210 361 HG13 VAL 48 3HG1 VAL 48 -0.406 -3.890 10.664 362 HG21 VAL 48 3HG2 VAL 48 -3.921 -6.272 10.783 363 HG22 VAL 48 1HG2 VAL 48 -3.520 -5.440 9.280 364 HG23 VAL 48 2HG2 VAL 48 -4.029 -4.514 10.693 365 H VAL 49 H VAL 49 0.956 -6.187 9.042 366 HA VAL 49 HA VAL 49 2.606 -6.565 11.444 367 HB VAL 49 HB VAL 49 4.482 -7.047 9.908 368 HG11 VAL 49 1HG1 VAL 49 2.024 -8.742 9.489 369 HG12 VAL 49 2HG1 VAL 49 3.158 -8.861 10.833 370 HG13 VAL 49 3HG1 VAL 49 3.687 -9.253 9.197 371 HG21 VAL 49 3HG2 VAL 49 4.026 -7.474 7.533 372 HG22 VAL 49 1HG2 VAL 49 3.745 -5.785 7.958 373 HG23 VAL 49 2HG2 VAL 49 2.379 -6.881 7.748 374 H ASP 50 H ASP 50 1.847 -4.288 8.927 375 HA ASP 50 HA ASP 50 3.541 -2.309 10.251 376 HB2 ASP 50 1HB ASP 50 4.708 -3.472 8.213 377 HB3 ASP 50 2HB ASP 50 3.623 -2.475 7.251 378 H THR 51 H THR 51 2.863 -0.164 9.898 379 HA THR 51 HA THR 51 0.562 0.339 8.203 380 HB THR 51 HB THR 51 0.423 1.020 11.150 381 HG1 THR 51 HG1 THR 51 -0.155 -1.298 9.863 382 HG21 THR 51 3HG2 THR 51 -1.909 1.586 10.637 383 HG22 THR 51 1HG2 THR 51 -1.634 1.187 8.939 384 HG23 THR 51 2HG2 THR 51 -0.792 2.551 9.673 385 H GLN 52 H GLN 52 1.280 2.042 7.070 386 HA GLN 52 HA GLN 52 2.857 4.076 8.509 387 HB2 GLN 52 1HB GLN 52 3.981 2.723 6.633 388 HB3 GLN 52 2HB GLN 52 2.951 3.630 5.533 389 HG2 GLN 52 1HG GLN 52 3.995 5.644 6.987 390 HG3 GLN 52 2HG GLN 52 5.316 4.479 7.057 391 HE21 GLN 52 2HE2 GLN 52 3.443 6.569 5.037 392 HE22 GLN 52 1HE2 GLN 52 4.459 6.472 3.639 393 H THR 53 H THR 53 2.209 6.150 8.424 394 HA THR 53 HA THR 53 -0.268 6.772 7.046 395 HB THR 53 HB THR 53 1.491 8.606 8.692 396 HG1 THR 53 HG1 THR 53 -0.814 7.096 9.476 397 HG21 THR 53 3HG2 THR 53 -0.088 9.778 7.229 398 HG22 THR 53 1HG2 THR 53 -0.550 9.949 8.924 399 HG23 THR 53 2HG2 THR 53 -1.414 8.817 7.884 400 H VAL 54 H VAL 54 -0.078 7.122 4.925 401 HA VAL 54 HA VAL 54 2.331 8.187 3.760 402 HB VAL 54 HB VAL 54 -0.356 7.752 2.437 403 HG11 VAL 54 1HG1 VAL 54 0.954 7.628 0.369 404 HG12 VAL 54 2HG1 VAL 54 2.420 7.987 1.282 405 HG13 VAL 54 3HG1 VAL 54 1.136 9.191 1.166 406 HG21 VAL 54 3HG2 VAL 54 1.981 5.858 2.664 407 HG22 VAL 54 1HG2 VAL 54 0.535 5.594 1.689 408 HG23 VAL 54 2HG2 VAL 54 0.410 5.676 3.446 409 H THR 55 H THR 55 2.736 10.266 3.294 410 HA THR 55 HA THR 55 1.286 12.204 4.715 411 HB THR 55 HB THR 55 3.311 12.767 2.548 412 HG1 THR 55 HG1 THR 55 3.936 12.395 5.291 413 HG21 THR 55 3HG2 THR 55 2.134 14.719 3.467 414 HG22 THR 55 1HG2 THR 55 3.832 14.711 3.947 415 HG23 THR 55 2HG2 THR 55 2.589 14.223 5.098 416 H SER 56 H SER 56 1.393 11.430 1.258 417 HA SER 56 HA SER 56 -1.224 12.426 0.832 418 HB2 SER 56 1HB SER 56 -0.675 14.292 -0.697 419 HB3 SER 56 2HB SER 56 -0.124 14.613 0.947 420 HG SER 56 HG SER 56 1.909 14.494 0.315 421 H LEU 57 H LEU 57 -1.894 12.210 -1.424 422 HA LEU 57 HA LEU 57 -0.014 10.838 -3.179 423 HB2 LEU 57 1HB LEU 57 -1.240 9.073 -1.947 424 HB3 LEU 57 2HB LEU 57 -2.751 9.728 -2.550 425 HG LEU 57 HG LEU 57 -2.101 9.180 -4.840 426 HD11 LEU 57 1HD1 LEU 57 0.384 8.034 -3.588 427 HD12 LEU 57 2HD1 LEU 57 0.302 9.466 -4.616 428 HD13 LEU 57 3HD1 LEU 57 -0.087 7.878 -5.281 429 HD21 LEU 57 3HD2 LEU 57 -3.308 7.511 -3.542 430 HD22 LEU 57 1HD2 LEU 57 -1.785 6.872 -2.927 431 HD23 LEU 57 2HD2 LEU 57 -2.167 6.738 -4.644 432 H GLU 58 H GLU 58 -0.026 11.902 -4.999 433 HA GLU 58 HA GLU 58 -2.044 13.890 -5.496 434 HB2 GLU 58 1HB GLU 58 0.395 13.137 -7.111 435 HB3 GLU 58 2HB GLU 58 -0.554 14.609 -7.289 436 HG2 GLU 58 1HG GLU 58 0.157 15.452 -5.221 437 HG3 GLU 58 2HG GLU 58 0.771 13.883 -4.702 438 H SER 59 H SER 59 -3.102 14.204 -7.514 439 HA SER 59 HA SER 59 -4.572 11.996 -8.392 440 HB2 SER 59 1HB SER 59 -4.138 14.598 -9.872 441 HB3 SER 59 2HB SER 59 -5.502 13.494 -10.056 442 HG SER 59 HG SER 59 -4.839 15.141 -7.854 443 H GLU 60 H GLU 60 -4.020 10.379 -9.621 444 HA GLU 60 HA GLU 60 -3.076 9.063 -11.164 445 HB2 GLU 60 1HB GLU 60 -2.870 11.679 -12.645 446 HB3 GLU 60 2HB GLU 60 -2.441 10.128 -13.362 447 HG2 GLU 60 1HG GLU 60 -4.735 9.326 -12.853 448 HG3 GLU 60 2HG GLU 60 -5.138 10.953 -12.310 449 H ASN 61 H ASN 61 -1.432 10.282 -9.056 450 HA ASN 61 HA ASN 61 1.141 9.567 -10.298 451 HB2 ASN 61 1HB ASN 61 1.019 11.993 -9.580 452 HB3 ASN 61 2HB ASN 61 0.847 11.420 -7.923 453 HD21 ASN 61 2HD2 ASN 61 2.806 12.484 -7.364 454 HD22 ASN 61 1HD2 ASN 61 4.341 11.814 -7.813 455 H SER 62 H SER 62 2.647 8.520 -8.749 456 HA SER 62 HA SER 62 1.098 6.828 -6.904 457 HB2 SER 62 1HB SER 62 2.901 5.124 -7.332 458 HB3 SER 62 2HB SER 62 1.913 5.515 -8.740 459 HG SER 62 HG SER 62 3.559 6.760 -9.553 460 H THR 63 H THR 63 2.280 5.978 -5.057 461 HA THR 63 HA THR 63 4.680 7.496 -4.312 462 HB THR 63 HB THR 63 2.317 6.908 -2.514 463 HG1 THR 63 HG1 THR 63 2.806 8.931 -4.088 464 HG21 THR 63 3HG2 THR 63 4.979 8.168 -1.829 465 HG22 THR 63 1HG2 THR 63 4.412 6.586 -1.293 466 HG23 THR 63 2HG2 THR 63 3.588 8.048 -0.750 467 H ASN 64 H ASN 64 6.299 6.194 -3.875 468 HA ASN 64 HA ASN 64 5.908 3.357 -3.569 469 HB2 ASN 64 1HB ASN 64 8.325 5.147 -3.690 470 HB3 ASN 64 2HB ASN 64 8.473 3.447 -3.262 471 HD21 ASN 64 2HD2 ASN 64 7.642 5.710 -5.791 472 HD22 ASN 64 1HD2 ASN 64 7.754 4.574 -7.094 473 H VAL 65 H VAL 65 5.193 2.629 -1.677 474 HA VAL 65 HA VAL 65 5.945 4.013 0.795 475 HB VAL 65 HB VAL 65 3.979 1.744 0.590 476 HG11 VAL 65 1HG1 VAL 65 2.977 2.817 2.545 477 HG12 VAL 65 2HG1 VAL 65 4.217 4.069 2.492 478 HG13 VAL 65 3HG1 VAL 65 4.667 2.396 2.822 479 HG21 VAL 65 3HG2 VAL 65 2.197 3.447 0.328 480 HG22 VAL 65 1HG2 VAL 65 3.254 3.296 -1.078 481 HG23 VAL 65 2HG2 VAL 65 3.448 4.654 0.033 482 H ASP 66 H ASP 66 7.638 3.253 1.891 483 HA ASP 66 HA ASP 66 8.437 0.462 1.528 484 HB2 ASP 66 1HB ASP 66 9.874 2.877 2.614 485 HB3 ASP 66 2HB ASP 66 10.499 1.247 2.841 486 H PHE 67 H PHE 67 7.838 -0.991 2.933 487 HA PHE 67 HA PHE 67 7.112 -0.185 5.669 488 HB2 PHE 67 1HB PHE 67 6.589 -2.803 4.236 489 HB3 PHE 67 2HB PHE 67 5.980 -2.350 5.823 490 HD1 PHE 67 HD1 PHE 67 4.280 -0.556 6.017 491 HD2 PHE 67 HD2 PHE 67 5.514 -2.127 2.261 492 HE1 PHE 67 HE1 PHE 67 2.256 0.370 4.970 493 HE2 PHE 67 HE2 PHE 67 3.497 -1.204 1.207 494 HZ PHE 67 HZ PHE 67 1.866 0.046 2.559 495 H HIS 68 H HIS 68 7.599 -2.022 7.315 496 HA HIS 68 HA HIS 68 10.235 -3.222 6.752 497 HB2 HIS 68 1HB HIS 68 9.390 -1.993 9.391 498 HB3 HIS 68 2HB HIS 68 10.937 -2.763 9.052 499 HD1 HIS 68 HD1 HIS 68 12.599 -1.449 7.483 500 HD2 HIS 68 HD2 HIS 68 9.162 0.637 8.575 501 HE1 HIS 68 HE1 HIS 68 13.033 0.956 6.872 502 HE2 HIS 68 HE2 HIS 68 10.942 2.206 7.539 503 H TRP 69 H TRP 69 9.956 -5.349 6.717 504 HA TRP 69 HA TRP 69 7.899 -6.495 8.485 505 HB2 TRP 69 1HB TRP 69 7.024 -6.545 6.268 506 HB3 TRP 69 2HB TRP 69 8.542 -7.133 5.606 507 HD1 TRP 69 HD1 TRP 69 6.888 -8.767 8.671 508 HE1 TRP 69 HE1 TRP 69 6.238 -11.182 8.040 509 HE3 TRP 69 HE3 TRP 69 7.911 -8.590 3.663 510 HZ2 TRP 69 HZ2 TRP 69 6.178 -12.784 5.713 511 HZ3 TRP 69 HZ3 TRP 69 7.513 -10.600 2.311 512 HH2 TRP 69 HH2 TRP 69 6.657 -12.650 3.313 513 H THR 70 H THR 70 8.633 -7.876 9.898 514 HA THR 70 HA THR 70 11.290 -9.006 9.681 515 HB THR 70 HB THR 70 9.253 -9.490 11.861 516 HG1 THR 70 HG1 THR 70 11.267 -7.489 11.942 517 HG21 THR 70 3HG2 THR 70 12.276 -9.594 11.831 518 HG22 THR 70 1HG2 THR 70 11.189 -10.984 11.868 519 HG23 THR 70 2HG2 THR 70 11.252 -9.877 13.240 520 H LEU 71 H LEU 71 11.564 -10.850 8.553 521 HA LEU 71 HA LEU 71 9.360 -12.618 8.040 522 HB2 LEU 71 1HB LEU 71 12.072 -12.283 7.062 523 HB3 LEU 71 2HB LEU 71 11.657 -13.971 7.296 524 HG LEU 71 HG LEU 71 11.169 -13.375 5.028 525 HD11 LEU 71 1HD1 LEU 71 9.615 -14.906 6.074 526 HD12 LEU 71 2HD1 LEU 71 8.794 -13.880 4.898 527 HD13 LEU 71 3HD1 LEU 71 8.629 -13.549 6.622 528 HD21 LEU 71 3HD2 LEU 71 11.002 -10.961 5.360 529 HD22 LEU 71 1HD2 LEU 71 9.434 -11.185 6.135 530 HD23 LEU 71 2HD2 LEU 71 9.644 -11.599 4.433 531 H ASP 72 H ASP 72 8.674 -14.150 9.295 532 HA ASP 72 HA ASP 72 10.346 -15.301 11.372 533 HB2 ASP 72 1HB ASP 72 8.295 -16.542 11.988 534 HB3 ASP 72 2HB ASP 72 7.992 -14.810 11.877 535 H GLY 73 H GLY 73 8.892 -16.146 8.289 536 HA2 GLY 73 1HA GLY 73 9.848 -17.520 6.680 537 HA3 GLY 73 2HA GLY 73 11.020 -18.057 7.870 538 H THR 74 H THR 74 7.696 -18.235 8.782 539 HA THR 74 HA THR 74 7.860 -21.062 9.070 540 HB THR 74 HB THR 74 5.384 -19.329 9.230 541 HG1 THR 74 HG1 THR 74 6.497 -18.514 10.863 542 HG21 THR 74 3HG2 THR 74 6.014 -22.033 10.424 543 HG22 THR 74 1HG2 THR 74 4.904 -21.727 9.088 544 HG23 THR 74 2HG2 THR 74 4.539 -21.106 10.698 545 H ALA 75 H ALA 75 6.232 -18.906 6.798 546 HA ALA 75 HA ALA 75 5.664 -21.239 5.094 547 HB1 ALA 75 3HB ALA 75 3.986 -19.858 3.979 548 HB2 ALA 75 1HB ALA 75 4.398 -18.498 5.026 549 HB3 ALA 75 2HB ALA 75 3.673 -19.952 5.712 550 H ASN 76 H ASN 76 6.023 -20.973 2.794 551 HA ASN 76 HA ASN 76 8.374 -19.299 2.267 552 HB2 ASN 76 1HB ASN 76 7.183 -21.625 0.740 553 HB3 ASN 76 2HB ASN 76 8.536 -20.667 0.154 554 HD21 ASN 76 2HD2 ASN 76 9.961 -22.355 0.142 555 HD22 ASN 76 1HD2 ASN 76 10.561 -23.098 1.584 556 H SER 77 H SER 77 5.086 -19.279 1.915 557 HA SER 77 HA SER 77 5.237 -17.182 -0.126 558 HB2 SER 77 1HB SER 77 3.174 -18.079 -1.187 559 HB3 SER 77 2HB SER 77 4.534 -19.193 -1.316 560 HG SER 77 HG SER 77 2.782 -19.423 0.869 561 H TYR 78 H TYR 78 4.591 -15.427 0.925 562 HA TYR 78 HA TYR 78 2.423 -15.707 2.885 563 HB2 TYR 78 1HB TYR 78 4.665 -13.718 2.649 564 HB3 TYR 78 2HB TYR 78 3.237 -13.385 3.625 565 HD1 TYR 78 HD1 TYR 78 2.590 -15.380 5.265 566 HD2 TYR 78 HD2 TYR 78 6.478 -14.651 3.714 567 HE1 TYR 78 HE1 TYR 78 3.563 -16.614 7.150 568 HE2 TYR 78 HE2 TYR 78 7.465 -15.887 5.591 569 HH TYR 78 HH TYR 78 6.446 -16.377 8.203 570 H THR 79 H THR 79 0.618 -14.557 2.744 571 HA THR 79 HA THR 79 0.079 -13.287 0.184 572 HB THR 79 HB THR 79 -1.881 -13.782 2.429 573 HG1 THR 79 HG1 THR 79 -0.993 -15.787 1.927 574 HG21 THR 79 3HG2 THR 79 -2.643 -12.287 0.647 575 HG22 THR 79 1HG2 THR 79 -3.524 -13.814 0.605 576 HG23 THR 79 2HG2 THR 79 -2.236 -13.506 -0.560 577 H LEU 80 H LEU 80 1.296 -11.368 0.534 578 HA LEU 80 HA LEU 80 0.664 -9.705 2.797 579 HB2 LEU 80 1HB LEU 80 2.638 -9.645 0.611 580 HB3 LEU 80 2HB LEU 80 2.117 -8.079 1.210 581 HG LEU 80 HG LEU 80 2.794 -8.717 3.484 582 HD11 LEU 80 1HD1 LEU 80 4.105 -10.752 3.858 583 HD12 LEU 80 2HD1 LEU 80 3.783 -11.256 2.200 584 HD13 LEU 80 3HD1 LEU 80 2.456 -11.119 3.352 585 HD21 LEU 80 3HD2 LEU 80 4.947 -9.093 1.413 586 HD22 LEU 80 1HD2 LEU 80 5.209 -8.695 3.111 587 HD23 LEU 80 2HD2 LEU 80 4.374 -7.554 2.055 588 H THR 81 H THR 81 -0.874 -8.318 2.913 589 HA THR 81 HA THR 81 -2.273 -7.561 0.432 590 HB THR 81 HB THR 81 -3.538 -7.931 3.153 591 HG1 THR 81 HG1 THR 81 -2.595 -9.854 1.817 592 HG21 THR 81 3HG2 THR 81 -4.727 -7.712 0.387 593 HG22 THR 81 1HG2 THR 81 -4.753 -6.453 1.623 594 HG23 THR 81 2HG2 THR 81 -5.629 -7.963 1.882 595 H VAL 82 H VAL 82 -2.027 -5.462 0.040 596 HA VAL 82 HA VAL 82 -1.453 -3.625 2.217 597 HB VAL 82 HB VAL 82 -1.689 -3.107 -0.757 598 HG11 VAL 82 1HG1 VAL 82 -0.630 -0.952 -0.274 599 HG12 VAL 82 2HG1 VAL 82 -0.695 -1.309 1.452 600 HG13 VAL 82 3HG1 VAL 82 -2.189 -1.105 0.537 601 HG21 VAL 82 3HG2 VAL 82 0.758 -2.933 -0.697 602 HG22 VAL 82 1HG2 VAL 82 0.204 -4.537 -0.216 603 HG23 VAL 82 2HG2 VAL 82 0.742 -3.385 1.007 604 H ASN 83 H ASN 83 -3.140 -2.946 3.380 605 HA ASN 83 HA ASN 83 -5.684 -2.401 2.027 606 HB2 ASN 83 1HB ASN 83 -5.974 -3.667 4.039 607 HB3 ASN 83 2HB ASN 83 -4.936 -2.577 4.950 608 HD21 ASN 83 2HD2 ASN 83 -8.073 -2.973 3.454 609 HD22 ASN 83 1HD2 ASN 83 -8.846 -1.663 4.285 610 H VAL 84 H VAL 84 -6.032 -0.441 1.293 611 HA VAL 84 HA VAL 84 -4.422 1.766 2.300 612 HB VAL 84 HB VAL 84 -6.311 1.708 -0.055 613 HG11 VAL 84 1HG1 VAL 84 -5.982 3.947 0.808 614 HG12 VAL 84 2HG1 VAL 84 -5.122 3.762 -0.719 615 HG13 VAL 84 3HG1 VAL 84 -4.234 3.717 0.803 616 HG21 VAL 84 3HG2 VAL 84 -3.304 1.448 0.034 617 HG22 VAL 84 1HG2 VAL 84 -4.281 1.578 -1.429 618 HG23 VAL 84 2HG2 VAL 84 -4.444 0.168 -0.382 619 H ASP 85 H ASP 85 -5.204 2.697 4.027 620 HA ASP 85 HA ASP 85 -6.479 3.943 5.390 621 HB2 ASP 85 1HB ASP 85 -6.973 5.238 3.305 622 HB3 ASP 85 2HB ASP 85 -8.422 4.259 3.100 623 HA PRO 86 HA PRO 86 -9.259 0.581 6.560 624 HB2 PRO 86 1HB PRO 86 -8.268 0.732 9.208 625 HB3 PRO 86 2HB PRO 86 -7.843 -0.463 7.983 626 HG2 PRO 86 1HG PRO 86 -6.138 1.480 9.058 627 HG3 PRO 86 2HG PRO 86 -5.839 0.519 7.603 628 HD2 PRO 86 1HD PRO 86 -6.808 3.319 7.861 629 HD3 PRO 86 2HD PRO 86 -5.808 2.579 6.593 630 H GLU 87 H GLU 87 -9.091 3.821 7.196 631 HA GLU 87 HA GLU 87 -11.299 3.739 9.147 632 HB2 GLU 87 1HB GLU 87 -9.504 6.073 8.451 633 HB3 GLU 87 2HB GLU 87 -10.692 6.011 9.747 634 HG2 GLU 87 1HG GLU 87 -9.387 4.253 10.846 635 HG3 GLU 87 2HG GLU 87 -8.188 4.351 9.557 636 H ASN 88 H ASN 88 -10.461 4.344 5.946 637 HA ASN 88 HA ASN 88 -11.518 5.154 4.119 638 HB2 ASN 88 1HB ASN 88 -13.302 3.561 5.030 639 HB3 ASN 88 2HB ASN 88 -14.104 4.992 5.669 640 HD21 ASN 88 2HD2 ASN 88 -12.339 4.961 2.641 641 HD22 ASN 88 1HD2 ASN 88 -13.716 5.148 1.610 642 H ALA 89 H ALA 89 -10.346 6.990 5.724 643 HA ALA 89 HA ALA 89 -12.137 9.199 6.256 644 HB1 ALA 89 3HB ALA 89 -10.197 8.802 7.697 645 HB2 ALA 89 1HB ALA 89 -10.108 10.389 6.931 646 HB3 ALA 89 2HB ALA 89 -9.121 9.060 6.324 647 H VAL 90 H VAL 90 -9.933 8.139 3.772 648 HA VAL 90 HA VAL 90 -10.450 10.582 2.222 649 HB VAL 90 HB VAL 90 -8.575 8.286 1.607 650 HG11 VAL 90 1HG1 VAL 90 -7.646 9.790 -0.096 651 HG12 VAL 90 2HG1 VAL 90 -8.895 10.976 0.282 652 HG13 VAL 90 3HG1 VAL 90 -9.342 9.416 -0.406 653 HG21 VAL 90 3HG2 VAL 90 -7.827 9.516 3.566 654 HG22 VAL 90 1HG2 VAL 90 -7.988 11.039 2.692 655 HG23 VAL 90 2HG2 VAL 90 -6.777 9.860 2.190 656 H ASN 91 H ASN 91 -11.878 10.569 0.589 657 HA ASN 91 HA ASN 91 -13.475 8.248 0.117 658 HB2 ASN 91 1HB ASN 91 -13.410 10.941 -1.260 659 HB3 ASN 91 2HB ASN 91 -14.579 9.677 -1.627 660 HD21 ASN 91 2HD2 ASN 91 -14.775 8.803 1.142 661 HD22 ASN 91 1HD2 ASN 91 -15.695 10.012 1.973 662 H GLU 92 H GLU 92 -13.348 6.780 -1.455 663 HA GLU 92 HA GLU 92 -11.415 7.230 -3.616 664 HB2 GLU 92 1HB GLU 92 -11.203 4.579 -3.363 665 HB3 GLU 92 2HB GLU 92 -10.147 5.709 -2.535 666 HG2 GLU 92 1HG GLU 92 -10.946 3.890 -1.087 667 HG3 GLU 92 2HG GLU 92 -11.403 5.486 -0.503 668 H GLY 93 H GLY 93 -11.704 5.819 -5.474 669 HA2 GLY 93 1HA GLY 93 -14.280 5.708 -6.528 670 HA3 GLY 93 2HA GLY 93 -12.901 4.806 -7.132 671 H ASN 94 H ASN 94 -12.750 2.671 -6.742 672 HA ASN 94 HA ASN 94 -15.116 1.387 -5.635 673 HB2 ASN 94 1HB ASN 94 -14.251 0.646 -7.821 674 HB3 ASN 94 2HB ASN 94 -12.723 0.207 -7.065 675 HD21 ASN 94 2HD2 ASN 94 -16.074 -0.605 -7.446 676 HD22 ASN 94 1HD2 ASN 94 -15.966 -2.208 -6.786 677 H GLU 95 H GLU 95 -15.188 0.460 -3.694 678 HA GLU 95 HA GLU 95 -12.993 0.882 -1.905 679 HB2 GLU 95 1HB GLU 95 -15.434 1.175 -1.356 680 HB3 GLU 95 2HB GLU 95 -15.572 -0.577 -1.342 681 HG2 GLU 95 1HG GLU 95 -13.924 -0.687 0.464 682 HG3 GLU 95 2HG GLU 95 -13.813 1.073 0.457 683 H SER 96 H SER 96 -13.910 -1.753 -3.882 684 HA SER 96 HA SER 96 -12.425 -3.660 -2.237 685 HB2 SER 96 1HB SER 96 -13.698 -4.060 -4.960 686 HB3 SER 96 2HB SER 96 -13.063 -5.325 -3.906 687 HG SER 96 HG SER 96 -14.878 -3.729 -2.643 688 H ASN 97 H ASN 97 -11.768 -1.275 -4.390 689 HA ASN 97 HA ASN 97 -9.615 -2.587 -5.822 690 HB2 ASN 97 1HB ASN 97 -10.693 -1.073 -7.207 691 HB3 ASN 97 2HB ASN 97 -10.934 0.097 -5.917 692 HD21 ASN 97 2HD2 ASN 97 -9.410 1.617 -5.521 693 HD22 ASN 97 1HD2 ASN 97 -8.015 1.853 -6.505 694 H ASN 98 H ASN 98 -10.038 -0.786 -2.932 695 HA ASN 98 HA ASN 98 -7.426 0.387 -2.829 696 HB2 ASN 98 1HB ASN 98 -8.015 1.196 -0.690 697 HB3 ASN 98 2HB ASN 98 -9.525 1.194 -1.594 698 HD21 ASN 98 2HD2 ASN 98 -9.007 1.073 1.301 699 HD22 ASN 98 1HD2 ASN 98 -9.816 -0.355 1.856 700 H THR 99 H THR 99 -8.389 -2.749 -2.582 701 HA THR 99 HA THR 99 -6.387 -3.466 -0.565 702 HB THR 99 HB THR 99 -8.185 -5.460 -1.885 703 HG1 THR 99 HG1 THR 99 -9.065 -3.294 -0.540 704 HG21 THR 99 3HG2 THR 99 -7.092 -5.178 0.913 705 HG22 THR 99 1HG2 THR 99 -6.465 -6.243 -0.343 706 HG23 THR 99 2HG2 THR 99 -8.073 -6.520 0.325 707 H LEU 100 H LEU 100 -4.762 -4.973 -1.062 708 HA LEU 100 HA LEU 100 -4.383 -5.642 -3.892 709 HB2 LEU 100 1HB LEU 100 -3.049 -3.683 -3.600 710 HB3 LEU 100 2HB LEU 100 -2.381 -4.282 -2.097 711 HG LEU 100 HG LEU 100 -1.229 -6.084 -3.396 712 HD11 LEU 100 1HD1 LEU 100 -1.018 -5.819 -5.813 713 HD12 LEU 100 2HD1 LEU 100 -2.170 -4.485 -5.771 714 HD13 LEU 100 3HD1 LEU 100 -2.693 -6.114 -5.344 715 HD21 LEU 100 3HD2 LEU 100 -0.599 -3.245 -4.188 716 HD22 LEU 100 1HD2 LEU 100 0.506 -4.616 -4.293 717 HD23 LEU 100 2HD2 LEU 100 -0.060 -4.058 -2.719 718 H THR 101 H THR 101 -4.384 -7.779 -3.914 719 HA THR 101 HA THR 101 -3.274 -9.270 -1.674 720 HB THR 101 HB THR 101 -4.447 -10.424 -4.207 721 HG1 THR 101 HG1 THR 101 -6.032 -9.069 -3.392 722 HG21 THR 101 3HG2 THR 101 -4.270 -11.470 -1.375 723 HG22 THR 101 1HG2 THR 101 -3.264 -11.986 -2.728 724 HG23 THR 101 2HG2 THR 101 -4.997 -12.314 -2.743 725 H ALA 102 H ALA 102 -1.057 -8.895 -1.861 726 HA ALA 102 HA ALA 102 0.205 -9.666 -4.397 727 HB1 ALA 102 3HB ALA 102 0.737 -7.426 -3.559 728 HB2 ALA 102 1HB ALA 102 2.165 -8.457 -3.616 729 HB3 ALA 102 2HB ALA 102 1.371 -8.135 -2.074 730 H LEU 103 H LEU 103 0.816 -11.709 -4.467 731 HA LEU 103 HA LEU 103 1.466 -13.145 -2.043 732 HB2 LEU 103 1HB LEU 103 1.329 -13.958 -4.934 733 HB3 LEU 103 2HB LEU 103 1.893 -15.040 -3.674 734 HG LEU 103 HG LEU 103 -0.851 -13.793 -3.818 735 HD11 LEU 103 1HD1 LEU 103 -1.588 -16.094 -4.234 736 HD12 LEU 103 2HD1 LEU 103 0.099 -16.613 -4.273 737 HD13 LEU 103 3HD1 LEU 103 -0.512 -15.506 -5.502 738 HD21 LEU 103 3HD2 LEU 103 -0.122 -14.105 -1.517 739 HD22 LEU 103 1HD2 LEU 103 0.320 -15.776 -1.869 740 HD23 LEU 103 2HD2 LEU 103 -1.371 -15.278 -1.938 741 H VAL 104 H VAL 104 3.374 -13.130 -1.195 742 HA VAL 104 HA VAL 104 5.693 -12.653 -2.943 743 HB VAL 104 HB VAL 104 6.814 -11.462 -1.163 744 HG11 VAL 104 1HG1 VAL 104 4.015 -10.425 -1.583 745 HG12 VAL 104 2HG1 VAL 104 5.413 -10.130 -2.619 746 HG13 VAL 104 3HG1 VAL 104 5.374 -9.480 -0.979 747 HG21 VAL 104 3HG2 VAL 104 5.964 -12.598 0.784 748 HG22 VAL 104 1HG2 VAL 104 4.342 -11.976 0.480 749 HG23 VAL 104 2HG2 VAL 104 5.640 -10.868 0.927 750 H GLY 105 H GLY 105 7.431 -13.978 -2.732 751 HA2 GLY 105 1HA GLY 105 7.049 -16.233 -0.858 752 HA3 GLY 105 2HA GLY 105 7.822 -16.372 -2.431 753 H THR 106 H THR 106 9.189 -17.387 -0.380 754 HA THR 106 HA THR 106 11.002 -15.442 0.691 755 HB THR 106 HB THR 106 12.321 -17.476 1.390 756 HG1 THR 106 HG1 THR 106 11.618 -19.048 -0.039 757 HG21 THR 106 3HG2 THR 106 10.769 -16.354 2.897 758 HG22 THR 106 1HG2 THR 106 10.711 -18.099 3.144 759 HG23 THR 106 2HG2 THR 106 9.430 -17.294 2.239 760 H LEU 107 H LEU 107 13.040 -14.969 0.053 761 HA LEU 107 HA LEU 107 13.445 -14.933 -2.721 762 HB2 LEU 107 1HB LEU 107 14.237 -13.216 -1.116 763 HB3 LEU 107 2HB LEU 107 15.460 -14.347 -0.566 764 HG LEU 107 HG LEU 107 16.476 -14.350 -2.796 765 HD11 LEU 107 1HD1 LEU 107 14.378 -12.288 -3.458 766 HD12 LEU 107 2HD1 LEU 107 14.468 -13.923 -4.112 767 HD13 LEU 107 3HD1 LEU 107 15.733 -12.754 -4.486 768 HD21 LEU 107 3HD2 LEU 107 17.258 -12.759 -1.132 769 HD22 LEU 107 1HD2 LEU 107 16.041 -11.596 -1.652 770 HD23 LEU 107 2HD2 LEU 107 17.339 -12.063 -2.751 771 H GLU 108 H GLU 108 13.812 -16.692 -3.824 772 HA GLU 108 HA GLU 108 16.154 -18.310 -3.084 773 HB2 GLU 108 1HB GLU 108 14.051 -19.608 -2.965 774 HB3 GLU 108 2HB GLU 108 13.702 -19.183 -4.635 775 HG2 GLU 108 1HG GLU 108 15.846 -20.329 -5.263 776 HG3 GLU 108 2HG GLU 108 15.923 -20.920 -3.604 777 H HIS 109 H HIS 109 17.582 -17.011 -4.236 778 HA HIS 109 HA HIS 109 17.135 -16.157 -6.899 779 HB2 HIS 109 1HB HIS 109 19.588 -16.376 -5.185 780 HB3 HIS 109 2HB HIS 109 19.733 -15.979 -6.892 781 HD1 HIS 109 HD1 HIS 109 18.452 -13.754 -7.662 782 HD2 HIS 109 HD2 HIS 109 18.973 -14.269 -3.567 783 HE1 HIS 109 HE1 HIS 109 18.087 -11.481 -6.637 784 HE2 HIS 109 HE2 HIS 109 18.638 -11.778 -4.193 785 H HIS 110 H HIS 110 16.723 -17.571 -8.454 786 HA HIS 110 HA HIS 110 17.966 -20.153 -8.567 787 HB2 HIS 110 1HB HIS 110 15.679 -19.224 -9.625 788 HB3 HIS 110 2HB HIS 110 16.737 -18.981 -11.013 789 HD1 HIS 110 HD1 HIS 110 17.217 -20.998 -12.432 790 HD2 HIS 110 HD2 HIS 110 15.570 -21.981 -8.740 791 HE1 HIS 110 HE1 HIS 110 16.776 -23.474 -12.520 792 HE2 HIS 110 HE2 HIS 110 15.631 -24.012 -10.336 793 H HIS 111 H HIS 111 20.061 -20.306 -8.967 794 HA HIS 111 HA HIS 111 21.420 -18.072 -10.188 795 HB2 HIS 111 1HB HIS 111 22.430 -20.612 -8.912 796 HB3 HIS 111 2HB HIS 111 23.489 -19.385 -9.600 797 HD1 HIS 111 HD1 HIS 111 21.971 -20.340 -6.491 798 HD2 HIS 111 HD2 HIS 111 22.987 -16.735 -8.299 799 HE1 HIS 111 HE1 HIS 111 22.034 -18.643 -4.633 800 HE2 HIS 111 HE2 HIS 111 22.462 -16.436 -5.781 801 H HIS 112 H HIS 112 22.524 -18.012 -12.036 802 HA HIS 112 HA HIS 112 21.971 -20.149 -13.968 803 HB2 HIS 112 1HB HIS 112 21.518 -17.572 -14.303 804 HB3 HIS 112 2HB HIS 112 23.238 -17.515 -14.664 805 HD1 HIS 112 HD1 HIS 112 23.919 -18.123 -17.008 806 HD2 HIS 112 HD2 HIS 112 20.014 -19.258 -16.125 807 HE1 HIS 112 HE1 HIS 112 22.923 -18.878 -19.186 808 HE2 HIS 112 HE2 HIS 112 20.516 -19.398 -18.663 809 H HIS 113 H HIS 113 23.549 -21.591 -14.327 810 HA HIS 113 HA HIS 113 26.004 -21.446 -12.964 811 HB2 HIS 113 1HB HIS 113 25.151 -23.242 -15.240 812 HB3 HIS 113 2HB HIS 113 26.641 -23.453 -14.325 813 HD1 HIS 113 HD1 HIS 113 23.488 -24.904 -14.475 814 HD2 HIS 113 HD2 HIS 113 25.762 -23.431 -11.323 815 HE1 HIS 113 HE1 HIS 113 22.580 -26.011 -12.410 816 HE2 HIS 113 HE2 HIS 113 24.110 -25.264 -10.551 817 H HIS 114 H HIS 114 25.325 -21.073 -16.443 818 HA HIS 114 HA HIS 114 27.367 -19.042 -16.550 819 HB2 HIS 114 1HB HIS 114 28.540 -20.042 -18.513 820 HB3 HIS 114 2HB HIS 114 28.789 -20.927 -17.017 821 HD1 HIS 114 HD1 HIS 114 27.663 -21.313 -20.474 822 HD2 HIS 114 HD2 HIS 114 27.308 -23.430 -16.912 823 HE1 HIS 114 HE1 HIS 114 26.955 -23.638 -21.133 824 HE2 HIS 114 HE2 HIS 114 26.740 -24.905 -18.960 Start of MODEL 16 1 H1 MET 1 1H MET 1 -15.332 15.798 -7.900 2 H2 MET 1 2H MET 1 -15.352 14.424 -8.887 3 H3 MET 1 3H MET 1 -14.954 15.933 -9.548 4 HA MET 1 HA MET 1 -12.992 14.583 -9.244 5 HB2 MET 1 1HB MET 1 -13.206 16.923 -7.337 6 HB3 MET 1 2HB MET 1 -11.693 16.167 -7.814 7 HG2 MET 1 1HG MET 1 -12.187 16.756 -10.160 8 HG3 MET 1 2HG MET 1 -13.631 17.603 -9.610 9 HE1 MET 1 3HE MET 1 -9.334 18.851 -8.478 10 HE2 MET 1 1HE MET 1 -9.712 17.476 -9.515 11 HE3 MET 1 2HE MET 1 -10.132 17.430 -7.802 12 H ILE 2 H ILE 2 -12.534 12.715 -8.309 13 HA ILE 2 HA ILE 2 -12.560 12.563 -5.394 14 HB ILE 2 HB ILE 2 -14.774 11.695 -6.273 15 HG12 ILE 2 1HG1 ILE 2 -13.111 9.594 -4.878 16 HG13 ILE 2 2HG1 ILE 2 -13.739 11.032 -4.076 17 HG21 ILE 2 1HG2 ILE 2 -14.797 9.447 -7.265 18 HG22 ILE 2 2HG2 ILE 2 -13.035 9.488 -7.365 19 HG23 ILE 2 3HG2 ILE 2 -13.999 10.629 -8.304 20 HD11 ILE 2 3HD1 ILE 2 -15.392 8.888 -5.390 21 HD12 ILE 2 1HD1 ILE 2 -16.014 10.318 -4.569 22 HD13 ILE 2 2HD1 ILE 2 -15.137 9.088 -3.657 23 HA PRO 3 HA PRO 3 -8.743 10.427 -6.279 24 HB2 PRO 3 1HB PRO 3 -8.930 9.355 -3.553 25 HB3 PRO 3 2HB PRO 3 -7.725 10.441 -4.247 26 HG2 PRO 3 1HG PRO 3 -9.522 11.297 -2.440 27 HG3 PRO 3 2HG PRO 3 -8.956 12.334 -3.763 28 HD2 PRO 3 1HD PRO 3 -11.507 10.774 -3.540 29 HD3 PRO 3 2HD PRO 3 -11.251 12.434 -4.121 30 H ASP 4 H ASP 4 -7.920 8.301 -6.450 31 HA ASP 4 HA ASP 4 -9.697 6.068 -5.813 32 HB2 ASP 4 1HB ASP 4 -10.030 6.918 -8.239 33 HB3 ASP 4 2HB ASP 4 -8.424 6.273 -8.545 34 H LEU 5 H LEU 5 -8.236 5.338 -4.274 35 HA LEU 5 HA LEU 5 -5.397 5.471 -4.870 36 HB2 LEU 5 1HB LEU 5 -6.815 4.558 -2.365 37 HB3 LEU 5 2HB LEU 5 -5.092 4.850 -2.527 38 HG LEU 5 HG LEU 5 -7.241 6.957 -2.791 39 HD11 LEU 5 1HD1 LEU 5 -7.036 6.168 -0.499 40 HD12 LEU 5 2HD1 LEU 5 -6.379 7.796 -0.661 41 HD13 LEU 5 3HD1 LEU 5 -5.290 6.413 -0.558 42 HD21 LEU 5 3HD2 LEU 5 -4.236 7.191 -2.743 43 HD22 LEU 5 1HD2 LEU 5 -5.380 8.533 -2.787 44 HD23 LEU 5 2HD2 LEU 5 -5.270 7.422 -4.154 45 H VAL 6 H VAL 6 -4.506 3.885 -5.955 46 HA VAL 6 HA VAL 6 -5.569 1.163 -5.594 47 HB VAL 6 HB VAL 6 -4.179 2.290 -8.029 48 HG11 VAL 6 1HG1 VAL 6 -4.934 0.230 -9.126 49 HG12 VAL 6 2HG1 VAL 6 -5.579 -0.345 -7.589 50 HG13 VAL 6 3HG1 VAL 6 -3.843 -0.102 -7.780 51 HG21 VAL 6 3HG2 VAL 6 -6.383 2.216 -9.101 52 HG22 VAL 6 1HG2 VAL 6 -6.360 3.325 -7.727 53 HG23 VAL 6 2HG2 VAL 6 -7.107 1.735 -7.565 54 HA PRO 7 HA PRO 7 -1.324 0.223 -4.272 55 HB2 PRO 7 1HB PRO 7 -2.041 -2.257 -3.367 56 HB3 PRO 7 2HB PRO 7 -2.120 -0.798 -2.375 57 HG2 PRO 7 1HG PRO 7 -4.302 -2.230 -3.818 58 HG3 PRO 7 2HG PRO 7 -4.331 -1.444 -2.229 59 HD2 PRO 7 1HD PRO 7 -5.373 -0.310 -4.469 60 HD3 PRO 7 2HD PRO 7 -4.701 0.635 -3.126 61 H VAL 8 H VAL 8 -0.339 -0.074 -6.187 62 HA VAL 8 HA VAL 8 -1.549 -1.674 -8.250 63 HB VAL 8 HB VAL 8 1.158 -0.347 -8.339 64 HG11 VAL 8 1HG1 VAL 8 -0.804 -1.071 -10.507 65 HG12 VAL 8 2HG1 VAL 8 0.706 -1.906 -10.147 66 HG13 VAL 8 3HG1 VAL 8 0.736 -0.247 -10.744 67 HG21 VAL 8 3HG2 VAL 8 0.009 1.601 -9.326 68 HG22 VAL 8 1HG2 VAL 8 -0.437 1.323 -7.642 69 HG23 VAL 8 2HG2 VAL 8 -1.542 0.855 -8.936 70 H SER 9 H SER 9 1.589 -1.736 -6.571 71 HA SER 9 HA SER 9 1.727 -4.610 -6.976 72 HB2 SER 9 1HB SER 9 2.757 -3.503 -8.988 73 HB3 SER 9 2HB SER 9 3.956 -2.790 -7.911 74 HG SER 9 HG SER 9 4.906 -4.613 -8.599 75 H LEU 10 H LEU 10 3.600 -5.549 -5.835 76 HA LEU 10 HA LEU 10 4.502 -3.955 -3.545 77 HB2 LEU 10 1HB LEU 10 2.590 -5.191 -2.753 78 HB3 LEU 10 2HB LEU 10 3.187 -6.670 -3.473 79 HG LEU 10 HG LEU 10 5.062 -6.678 -1.865 80 HD11 LEU 10 1HD1 LEU 10 3.639 -4.321 -0.643 81 HD12 LEU 10 2HD1 LEU 10 5.220 -4.292 -1.425 82 HD13 LEU 10 3HD1 LEU 10 4.993 -5.196 0.072 83 HD21 LEU 10 3HD2 LEU 10 3.051 -7.943 -1.397 84 HD22 LEU 10 1HD2 LEU 10 2.307 -6.526 -0.656 85 HD23 LEU 10 2HD2 LEU 10 3.715 -7.276 0.095 86 H THR 11 H THR 11 6.636 -3.887 -3.932 87 HA THR 11 HA THR 11 7.967 -6.337 -4.863 88 HB THR 11 HB THR 11 9.851 -4.706 -5.449 89 HG1 THR 11 HG1 THR 11 9.377 -2.565 -5.462 90 HG21 THR 11 3HG2 THR 11 7.204 -4.455 -6.883 91 HG22 THR 11 1HG2 THR 11 8.405 -5.722 -7.137 92 HG23 THR 11 2HG2 THR 11 8.783 -4.052 -7.559 93 HA PRO 12 HA PRO 12 9.707 -7.168 -5.054 94 HB2 PRO 12 1HB PRO 12 11.272 -9.130 -4.122 95 HB3 PRO 12 2HB PRO 12 11.923 -7.526 -4.474 96 HG2 PRO 12 1HG PRO 12 11.255 -8.767 -1.851 97 HG3 PRO 12 2HG PRO 12 12.575 -7.663 -2.269 98 HD2 PRO 12 1HD PRO 12 10.165 -6.954 -1.035 99 HD3 PRO 12 2HD PRO 12 11.311 -5.837 -1.800 100 H VAL 13 H VAL 13 8.866 -9.207 -5.724 101 HA VAL 13 HA VAL 13 6.754 -10.199 -4.003 102 HB VAL 13 HB VAL 13 6.112 -11.629 -5.893 103 HG11 VAL 13 1HG1 VAL 13 5.530 -9.851 -7.484 104 HG12 VAL 13 2HG1 VAL 13 6.665 -8.771 -6.676 105 HG13 VAL 13 3HG1 VAL 13 5.248 -9.366 -5.813 106 HG21 VAL 13 3HG2 VAL 13 7.283 -11.452 -8.046 107 HG22 VAL 13 1HG2 VAL 13 8.309 -12.147 -6.790 108 HG23 VAL 13 2HG2 VAL 13 8.528 -10.466 -7.277 109 H THR 14 H THR 14 9.900 -10.718 -3.987 110 HA THR 14 HA THR 14 9.587 -13.317 -2.719 111 HB THR 14 HB THR 14 11.888 -12.934 -4.618 112 HG1 THR 14 HG1 THR 14 9.238 -13.449 -5.235 113 HG21 THR 14 3HG2 THR 14 11.931 -15.372 -4.584 114 HG22 THR 14 1HG2 THR 14 10.510 -15.387 -3.538 115 HG23 THR 14 2HG2 THR 14 12.031 -14.719 -2.949 116 H VAL 15 H VAL 15 10.516 -13.130 -0.752 117 HA VAL 15 HA VAL 15 12.439 -10.915 -0.406 118 HB VAL 15 HB VAL 15 11.581 -10.746 1.931 119 HG11 VAL 15 1HG1 VAL 15 10.792 -9.220 0.204 120 HG12 VAL 15 2HG1 VAL 15 9.497 -9.598 1.340 121 HG13 VAL 15 3HG1 VAL 15 9.529 -10.365 -0.248 122 HG21 VAL 15 3HG2 VAL 15 10.668 -12.996 2.156 123 HG22 VAL 15 1HG2 VAL 15 9.451 -12.637 0.932 124 HG23 VAL 15 2HG2 VAL 15 9.428 -11.783 2.475 125 H VAL 16 H VAL 16 14.091 -11.140 1.142 126 HA VAL 16 HA VAL 16 14.918 -13.919 1.570 127 HB VAL 16 HB VAL 16 16.663 -11.615 2.309 128 HG11 VAL 16 1HG1 VAL 16 17.193 -14.308 1.068 129 HG12 VAL 16 2HG1 VAL 16 17.414 -13.869 2.762 130 HG13 VAL 16 3HG1 VAL 16 18.425 -13.129 1.520 131 HG21 VAL 16 3HG2 VAL 16 15.814 -10.920 0.146 132 HG22 VAL 16 1HG2 VAL 16 16.207 -12.498 -0.540 133 HG23 VAL 16 2HG2 VAL 16 17.498 -11.426 0.004 134 HA PRO 17 HA PRO 17 13.454 -13.323 5.785 135 HB2 PRO 17 1HB PRO 17 14.651 -15.990 6.177 136 HB3 PRO 17 2HB PRO 17 12.989 -15.455 6.437 137 HG2 PRO 17 1HG PRO 17 13.633 -17.047 4.382 138 HG3 PRO 17 2HG PRO 17 12.394 -15.787 4.227 139 HD2 PRO 17 1HD PRO 17 15.243 -15.768 3.299 140 HD3 PRO 17 2HD PRO 17 13.784 -15.180 2.472 141 H ASN 18 H ASN 18 14.527 -14.001 7.996 142 HA ASN 18 HA ASN 18 16.226 -13.934 9.504 143 HB2 ASN 18 1HB ASN 18 18.186 -13.867 7.203 144 HB3 ASN 18 2HB ASN 18 18.526 -14.282 8.877 145 HD21 ASN 18 2HD2 ASN 18 17.332 -15.359 5.846 146 HD22 ASN 18 1HD2 ASN 18 17.134 -17.025 6.271 147 H THR 19 H THR 19 15.082 -11.542 7.970 148 HA THR 19 HA THR 19 16.655 -9.547 9.284 149 HB THR 19 HB THR 19 18.054 -9.949 7.282 150 HG1 THR 19 HG1 THR 19 17.588 -7.735 8.237 151 HG21 THR 19 3HG2 THR 19 16.332 -10.678 5.725 152 HG22 THR 19 1HG2 THR 19 17.227 -9.313 5.061 153 HG23 THR 19 2HG2 THR 19 15.617 -9.065 5.735 154 H VAL 20 H VAL 20 15.726 -7.327 8.908 155 HA VAL 20 HA VAL 20 12.863 -7.449 8.431 156 HB VAL 20 HB VAL 20 14.570 -5.035 9.075 157 HG11 VAL 20 1HG1 VAL 20 11.579 -5.439 9.137 158 HG12 VAL 20 2HG1 VAL 20 12.481 -4.430 8.002 159 HG13 VAL 20 3HG1 VAL 20 12.427 -4.001 9.713 160 HG21 VAL 20 3HG2 VAL 20 14.665 -6.674 10.869 161 HG22 VAL 20 1HG2 VAL 20 12.904 -6.775 10.886 162 HG23 VAL 20 2HG2 VAL 20 13.706 -5.277 11.358 163 H ASN 21 H ASN 21 12.165 -7.424 6.437 164 HA ASN 21 HA ASN 21 13.864 -6.464 4.296 165 HB2 ASN 21 1HB ASN 21 11.129 -7.753 4.169 166 HB3 ASN 21 2HB ASN 21 12.238 -7.519 2.819 167 HD21 ASN 21 2HD2 ASN 21 13.836 -8.961 2.485 168 HD22 ASN 21 1HD2 ASN 21 14.094 -10.366 3.468 169 H THR 22 H THR 22 13.730 -4.524 3.456 170 HA THR 22 HA THR 22 11.503 -2.779 3.941 171 HB THR 22 HB THR 22 13.946 -2.489 2.180 172 HG1 THR 22 HG1 THR 22 13.459 -0.869 4.411 173 HG21 THR 22 3HG2 THR 22 11.831 -0.440 2.848 174 HG22 THR 22 1HG2 THR 22 12.112 -1.165 1.265 175 HG23 THR 22 2HG2 THR 22 13.337 -0.120 1.987 176 H MET 23 H MET 23 9.642 -3.277 2.941 177 HA MET 23 HA MET 23 9.783 -4.153 0.144 178 HB2 MET 23 1HB MET 23 7.525 -4.429 2.132 179 HB3 MET 23 2HB MET 23 7.466 -4.960 0.456 180 HG2 MET 23 1HG MET 23 9.494 -6.391 1.007 181 HG3 MET 23 2HG MET 23 9.133 -6.046 2.697 182 HE1 MET 23 3HE MET 23 6.334 -8.305 -0.180 183 HE2 MET 23 1HE MET 23 7.961 -7.771 -0.596 184 HE3 MET 23 2HE MET 23 6.683 -6.584 -0.339 185 H THR 24 H THR 24 8.549 -3.188 -1.419 186 HA THR 24 HA THR 24 7.730 -0.441 -0.748 187 HB THR 24 HB THR 24 8.863 -1.462 -3.358 188 HG1 THR 24 HG1 THR 24 10.097 -0.874 -1.065 189 HG21 THR 24 3HG2 THR 24 8.341 1.342 -2.376 190 HG22 THR 24 1HG2 THR 24 7.417 0.494 -3.614 191 HG23 THR 24 2HG2 THR 24 9.105 0.914 -3.906 192 H ALA 25 H ALA 25 5.567 -0.364 -0.741 193 HA ALA 25 HA ALA 25 4.077 -1.772 -2.829 194 HB1 ALA 25 3HB ALA 25 3.079 -0.245 -0.424 195 HB2 ALA 25 1HB ALA 25 3.244 -1.996 -0.542 196 HB3 ALA 25 2HB ALA 25 2.078 -1.150 -1.560 197 H THR 26 H THR 26 3.647 -0.707 -4.649 198 HA THR 26 HA THR 26 3.967 2.178 -4.733 199 HB THR 26 HB THR 26 3.323 0.264 -6.987 200 HG1 THR 26 HG1 THR 26 5.817 1.347 -6.100 201 HG21 THR 26 3HG2 THR 26 2.737 2.598 -7.474 202 HG22 THR 26 1HG2 THR 26 4.120 2.072 -8.435 203 HG23 THR 26 2HG2 THR 26 4.368 3.100 -7.024 204 H ILE 27 H ILE 27 2.277 3.323 -4.069 205 HA ILE 27 HA ILE 27 -0.431 2.386 -4.733 206 HB ILE 27 HB ILE 27 0.262 4.641 -2.852 207 HG12 ILE 27 1HG1 ILE 27 1.380 2.644 -2.010 208 HG13 ILE 27 2HG1 ILE 27 -0.001 3.037 -0.996 209 HG21 ILE 27 1HG2 ILE 27 -2.029 4.611 -3.630 210 HG22 ILE 27 2HG2 ILE 27 -1.968 4.156 -1.927 211 HG23 ILE 27 3HG2 ILE 27 -2.193 2.918 -3.163 212 HD11 ILE 27 3HD1 ILE 27 0.075 0.897 -3.109 213 HD12 ILE 27 1HD1 ILE 27 -1.296 1.277 -2.065 214 HD13 ILE 27 2HD1 ILE 27 0.197 0.645 -1.367 215 H GLU 28 H GLU 28 -1.250 3.246 -6.530 216 HA GLU 28 HA GLU 28 -0.457 5.980 -7.256 217 HB2 GLU 28 1HB GLU 28 -1.600 3.718 -8.879 218 HB3 GLU 28 2HB GLU 28 -1.577 5.373 -9.472 219 HG2 GLU 28 1HG GLU 28 0.870 5.397 -9.184 220 HG3 GLU 28 2HG GLU 28 0.803 3.700 -8.716 221 H ASN 29 H ASN 29 -1.873 7.599 -7.210 222 HA ASN 29 HA ASN 29 -4.640 7.026 -6.501 223 HB2 ASN 29 1HB ASN 29 -3.567 8.831 -5.283 224 HB3 ASN 29 2HB ASN 29 -3.130 9.635 -6.785 225 HD21 ASN 29 2HD2 ASN 29 -4.186 11.494 -6.148 226 HD22 ASN 29 1HD2 ASN 29 -5.914 11.630 -6.167 227 H GLN 30 H GLN 30 -5.537 6.176 -8.316 228 HA GLN 30 HA GLN 30 -5.108 7.484 -10.877 229 HB2 GLN 30 1HB GLN 30 -6.676 4.995 -10.173 230 HB3 GLN 30 2HB GLN 30 -6.361 5.573 -11.805 231 HG2 GLN 30 1HG GLN 30 -3.915 5.364 -11.307 232 HG3 GLN 30 2HG GLN 30 -4.359 4.567 -9.800 233 HE21 GLN 30 2HE2 GLN 30 -2.847 3.569 -12.068 234 HE22 GLN 30 1HE2 GLN 30 -3.684 2.164 -12.639 235 H GLY 31 H GLY 31 -6.265 9.251 -9.393 236 HA2 GLY 31 1HA GLY 31 -8.965 9.460 -10.505 237 HA3 GLY 31 2HA GLY 31 -8.766 9.656 -8.765 238 H ASN 32 H ASN 32 -9.791 11.713 -10.332 239 HA ASN 32 HA ASN 32 -7.594 13.397 -11.184 240 HB2 ASN 32 1HB ASN 32 -9.216 14.807 -12.188 241 HB3 ASN 32 2HB ASN 32 -9.736 13.153 -12.478 242 HD21 ASN 32 2HD2 ASN 32 -11.287 15.553 -12.552 243 HD22 ASN 32 1HD2 ASN 32 -12.560 15.362 -11.395 244 H LYS 33 H LYS 33 -8.956 12.868 -8.242 245 HA LYS 33 HA LYS 33 -8.409 15.639 -7.394 246 HB2 LYS 33 1HB LYS 33 -10.707 14.825 -6.872 247 HB3 LYS 33 2HB LYS 33 -10.000 13.541 -5.897 248 HG2 LYS 33 1HG LYS 33 -8.875 15.369 -4.553 249 HG3 LYS 33 2HG LYS 33 -9.930 16.502 -5.396 250 HD2 LYS 33 1HD LYS 33 -11.889 15.324 -4.544 251 HD3 LYS 33 2HD LYS 33 -10.843 14.161 -3.726 252 HE2 LYS 33 1HE LYS 33 -11.016 17.123 -3.176 253 HE3 LYS 33 2HE LYS 33 -11.636 15.829 -2.152 254 HZ1 LYS 33 3HZ LYS 33 -9.348 15.049 -1.850 255 HZ2 LYS 33 1HZ LYS 33 -9.529 16.648 -1.322 256 HZ3 LYS 33 2HZ LYS 33 -8.775 16.328 -2.804 257 H ASP 34 H ASP 34 -6.974 16.001 -5.728 258 HA ASP 34 HA ASP 34 -5.024 13.956 -5.222 259 HB2 ASP 34 1HB ASP 34 -5.319 16.607 -3.791 260 HB3 ASP 34 2HB ASP 34 -3.873 15.610 -3.887 261 H SER 35 H SER 35 -4.573 12.974 -3.192 262 HA SER 35 HA SER 35 -6.938 12.872 -1.446 263 HB2 SER 35 1HB SER 35 -6.068 10.610 -0.768 264 HB3 SER 35 2HB SER 35 -6.555 10.729 -2.459 265 HG SER 35 HG SER 35 -4.193 11.245 -2.777 266 H THR 36 H THR 36 -6.734 13.065 0.727 267 HA THR 36 HA THR 36 -4.465 14.505 1.700 268 HB THR 36 HB THR 36 -5.825 14.283 3.902 269 HG1 THR 36 HG1 THR 36 -7.439 12.921 3.707 270 HG21 THR 36 3HG2 THR 36 -5.747 16.314 2.535 271 HG22 THR 36 1HG2 THR 36 -7.364 16.044 3.187 272 HG23 THR 36 2HG2 THR 36 -7.020 15.665 1.499 273 H SER 37 H SER 37 -4.265 13.600 4.356 274 HA SER 37 HA SER 37 -2.348 11.550 4.070 275 HB2 SER 37 1HB SER 37 -3.707 12.479 6.612 276 HB3 SER 37 2HB SER 37 -2.155 11.651 6.486 277 HG SER 37 HG SER 37 -1.824 13.666 4.954 278 H PHE 38 H PHE 38 -2.517 9.404 4.143 279 HA PHE 38 HA PHE 38 -4.877 8.188 5.369 280 HB2 PHE 38 1HB PHE 38 -5.319 6.768 3.452 281 HB3 PHE 38 2HB PHE 38 -5.388 8.452 2.956 282 HD1 PHE 38 HD1 PHE 38 -3.601 9.405 1.554 283 HD2 PHE 38 HD2 PHE 38 -3.680 5.281 2.593 284 HE1 PHE 38 HE1 PHE 38 -1.988 8.920 -0.243 285 HE2 PHE 38 HE2 PHE 38 -2.073 4.799 0.800 286 HZ PHE 38 HZ PHE 38 -1.218 6.600 -0.605 287 H ASN 39 H ASN 39 -4.589 5.943 5.909 288 HA ASN 39 HA ASN 39 -1.746 5.388 6.456 289 HB2 ASN 39 1HB ASN 39 -4.226 4.293 7.799 290 HB3 ASN 39 2HB ASN 39 -2.568 3.951 8.276 291 HD21 ASN 39 2HD2 ASN 39 -5.103 6.321 8.192 292 HD22 ASN 39 1HD2 ASN 39 -4.396 7.407 9.342 293 H VAL 40 H VAL 40 -0.826 3.931 5.147 294 HA VAL 40 HA VAL 40 -2.529 1.831 4.011 295 HB VAL 40 HB VAL 40 -0.098 3.228 3.035 296 HG11 VAL 40 1HG1 VAL 40 -0.516 0.287 2.453 297 HG12 VAL 40 2HG1 VAL 40 0.838 0.982 3.344 298 HG13 VAL 40 3HG1 VAL 40 0.625 1.353 1.634 299 HG21 VAL 40 3HG2 VAL 40 -2.317 1.764 1.619 300 HG22 VAL 40 1HG2 VAL 40 -1.174 2.905 0.914 301 HG23 VAL 40 2HG2 VAL 40 -2.367 3.460 2.092 302 H SER 41 H SER 41 -2.449 -0.146 4.765 303 HA SER 41 HA SER 41 -0.286 -0.806 6.655 304 HB2 SER 41 1HB SER 41 -3.117 -1.867 6.705 305 HB3 SER 41 2HB SER 41 -1.884 -2.043 7.956 306 HG SER 41 HG SER 41 -2.441 0.555 7.230 307 H LEU 42 H LEU 42 0.672 -2.786 6.540 308 HA LEU 42 HA LEU 42 -0.038 -4.446 4.224 309 HB2 LEU 42 1HB LEU 42 2.301 -3.626 4.408 310 HB3 LEU 42 2HB LEU 42 2.461 -4.502 5.919 311 HG LEU 42 HG LEU 42 2.065 -6.626 4.699 312 HD11 LEU 42 1HD1 LEU 42 2.187 -4.875 2.249 313 HD12 LEU 42 2HD1 LEU 42 0.767 -5.737 2.841 314 HD13 LEU 42 3HD1 LEU 42 2.168 -6.638 2.263 315 HD21 LEU 42 3HD2 LEU 42 4.337 -5.864 5.141 316 HD22 LEU 42 1HD2 LEU 42 4.331 -4.946 3.634 317 HD23 LEU 42 2HD2 LEU 42 4.239 -6.707 3.594 318 H LEU 43 H LEU 43 -1.398 -6.016 4.701 319 HA LEU 43 HA LEU 43 -1.305 -7.242 7.360 320 HB2 LEU 43 1HB LEU 43 -3.377 -7.566 5.185 321 HB3 LEU 43 2HB LEU 43 -3.485 -8.199 6.815 322 HG LEU 43 HG LEU 43 -3.258 -5.629 7.448 323 HD11 LEU 43 1HD1 LEU 43 -2.956 -4.836 5.180 324 HD12 LEU 43 2HD1 LEU 43 -4.460 -4.218 5.866 325 HD13 LEU 43 3HD1 LEU 43 -4.498 -5.550 4.709 326 HD21 LEU 43 3HD2 LEU 43 -5.802 -6.906 6.458 327 HD22 LEU 43 1HD2 LEU 43 -5.695 -5.520 7.544 328 HD23 LEU 43 2HD2 LEU 43 -5.103 -7.098 8.067 329 H VAL 44 H VAL 44 -0.109 -8.998 7.558 330 HA VAL 44 HA VAL 44 0.362 -10.709 5.227 331 HB VAL 44 HB VAL 44 1.723 -10.699 7.931 332 HG11 VAL 44 1HG1 VAL 44 2.375 -12.275 5.440 333 HG12 VAL 44 2HG1 VAL 44 1.707 -12.933 6.933 334 HG13 VAL 44 3HG1 VAL 44 3.331 -12.244 6.920 335 HG21 VAL 44 3HG2 VAL 44 3.647 -9.802 6.712 336 HG22 VAL 44 1HG2 VAL 44 2.253 -8.728 6.599 337 HG23 VAL 44 2HG2 VAL 44 2.687 -9.758 5.233 338 H ASP 45 H ASP 45 -1.225 -12.122 4.999 339 HA ASP 45 HA ASP 45 -2.631 -13.857 5.366 340 HB2 ASP 45 1HB ASP 45 -0.523 -14.391 7.443 341 HB3 ASP 45 2HB ASP 45 -1.918 -15.450 7.277 342 H GLY 46 H GLY 46 -2.977 -11.251 6.894 343 HA2 GLY 46 1HA GLY 46 -5.299 -10.998 7.769 344 HA3 GLY 46 2HA GLY 46 -4.906 -12.317 8.861 345 H ILE 47 H ILE 47 -2.197 -11.320 9.380 346 HA ILE 47 HA ILE 47 -2.981 -9.413 11.451 347 HB ILE 47 HB ILE 47 -0.232 -10.571 11.127 348 HG12 ILE 47 1HG1 ILE 47 -2.547 -11.877 12.578 349 HG13 ILE 47 2HG1 ILE 47 -1.884 -12.435 11.046 350 HG21 ILE 47 1HG2 ILE 47 -0.161 -10.310 13.561 351 HG22 ILE 47 2HG2 ILE 47 -1.806 -9.675 13.531 352 HG23 ILE 47 3HG2 ILE 47 -0.501 -8.784 12.745 353 HD11 ILE 47 3HD1 ILE 47 -0.422 -12.335 13.676 354 HD12 ILE 47 1HD1 ILE 47 0.254 -12.884 12.141 355 HD13 ILE 47 2HD1 ILE 47 -1.070 -13.776 12.891 356 H VAL 48 H VAL 48 -1.839 -7.446 11.792 357 HA VAL 48 HA VAL 48 -0.811 -6.305 9.293 358 HB VAL 48 HB VAL 48 -1.586 -4.863 11.839 359 HG11 VAL 48 1HG1 VAL 48 -1.575 -2.860 10.436 360 HG12 VAL 48 2HG1 VAL 48 -1.039 -3.826 9.060 361 HG13 VAL 48 3HG1 VAL 48 0.010 -3.634 10.464 362 HG21 VAL 48 3HG2 VAL 48 -3.629 -4.220 10.652 363 HG22 VAL 48 1HG2 VAL 48 -3.521 -5.970 10.851 364 HG23 VAL 48 2HG2 VAL 48 -3.155 -5.235 9.289 365 H VAL 49 H VAL 49 1.326 -6.172 9.038 366 HA VAL 49 HA VAL 49 3.020 -6.425 11.413 367 HB VAL 49 HB VAL 49 4.864 -6.899 9.842 368 HG11 VAL 49 1HG1 VAL 49 2.404 -8.594 9.429 369 HG12 VAL 49 2HG1 VAL 49 3.555 -8.731 10.760 370 HG13 VAL 49 3HG1 VAL 49 4.065 -9.094 9.111 371 HG21 VAL 49 3HG2 VAL 49 4.101 -5.610 7.924 372 HG22 VAL 49 1HG2 VAL 49 2.729 -6.699 7.719 373 HG23 VAL 49 2HG2 VAL 49 4.370 -7.293 7.469 374 H ASP 50 H ASP 50 2.102 -4.113 9.020 375 HA ASP 50 HA ASP 50 3.743 -2.114 10.323 376 HB2 ASP 50 1HB ASP 50 5.120 -3.210 8.432 377 HB3 ASP 50 2HB ASP 50 4.020 -2.385 7.332 378 H THR 51 H THR 51 2.917 -0.084 10.138 379 HA THR 51 HA THR 51 0.641 0.341 8.324 380 HB THR 51 HB THR 51 0.679 1.373 11.165 381 HG1 THR 51 HG1 THR 51 -0.305 -1.063 10.107 382 HG21 THR 51 3HG2 THR 51 -1.528 1.072 9.122 383 HG22 THR 51 1HG2 THR 51 -0.751 2.583 9.592 384 HG23 THR 51 2HG2 THR 51 -1.724 1.692 10.761 385 H GLN 52 H GLN 52 1.357 1.883 6.981 386 HA GLN 52 HA GLN 52 3.116 3.973 8.075 387 HB2 GLN 52 1HB GLN 52 4.122 2.511 6.357 388 HB3 GLN 52 2HB GLN 52 2.857 2.974 5.230 389 HG2 GLN 52 1HG GLN 52 4.343 5.215 6.392 390 HG3 GLN 52 2HG GLN 52 5.299 4.128 5.387 391 HE21 GLN 52 2HE2 GLN 52 5.577 5.710 3.819 392 HE22 GLN 52 1HE2 GLN 52 4.296 6.168 2.748 393 H THR 53 H THR 53 2.610 6.106 7.781 394 HA THR 53 HA THR 53 -0.079 6.618 6.704 395 HB THR 53 HB THR 53 1.534 8.416 8.518 396 HG1 THR 53 HG1 THR 53 -0.540 6.580 9.235 397 HG21 THR 53 3HG2 THR 53 -0.253 9.528 7.268 398 HG22 THR 53 1HG2 THR 53 -0.646 9.437 8.985 399 HG23 THR 53 2HG2 THR 53 -1.410 8.330 7.846 400 H VAL 54 H VAL 54 -0.006 7.294 4.659 401 HA VAL 54 HA VAL 54 2.203 8.802 3.591 402 HB VAL 54 HB VAL 54 -0.510 8.306 2.345 403 HG11 VAL 54 1HG1 VAL 54 0.701 10.135 1.300 404 HG12 VAL 54 2HG1 VAL 54 0.644 8.738 0.225 405 HG13 VAL 54 3HG1 VAL 54 2.124 9.108 1.111 406 HG21 VAL 54 3HG2 VAL 54 0.574 6.191 2.884 407 HG22 VAL 54 1HG2 VAL 54 2.037 6.715 2.049 408 HG23 VAL 54 2HG2 VAL 54 0.546 6.456 1.141 409 H THR 55 H THR 55 2.393 10.951 3.533 410 HA THR 55 HA THR 55 0.763 12.628 5.056 411 HB THR 55 HB THR 55 2.596 13.521 2.829 412 HG1 THR 55 HG1 THR 55 3.127 12.436 5.386 413 HG21 THR 55 3HG2 THR 55 1.238 15.291 3.846 414 HG22 THR 55 1HG2 THR 55 2.941 15.479 4.266 415 HG23 THR 55 2HG2 THR 55 1.810 14.816 5.446 416 H SER 56 H SER 56 0.858 12.086 1.559 417 HA SER 56 HA SER 56 -1.813 12.664 1.076 418 HB2 SER 56 1HB SER 56 -1.181 14.980 1.752 419 HB3 SER 56 2HB SER 56 0.002 15.016 0.446 420 HG SER 56 HG SER 56 -2.604 14.333 -0.262 421 H LEU 57 H LEU 57 -2.256 11.792 -0.861 422 HA LEU 57 HA LEU 57 -0.012 11.439 -2.729 423 HB2 LEU 57 1HB LEU 57 -0.915 9.342 -1.916 424 HB3 LEU 57 2HB LEU 57 -2.536 9.823 -2.374 425 HG LEU 57 HG LEU 57 -2.007 9.644 -4.709 426 HD11 LEU 57 1HD1 LEU 57 0.817 9.039 -3.849 427 HD12 LEU 57 2HD1 LEU 57 0.269 10.508 -4.658 428 HD13 LEU 57 3HD1 LEU 57 0.200 8.960 -5.499 429 HD21 LEU 57 3HD2 LEU 57 -2.612 7.581 -3.576 430 HD22 LEU 57 1HD2 LEU 57 -0.919 7.289 -3.174 431 HD23 LEU 57 2HD2 LEU 57 -1.442 7.264 -4.858 432 H GLU 58 H GLU 58 -0.042 12.666 -4.452 433 HA GLU 58 HA GLU 58 -2.252 14.368 -5.026 434 HB2 GLU 58 1HB GLU 58 0.322 13.907 -6.540 435 HB3 GLU 58 2HB GLU 58 -0.825 15.200 -6.866 436 HG2 GLU 58 1HG GLU 58 -0.428 16.154 -4.685 437 HG3 GLU 58 2HG GLU 58 0.643 14.816 -4.269 438 H SER 59 H SER 59 -3.176 14.624 -7.162 439 HA SER 59 HA SER 59 -4.410 12.289 -8.091 440 HB2 SER 59 1HB SER 59 -5.002 13.890 -10.073 441 HB3 SER 59 2HB SER 59 -5.627 14.232 -8.462 442 HG SER 59 HG SER 59 -4.043 15.784 -8.180 443 H GLU 60 H GLU 60 -3.768 10.759 -9.395 444 HA GLU 60 HA GLU 60 -2.640 9.538 -10.907 445 HB2 GLU 60 1HB GLU 60 -2.283 12.233 -12.216 446 HB3 GLU 60 2HB GLU 60 -1.825 10.710 -12.969 447 HG2 GLU 60 1HG GLU 60 -4.191 9.956 -12.692 448 HG3 GLU 60 2HG GLU 60 -4.584 11.589 -12.161 449 H ASN 61 H ASN 61 -1.215 10.660 -8.578 450 HA ASN 61 HA ASN 61 1.531 10.442 -9.631 451 HB2 ASN 61 1HB ASN 61 0.783 12.434 -8.113 452 HB3 ASN 61 2HB ASN 61 0.866 11.258 -6.807 453 HD21 ASN 61 2HD2 ASN 61 2.447 13.626 -7.102 454 HD22 ASN 61 1HD2 ASN 61 4.098 13.129 -7.229 455 H SER 62 H SER 62 2.997 9.044 -8.439 456 HA SER 62 HA SER 62 1.601 6.804 -7.142 457 HB2 SER 62 1HB SER 62 3.566 5.432 -7.934 458 HB3 SER 62 2HB SER 62 2.554 6.074 -9.226 459 HG SER 62 HG SER 62 4.711 6.421 -9.740 460 H THR 63 H THR 63 2.073 6.475 -5.061 461 HA THR 63 HA THR 63 4.608 7.563 -4.031 462 HB THR 63 HB THR 63 1.994 7.098 -2.576 463 HG1 THR 63 HG1 THR 63 3.461 9.381 -3.408 464 HG21 THR 63 3HG2 THR 63 3.886 6.497 -1.128 465 HG22 THR 63 1HG2 THR 63 3.104 7.981 -0.583 466 HG23 THR 63 2HG2 THR 63 4.633 8.061 -1.457 467 H ASN 64 H ASN 64 6.056 6.191 -3.257 468 HA ASN 64 HA ASN 64 5.380 3.355 -3.148 469 HB2 ASN 64 1HB ASN 64 8.011 4.831 -2.976 470 HB3 ASN 64 2HB ASN 64 7.868 3.092 -2.755 471 HD21 ASN 64 2HD2 ASN 64 9.319 4.601 -4.766 472 HD22 ASN 64 1HD2 ASN 64 8.715 4.078 -6.301 473 H VAL 65 H VAL 65 5.058 2.279 -1.322 474 HA VAL 65 HA VAL 65 5.271 3.769 1.181 475 HB VAL 65 HB VAL 65 3.941 1.105 0.670 476 HG11 VAL 65 1HG1 VAL 65 3.743 3.006 3.003 477 HG12 VAL 65 2HG1 VAL 65 4.552 1.439 3.002 478 HG13 VAL 65 3HG1 VAL 65 2.803 1.528 2.797 479 HG21 VAL 65 3HG2 VAL 65 2.866 2.829 -0.643 480 HG22 VAL 65 1HG2 VAL 65 2.755 3.874 0.776 481 HG23 VAL 65 2HG2 VAL 65 1.833 2.372 0.712 482 H ASP 66 H ASP 66 6.840 3.426 2.559 483 HA ASP 66 HA ASP 66 8.745 1.292 2.105 484 HB2 ASP 66 1HB ASP 66 9.568 3.555 2.546 485 HB3 ASP 66 2HB ASP 66 8.719 3.583 4.087 486 H PHE 67 H PHE 67 7.880 -0.618 2.785 487 HA PHE 67 HA PHE 67 6.672 -0.771 5.441 488 HB2 PHE 67 1HB PHE 67 6.812 -2.668 3.115 489 HB3 PHE 67 2HB PHE 67 6.361 -3.237 4.717 490 HD1 PHE 67 HD2 PHE 67 4.666 -1.177 5.775 491 HD2 PHE 67 HD1 PHE 67 4.945 -2.642 1.789 492 HE1 PHE 67 HE2 PHE 67 2.332 -0.512 5.373 493 HE2 PHE 67 HE1 PHE 67 2.612 -1.980 1.381 494 HZ PHE 67 HZ PHE 67 1.303 -0.917 3.174 495 H HIS 68 H HIS 68 7.475 -1.926 7.121 496 HA HIS 68 HA HIS 68 10.211 -2.989 6.796 497 HB2 HIS 68 1HB HIS 68 9.124 -2.014 9.426 498 HB3 HIS 68 2HB HIS 68 10.802 -2.168 8.914 499 HD1 HIS 68 HD1 HIS 68 7.838 0.083 8.699 500 HD2 HIS 68 HD2 HIS 68 11.807 0.024 7.481 501 HE1 HIS 68 HE1 HIS 68 8.343 2.422 7.930 502 HE2 HIS 68 HE2 HIS 68 10.621 2.239 6.874 503 H TRP 69 H TRP 69 9.778 -5.134 6.546 504 HA TRP 69 HA TRP 69 8.014 -6.379 8.546 505 HB2 TRP 69 1HB TRP 69 6.964 -6.592 6.421 506 HB3 TRP 69 2HB TRP 69 8.470 -7.051 5.639 507 HD1 TRP 69 HD1 TRP 69 7.408 -8.784 8.887 508 HE1 TRP 69 HE1 TRP 69 6.882 -11.254 8.363 509 HE3 TRP 69 HE3 TRP 69 7.621 -8.575 3.790 510 HZ2 TRP 69 HZ2 TRP 69 6.600 -12.886 6.065 511 HZ3 TRP 69 HZ3 TRP 69 7.199 -10.627 2.503 512 HH2 TRP 69 HH2 TRP 69 6.692 -12.734 3.617 513 H THR 70 H THR 70 9.136 -7.390 10.013 514 HA THR 70 HA THR 70 11.770 -8.444 9.548 515 HB THR 70 HB THR 70 10.005 -9.000 11.934 516 HG1 THR 70 HG1 THR 70 10.144 -6.699 11.470 517 HG21 THR 70 3HG2 THR 70 12.081 -10.285 11.806 518 HG22 THR 70 1HG2 THR 70 12.150 -9.115 13.125 519 HG23 THR 70 2HG2 THR 70 13.003 -8.793 11.614 520 H LEU 71 H LEU 71 11.797 -10.173 8.157 521 HA LEU 71 HA LEU 71 9.802 -12.139 7.982 522 HB2 LEU 71 1HB LEU 71 12.386 -11.670 6.824 523 HB3 LEU 71 2HB LEU 71 12.247 -13.356 7.288 524 HG LEU 71 HG LEU 71 11.556 -13.118 5.004 525 HD11 LEU 71 1HD1 LEU 71 9.176 -13.508 6.779 526 HD12 LEU 71 2HD1 LEU 71 10.346 -14.741 6.305 527 HD13 LEU 71 3HD1 LEU 71 9.301 -14.004 5.091 528 HD21 LEU 71 3HD2 LEU 71 11.000 -10.762 5.011 529 HD22 LEU 71 1HD2 LEU 71 9.577 -11.092 5.998 530 HD23 LEU 71 2HD2 LEU 71 9.672 -11.717 4.351 531 H ASP 72 H ASP 72 9.201 -13.514 9.449 532 HA ASP 72 HA ASP 72 10.819 -14.013 11.775 533 HB2 ASP 72 1HB ASP 72 8.373 -13.660 11.916 534 HB3 ASP 72 2HB ASP 72 8.120 -15.152 11.017 535 H GLY 73 H GLY 73 9.887 -15.771 8.901 536 HA2 GLY 73 1HA GLY 73 11.908 -17.759 9.418 537 HA3 GLY 73 2HA GLY 73 10.267 -18.383 9.520 538 H THR 74 H THR 74 10.432 -19.714 7.742 539 HA THR 74 HA THR 74 10.391 -18.301 5.171 540 HB THR 74 HB THR 74 11.845 -20.919 5.615 541 HG1 THR 74 HG1 THR 74 12.646 -18.502 6.239 542 HG21 THR 74 3HG2 THR 74 12.695 -20.559 3.350 543 HG22 THR 74 1HG2 THR 74 11.753 -19.074 3.222 544 HG23 THR 74 2HG2 THR 74 10.933 -20.630 3.350 545 H ALA 75 H ALA 75 8.101 -18.510 5.378 546 HA ALA 75 HA ALA 75 6.935 -21.168 5.361 547 HB1 ALA 75 3HB ALA 75 5.809 -19.321 6.534 548 HB2 ALA 75 1HB ALA 75 4.792 -20.033 5.279 549 HB3 ALA 75 2HB ALA 75 5.596 -18.490 4.990 550 H ASN 76 H ASN 76 8.479 -19.451 3.093 551 HA ASN 76 HA ASN 76 8.701 -19.644 0.859 552 HB2 ASN 76 1HB ASN 76 6.585 -21.751 1.193 553 HB3 ASN 76 2HB ASN 76 7.189 -21.287 -0.395 554 HD21 ASN 76 2HD2 ASN 76 9.368 -21.669 -0.898 555 HD22 ASN 76 1HD2 ASN 76 10.287 -22.865 -0.047 556 H SER 77 H SER 77 5.263 -19.559 1.745 557 HA SER 77 HA SER 77 5.015 -17.277 -0.082 558 HB2 SER 77 1HB SER 77 2.693 -18.132 -0.641 559 HB3 SER 77 2HB SER 77 4.040 -19.036 -1.326 560 HG SER 77 HG SER 77 3.150 -19.908 1.156 561 H TYR 78 H TYR 78 4.245 -15.540 0.855 562 HA TYR 78 HA TYR 78 2.563 -15.838 3.263 563 HB2 TYR 78 1HB TYR 78 4.537 -13.664 2.537 564 HB3 TYR 78 2HB TYR 78 3.410 -13.552 3.882 565 HD1 TYR 78 HD1 TYR 78 6.333 -15.409 2.581 566 HD2 TYR 78 HD2 TYR 78 3.863 -14.603 5.948 567 HE1 TYR 78 HE1 TYR 78 7.963 -16.530 4.039 568 HE2 TYR 78 HE2 TYR 78 5.485 -15.719 7.414 569 HH TYR 78 HH TYR 78 7.263 -17.259 7.359 570 H THR 79 H THR 79 0.735 -14.529 3.442 571 HA THR 79 HA THR 79 -0.208 -13.473 0.874 572 HB THR 79 HB THR 79 -1.791 -13.892 3.421 573 HG1 THR 79 HG1 THR 79 -0.848 -15.836 2.321 574 HG21 THR 79 3HG2 THR 79 -2.801 -12.285 1.876 575 HG22 THR 79 1HG2 THR 79 -3.742 -13.775 1.936 576 HG23 THR 79 2HG2 THR 79 -2.680 -13.458 0.564 577 H LEU 80 H LEU 80 0.840 -11.501 0.773 578 HA LEU 80 HA LEU 80 0.508 -9.670 3.021 579 HB2 LEU 80 1HB LEU 80 2.340 -9.808 0.690 580 HB3 LEU 80 2HB LEU 80 1.958 -8.221 1.329 581 HG LEU 80 HG LEU 80 2.787 -8.905 3.538 582 HD11 LEU 80 1HD1 LEU 80 3.525 -11.485 2.169 583 HD12 LEU 80 2HD1 LEU 80 2.321 -11.281 3.441 584 HD13 LEU 80 3HD1 LEU 80 4.027 -11.001 3.789 585 HD21 LEU 80 3HD2 LEU 80 4.292 -7.824 1.963 586 HD22 LEU 80 1HD2 LEU 80 4.738 -9.395 1.298 587 HD23 LEU 80 2HD2 LEU 80 5.153 -8.992 2.965 588 H THR 81 H THR 81 -1.108 -8.349 3.064 589 HA THR 81 HA THR 81 -2.412 -7.622 0.527 590 HB THR 81 HB THR 81 -3.697 -7.713 3.262 591 HG1 THR 81 HG1 THR 81 -2.952 -9.800 2.336 592 HG21 THR 81 3HG2 THR 81 -5.793 -7.667 1.982 593 HG22 THR 81 1HG2 THR 81 -4.874 -7.557 0.480 594 HG23 THR 81 2HG2 THR 81 -4.811 -6.241 1.653 595 H VAL 82 H VAL 82 -2.098 -5.574 -0.023 596 HA VAL 82 HA VAL 82 -1.456 -3.593 2.020 597 HB VAL 82 HB VAL 82 -1.630 -3.239 -0.980 598 HG11 VAL 82 1HG1 VAL 82 -0.450 -1.464 1.155 599 HG12 VAL 82 2HG1 VAL 82 -1.923 -1.152 0.237 600 HG13 VAL 82 3HG1 VAL 82 -0.362 -1.179 -0.584 601 HG21 VAL 82 3HG2 VAL 82 0.826 -3.294 -0.942 602 HG22 VAL 82 1HG2 VAL 82 0.126 -4.821 -0.402 603 HG23 VAL 82 2HG2 VAL 82 0.783 -3.685 0.777 604 H ASN 83 H ASN 83 -3.265 -3.043 3.116 605 HA ASN 83 HA ASN 83 -5.658 -2.342 1.569 606 HB2 ASN 83 1HB ASN 83 -5.885 -3.817 3.588 607 HB3 ASN 83 2HB ASN 83 -5.341 -2.464 4.578 608 HD21 ASN 83 2HD2 ASN 83 -7.928 -3.775 2.683 609 HD22 ASN 83 1HD2 ASN 83 -9.142 -2.644 3.178 610 H VAL 84 H VAL 84 -5.900 -0.313 0.966 611 HA VAL 84 HA VAL 84 -4.203 1.723 2.105 612 HB VAL 84 HB VAL 84 -6.205 1.849 -0.142 613 HG11 VAL 84 1HG1 VAL 84 -4.228 3.928 0.775 614 HG12 VAL 84 2HG1 VAL 84 -5.983 4.033 0.917 615 HG13 VAL 84 3HG1 VAL 84 -5.224 4.024 -0.678 616 HG21 VAL 84 3HG2 VAL 84 -4.215 0.462 -0.565 617 HG22 VAL 84 1HG2 VAL 84 -3.191 1.843 -0.173 618 HG23 VAL 84 2HG2 VAL 84 -4.252 1.904 -1.582 619 H ASP 85 H ASP 85 -4.754 2.483 3.951 620 HA ASP 85 HA ASP 85 -5.828 3.423 5.676 621 HB2 ASP 85 1HB ASP 85 -6.070 5.192 3.838 622 HB3 ASP 85 2HB ASP 85 -7.752 4.680 3.743 623 HA PRO 86 HA PRO 86 -8.946 0.126 6.059 624 HB2 PRO 86 1HB PRO 86 -8.198 0.625 8.893 625 HB3 PRO 86 2HB PRO 86 -8.324 -0.903 8.014 626 HG2 PRO 86 1HG PRO 86 -5.939 0.123 8.608 627 HG3 PRO 86 2HG PRO 86 -6.224 -0.669 7.046 628 HD2 PRO 86 1HD PRO 86 -6.077 2.249 7.691 629 HD3 PRO 86 2HD PRO 86 -5.440 1.372 6.284 630 H GLU 87 H GLU 87 -8.582 3.172 7.774 631 HA GLU 87 HA GLU 87 -11.234 3.288 8.815 632 HB2 GLU 87 1HB GLU 87 -9.305 5.544 8.225 633 HB3 GLU 87 2HB GLU 87 -10.733 5.650 9.241 634 HG2 GLU 87 1HG GLU 87 -9.746 4.079 10.814 635 HG3 GLU 87 2HG GLU 87 -8.319 3.938 9.787 636 H ASN 88 H ASN 88 -9.757 3.956 5.795 637 HA ASN 88 HA ASN 88 -10.437 4.769 3.807 638 HB2 ASN 88 1HB ASN 88 -12.193 2.910 4.338 639 HB3 ASN 88 2HB ASN 88 -13.297 4.263 4.565 640 HD21 ASN 88 2HD2 ASN 88 -10.639 4.158 2.270 641 HD22 ASN 88 1HD2 ASN 88 -11.613 4.185 0.846 642 H ALA 89 H ALA 89 -9.936 6.654 5.651 643 HA ALA 89 HA ALA 89 -12.000 8.543 6.091 644 HB1 ALA 89 3HB ALA 89 -9.019 9.000 5.977 645 HB2 ALA 89 1HB ALA 89 -9.920 8.472 7.398 646 HB3 ALA 89 2HB ALA 89 -10.214 10.070 6.712 647 H VAL 90 H VAL 90 -9.746 8.008 3.485 648 HA VAL 90 HA VAL 90 -10.619 10.378 2.051 649 HB VAL 90 HB VAL 90 -8.825 8.126 1.109 650 HG11 VAL 90 1HG1 VAL 90 -8.112 9.723 -0.613 651 HG12 VAL 90 2HG1 VAL 90 -9.300 10.883 -0.019 652 HG13 VAL 90 3HG1 VAL 90 -9.834 9.359 -0.729 653 HG21 VAL 90 3HG2 VAL 90 -7.836 9.246 3.022 654 HG22 VAL 90 1HG2 VAL 90 -8.108 10.818 2.270 655 HG23 VAL 90 2HG2 VAL 90 -6.968 9.682 1.550 656 H ASN 91 H ASN 91 -12.354 10.386 0.780 657 HA ASN 91 HA ASN 91 -13.794 7.953 0.259 658 HB2 ASN 91 1HB ASN 91 -14.286 10.823 -0.556 659 HB3 ASN 91 2HB ASN 91 -15.347 9.496 -1.019 660 HD21 ASN 91 2HD2 ASN 91 -17.094 10.301 0.104 661 HD22 ASN 91 1HD2 ASN 91 -17.169 10.294 1.837 662 H GLU 92 H GLU 92 -13.841 6.778 -1.561 663 HA GLU 92 HA GLU 92 -12.098 7.696 -3.753 664 HB2 GLU 92 1HB GLU 92 -12.318 4.896 -2.641 665 HB3 GLU 92 2HB GLU 92 -11.312 5.391 -3.995 666 HG2 GLU 92 1HG GLU 92 -10.007 6.820 -2.520 667 HG3 GLU 92 2HG GLU 92 -11.026 6.350 -1.159 668 H GLY 93 H GLY 93 -12.469 6.725 -5.807 669 HA2 GLY 93 1HA GLY 93 -15.099 6.474 -6.710 670 HA3 GLY 93 2HA GLY 93 -13.678 5.883 -7.556 671 H ASN 94 H ASN 94 -13.277 3.758 -7.632 672 HA ASN 94 HA ASN 94 -15.238 1.838 -7.049 673 HB2 ASN 94 1HB ASN 94 -13.354 1.603 -8.690 674 HB3 ASN 94 2HB ASN 94 -12.251 1.400 -7.337 675 HD21 ASN 94 2HD2 ASN 94 -15.505 0.060 -7.575 676 HD22 ASN 94 1HD2 ASN 94 -15.001 -1.594 -7.617 677 H GLU 95 H GLU 95 -15.190 0.108 -5.416 678 HA GLU 95 HA GLU 95 -14.021 1.069 -2.895 679 HB2 GLU 95 1HB GLU 95 -16.127 -1.056 -3.311 680 HB3 GLU 95 2HB GLU 95 -15.623 -0.371 -1.773 681 HG2 GLU 95 1HG GLU 95 -16.467 1.820 -2.496 682 HG3 GLU 95 2HG GLU 95 -17.024 1.089 -4.000 683 H SER 96 H SER 96 -13.836 -1.474 -5.208 684 HA SER 96 HA SER 96 -12.308 -3.184 -3.396 685 HB2 SER 96 1HB SER 96 -12.500 -4.781 -5.420 686 HB3 SER 96 2HB SER 96 -13.968 -4.427 -4.508 687 HG SER 96 HG SER 96 -13.366 -3.893 -7.110 688 H ASN 97 H ASN 97 -11.374 -0.637 -4.678 689 HA ASN 97 HA ASN 97 -9.269 -1.566 -6.489 690 HB2 ASN 97 1HB ASN 97 -8.894 0.827 -6.934 691 HB3 ASN 97 2HB ASN 97 -10.590 0.408 -7.164 692 HD21 ASN 97 2HD2 ASN 97 -9.319 3.000 -6.545 693 HD22 ASN 97 1HD2 ASN 97 -10.055 3.535 -5.069 694 H ASN 98 H ASN 98 -9.760 -0.250 -3.299 695 HA ASN 98 HA ASN 98 -7.033 0.638 -3.007 696 HB2 ASN 98 1HB ASN 98 -7.732 1.628 -0.976 697 HB3 ASN 98 2HB ASN 98 -9.083 1.820 -2.080 698 HD21 ASN 98 2HD2 ASN 98 -8.987 1.823 0.832 699 HD22 ASN 98 1HD2 ASN 98 -10.085 0.588 1.347 700 H THR 99 H THR 99 -8.104 -2.341 -3.025 701 HA THR 99 HA THR 99 -6.415 -3.173 -0.758 702 HB THR 99 HB THR 99 -8.427 -5.003 -1.998 703 HG1 THR 99 HG1 THR 99 -9.066 -2.692 -0.835 704 HG21 THR 99 3HG2 THR 99 -6.801 -5.913 -0.408 705 HG22 THR 99 1HG2 THR 99 -8.439 -5.992 0.241 706 HG23 THR 99 2HG2 THR 99 -7.328 -4.741 0.801 707 H LEU 100 H LEU 100 -4.962 -4.841 -1.115 708 HA LEU 100 HA LEU 100 -4.653 -5.899 -3.809 709 HB2 LEU 100 1HB LEU 100 -3.270 -3.891 -3.845 710 HB3 LEU 100 2HB LEU 100 -2.469 -4.391 -2.368 711 HG LEU 100 HG LEU 100 -1.615 -6.404 -3.616 712 HD11 LEU 100 1HD1 LEU 100 -1.596 -6.302 -6.053 713 HD12 LEU 100 2HD1 LEU 100 -2.619 -4.866 -6.006 714 HD13 LEU 100 3HD1 LEU 100 -3.242 -6.412 -5.429 715 HD21 LEU 100 3HD2 LEU 100 0.153 -5.163 -4.752 716 HD22 LEU 100 1HD2 LEU 100 -0.211 -4.478 -3.169 717 HD23 LEU 100 2HD2 LEU 100 -0.805 -3.687 -4.629 718 H THR 101 H THR 101 -5.020 -7.939 -3.151 719 HA THR 101 HA THR 101 -3.480 -9.059 -0.940 720 HB THR 101 HB THR 101 -5.419 -10.528 -2.731 721 HG1 THR 101 HG1 THR 101 -6.480 -8.708 -1.833 722 HG21 THR 101 3HG2 THR 101 -4.536 -10.982 0.124 723 HG22 THR 101 1HG2 THR 101 -4.016 -11.915 -1.280 724 HG23 THR 101 2HG2 THR 101 -5.701 -11.965 -0.763 725 H ALA 102 H ALA 102 -1.411 -9.506 -1.503 726 HA ALA 102 HA ALA 102 -0.991 -10.964 -4.028 727 HB1 ALA 102 3HB ALA 102 0.813 -8.848 -2.868 728 HB2 ALA 102 1HB ALA 102 -0.239 -8.654 -4.269 729 HB3 ALA 102 2HB ALA 102 1.118 -9.781 -4.333 730 H LEU 103 H LEU 103 0.289 -12.717 -3.951 731 HA LEU 103 HA LEU 103 1.305 -13.533 -1.345 732 HB2 LEU 103 1HB LEU 103 1.117 -14.962 -3.993 733 HB3 LEU 103 2HB LEU 103 1.908 -15.648 -2.588 734 HG LEU 103 HG LEU 103 -1.003 -14.886 -2.755 735 HD11 LEU 103 1HD1 LEU 103 -0.469 -16.839 -4.107 736 HD12 LEU 103 2HD1 LEU 103 -1.389 -17.303 -2.675 737 HD13 LEU 103 3HD1 LEU 103 0.352 -17.577 -2.732 738 HD21 LEU 103 3HD2 LEU 103 -1.202 -16.000 -0.597 739 HD22 LEU 103 1HD2 LEU 103 -0.097 -14.630 -0.505 740 HD23 LEU 103 2HD2 LEU 103 0.541 -16.272 -0.570 741 H VAL 104 H VAL 104 3.310 -13.230 -0.762 742 HA VAL 104 HA VAL 104 5.314 -12.750 -2.862 743 HB VAL 104 HB VAL 104 6.678 -11.593 -1.210 744 HG11 VAL 104 1HG1 VAL 104 5.071 -10.282 -2.479 745 HG12 VAL 104 2HG1 VAL 104 5.274 -9.623 -0.855 746 HG13 VAL 104 3HG1 VAL 104 3.842 -10.573 -1.246 747 HG21 VAL 104 3HG2 VAL 104 5.730 -11.046 1.023 748 HG22 VAL 104 1HG2 VAL 104 6.108 -12.758 0.808 749 HG23 VAL 104 2HG2 VAL 104 4.437 -12.206 0.707 750 H GLY 105 H GLY 105 7.233 -13.910 -2.844 751 HA2 GLY 105 1HA GLY 105 7.003 -16.401 -1.293 752 HA3 GLY 105 2HA GLY 105 7.873 -16.217 -2.811 753 H THR 106 H THR 106 9.044 -17.418 -0.624 754 HA THR 106 HA THR 106 10.910 -15.425 0.389 755 HB THR 106 HB THR 106 11.967 -17.408 1.523 756 HG1 THR 106 HG1 THR 106 10.700 -18.852 -0.103 757 HG21 THR 106 3HG2 THR 106 9.050 -16.890 2.101 758 HG22 THR 106 1HG2 THR 106 10.410 -15.936 2.695 759 HG23 THR 106 2HG2 THR 106 10.208 -17.608 3.220 760 H LEU 107 H LEU 107 13.066 -15.338 -0.194 761 HA LEU 107 HA LEU 107 13.564 -15.782 -2.896 762 HB2 LEU 107 1HB LEU 107 14.719 -14.203 -1.166 763 HB3 LEU 107 2HB LEU 107 15.821 -15.552 -0.951 764 HG LEU 107 HG LEU 107 16.105 -15.475 -3.507 765 HD11 LEU 107 1HD1 LEU 107 14.221 -14.029 -3.990 766 HD12 LEU 107 2HD1 LEU 107 15.730 -13.293 -4.528 767 HD13 LEU 107 3HD1 LEU 107 14.955 -12.733 -3.046 768 HD21 LEU 107 3HD2 LEU 107 17.156 -13.223 -1.798 769 HD22 LEU 107 1HD2 LEU 107 17.842 -13.759 -3.331 770 HD23 LEU 107 2HD2 LEU 107 17.856 -14.836 -1.934 771 H GLU 108 H GLU 108 14.402 -17.354 -4.041 772 HA GLU 108 HA GLU 108 14.419 -19.987 -3.278 773 HB2 GLU 108 1HB GLU 108 15.907 -18.561 -5.476 774 HB3 GLU 108 2HB GLU 108 15.882 -20.312 -5.329 775 HG2 GLU 108 1HG GLU 108 13.350 -18.724 -5.478 776 HG3 GLU 108 2HG GLU 108 14.233 -19.200 -6.929 777 H HIS 109 H HIS 109 17.084 -17.681 -3.159 778 HA HIS 109 HA HIS 109 18.846 -19.843 -2.271 779 HB2 HIS 109 1HB HIS 109 19.414 -17.195 -3.567 780 HB3 HIS 109 2HB HIS 109 20.675 -18.089 -2.721 781 HD1 HIS 109 HD1 HIS 109 18.605 -18.119 -5.823 782 HD2 HIS 109 HD2 HIS 109 21.506 -20.459 -3.978 783 HE1 HIS 109 HE1 HIS 109 19.337 -19.790 -7.558 784 HE2 HIS 109 HE2 HIS 109 21.195 -21.101 -6.463 785 H HIS 110 H HIS 110 18.173 -19.917 -0.121 786 HA HIS 110 HA HIS 110 18.610 -17.909 1.784 787 HB2 HIS 110 1HB HIS 110 17.717 -20.260 2.192 788 HB3 HIS 110 2HB HIS 110 19.369 -20.839 2.049 789 HD1 HIS 110 HD1 HIS 110 16.982 -19.300 4.419 790 HD2 HIS 110 HD2 HIS 110 21.067 -20.097 4.236 791 HE1 HIS 110 HE1 HIS 110 17.827 -19.094 6.781 792 HE2 HIS 110 HE2 HIS 110 20.286 -19.632 6.665 793 H HIS 111 H HIS 111 20.556 -17.112 2.716 794 HA HIS 111 HA HIS 111 22.499 -16.539 0.884 795 HB2 HIS 111 1HB HIS 111 22.026 -15.652 3.360 796 HB3 HIS 111 2HB HIS 111 23.436 -16.653 3.700 797 HD1 HIS 111 HD1 HIS 111 25.660 -15.610 3.255 798 HD2 HIS 111 HD2 HIS 111 22.561 -13.641 1.293 799 HE1 HIS 111 HE1 HIS 111 26.699 -13.568 2.210 800 HE2 HIS 111 HE2 HIS 111 24.830 -12.464 0.920 801 H HIS 112 H HIS 112 22.920 -18.945 3.501 802 HA HIS 112 HA HIS 112 24.670 -20.397 1.626 803 HB2 HIS 112 1HB HIS 112 24.710 -20.160 4.601 804 HB3 HIS 112 2HB HIS 112 25.212 -21.689 3.886 805 HD1 HIS 112 HD1 HIS 112 27.528 -20.827 5.109 806 HD2 HIS 112 HD2 HIS 112 26.350 -18.921 1.606 807 HE1 HIS 112 HE1 HIS 112 29.588 -19.675 4.235 808 HE2 HIS 112 HE2 HIS 112 28.897 -18.726 2.003 809 H HIS 113 H HIS 113 23.484 -21.826 0.561 810 HA HIS 113 HA HIS 113 21.325 -23.213 2.004 811 HB2 HIS 113 1HB HIS 113 20.612 -21.904 0.037 812 HB3 HIS 113 2HB HIS 113 21.709 -22.832 -0.977 813 HD1 HIS 113 HD1 HIS 113 20.931 -25.137 -1.761 814 HD2 HIS 113 HD2 HIS 113 18.295 -23.320 0.899 815 HE1 HIS 113 HE1 HIS 113 18.831 -26.518 -1.834 816 HE2 HIS 113 HE2 HIS 113 17.303 -25.489 -0.114 817 H HIS 114 H HIS 114 21.311 -25.391 2.163 818 HA HIS 114 HA HIS 114 23.681 -26.837 1.329 819 HB2 HIS 114 1HB HIS 114 22.722 -27.296 3.538 820 HB3 HIS 114 2HB HIS 114 21.200 -27.774 2.795 821 HD1 HIS 114 HD1 HIS 114 21.016 -30.159 1.926 822 HD2 HIS 114 HD2 HIS 114 24.856 -29.156 3.172 823 HE1 HIS 114 HE1 HIS 114 22.307 -32.317 1.948 824 HE2 HIS 114 HE2 HIS 114 24.594 -31.710 2.827 Start of MODEL 17 1 H1 MET 1 1H MET 1 -15.904 15.905 -8.190 2 H2 MET 1 2H MET 1 -15.330 16.124 -6.609 3 H3 MET 1 3H MET 1 -16.218 14.737 -7.004 4 HA MET 1 HA MET 1 -14.467 14.060 -8.547 5 HB2 MET 1 1HB MET 1 -13.170 16.538 -7.425 6 HB3 MET 1 2HB MET 1 -12.215 15.225 -8.098 7 HG2 MET 1 1HG MET 1 -13.418 15.476 -10.230 8 HG3 MET 1 2HG MET 1 -14.301 16.840 -9.546 9 HE1 MET 1 3HE MET 1 -13.401 18.078 -11.844 10 HE2 MET 1 1HE MET 1 -12.396 16.690 -12.259 11 HE3 MET 1 2HE MET 1 -11.686 18.305 -12.190 12 H ILE 2 H ILE 2 -13.762 12.258 -7.720 13 HA ILE 2 HA ILE 2 -12.914 12.206 -4.898 14 HB ILE 2 HB ILE 2 -15.197 11.092 -5.682 15 HG12 ILE 2 1HG1 ILE 2 -14.916 9.373 -3.887 16 HG13 ILE 2 2HG1 ILE 2 -13.212 9.809 -3.807 17 HG21 ILE 2 1HG2 ILE 2 -14.951 8.708 -6.178 18 HG22 ILE 2 2HG2 ILE 2 -13.204 8.920 -6.291 19 HG23 ILE 2 3HG2 ILE 2 -14.266 9.725 -7.446 20 HD11 ILE 2 3HD1 ILE 2 -14.488 10.901 -2.052 21 HD12 ILE 2 1HD1 ILE 2 -15.531 11.648 -3.262 22 HD13 ILE 2 2HD1 ILE 2 -13.825 12.086 -3.179 23 HA PRO 3 HA PRO 3 -9.169 10.449 -6.563 24 HB2 PRO 3 1HB PRO 3 -8.747 9.052 -4.027 25 HB3 PRO 3 2HB PRO 3 -7.825 10.378 -4.738 26 HG2 PRO 3 1HG PRO 3 -9.372 10.708 -2.550 27 HG3 PRO 3 2HG PRO 3 -9.131 11.994 -3.749 28 HD2 PRO 3 1HD PRO 3 -11.454 10.131 -3.409 29 HD3 PRO 3 2HD PRO 3 -11.449 11.874 -3.760 30 H ASP 4 H ASP 4 -7.993 8.261 -6.612 31 HA ASP 4 HA ASP 4 -9.693 5.950 -6.197 32 HB2 ASP 4 1HB ASP 4 -10.204 6.744 -8.520 33 HB3 ASP 4 2HB ASP 4 -8.510 6.512 -8.926 34 H LEU 5 H LEU 5 -8.099 5.743 -4.577 35 HA LEU 5 HA LEU 5 -5.321 5.478 -5.216 36 HB2 LEU 5 1HB LEU 5 -6.813 4.683 -2.715 37 HB3 LEU 5 2HB LEU 5 -5.073 4.835 -2.869 38 HG LEU 5 HG LEU 5 -7.059 7.096 -3.114 39 HD11 LEU 5 1HD1 LEU 5 -5.099 6.415 -0.928 40 HD12 LEU 5 2HD1 LEU 5 -6.856 6.286 -0.830 41 HD13 LEU 5 3HD1 LEU 5 -6.096 7.868 -1.004 42 HD21 LEU 5 3HD2 LEU 5 -4.050 7.154 -3.096 43 HD22 LEU 5 1HD2 LEU 5 -5.124 8.547 -3.190 44 HD23 LEU 5 2HD2 LEU 5 -5.064 7.389 -4.520 45 H VAL 6 H VAL 6 -4.590 3.835 -6.324 46 HA VAL 6 HA VAL 6 -5.658 1.148 -5.754 47 HB VAL 6 HB VAL 6 -4.440 2.067 -8.367 48 HG11 VAL 6 1HG1 VAL 6 -5.378 -0.019 -9.250 49 HG12 VAL 6 2HG1 VAL 6 -5.944 -0.443 -7.634 50 HG13 VAL 6 3HG1 VAL 6 -4.215 -0.318 -7.958 51 HG21 VAL 6 3HG2 VAL 6 -7.355 1.702 -7.674 52 HG22 VAL 6 1HG2 VAL 6 -6.711 2.063 -9.275 53 HG23 VAL 6 2HG2 VAL 6 -6.547 3.242 -7.971 54 HA PRO 7 HA PRO 7 -1.342 0.393 -4.725 55 HB2 PRO 7 1HB PRO 7 -2.154 -2.267 -3.972 56 HB3 PRO 7 2HB PRO 7 -1.611 -0.956 -2.931 57 HG2 PRO 7 1HG PRO 7 -4.181 -1.944 -2.978 58 HG3 PRO 7 2HG PRO 7 -3.733 -0.327 -2.411 59 HD2 PRO 7 1HD PRO 7 -4.935 -1.164 -5.005 60 HD3 PRO 7 2HD PRO 7 -5.188 0.322 -4.066 61 H VAL 8 H VAL 8 -0.136 0.035 -6.449 62 HA VAL 8 HA VAL 8 -1.215 -1.428 -8.683 63 HB VAL 8 HB VAL 8 1.518 -0.173 -8.540 64 HG11 VAL 8 1HG1 VAL 8 -0.410 -0.621 -10.809 65 HG12 VAL 8 2HG1 VAL 8 1.076 -1.524 -10.504 66 HG13 VAL 8 3HG1 VAL 8 1.153 0.186 -10.936 67 HG21 VAL 8 3HG2 VAL 8 0.500 1.906 -9.352 68 HG22 VAL 8 1HG2 VAL 8 -0.055 1.481 -7.732 69 HG23 VAL 8 2HG2 VAL 8 -1.100 1.199 -9.125 70 H SER 9 H SER 9 1.840 -1.597 -6.845 71 HA SER 9 HA SER 9 1.946 -4.460 -7.352 72 HB2 SER 9 1HB SER 9 3.101 -3.416 -9.269 73 HB3 SER 9 2HB SER 9 4.187 -2.588 -8.156 74 HG SER 9 HG SER 9 5.345 -4.332 -8.526 75 H LEU 10 H LEU 10 3.876 -5.428 -6.216 76 HA LEU 10 HA LEU 10 4.585 -3.983 -3.773 77 HB2 LEU 10 1HB LEU 10 2.615 -5.223 -3.166 78 HB3 LEU 10 2HB LEU 10 3.238 -6.678 -3.916 79 HG LEU 10 HG LEU 10 5.004 -6.792 -2.191 80 HD11 LEU 10 1HD1 LEU 10 3.539 -4.466 -0.953 81 HD12 LEU 10 2HD1 LEU 10 5.160 -4.419 -1.648 82 HD13 LEU 10 3HD1 LEU 10 4.846 -5.386 -0.206 83 HD21 LEU 10 3HD2 LEU 10 2.190 -6.624 -1.129 84 HD22 LEU 10 1HD2 LEU 10 3.535 -7.466 -0.361 85 HD23 LEU 10 2HD2 LEU 10 2.922 -8.020 -1.919 86 H THR 11 H THR 11 6.715 -4.015 -3.705 87 HA THR 11 HA THR 11 8.134 -6.475 -4.491 88 HB THR 11 HB THR 11 10.040 -4.784 -5.069 89 HG1 THR 11 HG1 THR 11 9.455 -2.753 -5.008 90 HG21 THR 11 3HG2 THR 11 8.951 -6.241 -6.705 91 HG22 THR 11 1HG2 THR 11 9.245 -4.639 -7.385 92 HG23 THR 11 2HG2 THR 11 7.623 -5.089 -6.857 93 HA PRO 12 HA PRO 12 10.530 -6.758 -4.593 94 HB2 PRO 12 1HB PRO 12 11.939 -8.656 -3.277 95 HB3 PRO 12 2HB PRO 12 12.556 -7.017 -3.522 96 HG2 PRO 12 1HG PRO 12 11.256 -8.209 -1.102 97 HG3 PRO 12 2HG PRO 12 12.683 -7.161 -1.202 98 HD2 PRO 12 1HD PRO 12 10.220 -6.235 -0.542 99 HD3 PRO 12 2HD PRO 12 11.421 -5.249 -1.399 100 H VAL 13 H VAL 13 10.166 -8.898 -5.455 101 HA VAL 13 HA VAL 13 7.652 -9.976 -4.551 102 HB VAL 13 HB VAL 13 7.770 -11.463 -6.475 103 HG11 VAL 13 1HG1 VAL 13 7.814 -9.777 -8.247 104 HG12 VAL 13 2HG1 VAL 13 8.607 -8.648 -7.149 105 HG13 VAL 13 3HG1 VAL 13 6.965 -9.193 -6.815 106 HG21 VAL 13 3HG2 VAL 13 10.533 -10.332 -6.919 107 HG22 VAL 13 1HG2 VAL 13 9.663 -11.384 -8.036 108 HG23 VAL 13 2HG2 VAL 13 10.146 -11.988 -6.451 109 H THR 14 H THR 14 10.975 -10.676 -4.122 110 HA THR 14 HA THR 14 10.256 -13.053 -2.580 111 HB THR 14 HB THR 14 12.678 -13.694 -2.989 112 HG1 THR 14 HG1 THR 14 13.141 -11.505 -3.873 113 HG21 THR 14 3HG2 THR 14 10.841 -14.862 -4.085 114 HG22 THR 14 1HG2 THR 14 12.212 -14.698 -5.181 115 HG23 THR 14 2HG2 THR 14 10.814 -13.637 -5.353 116 H VAL 15 H VAL 15 10.813 -12.985 -0.464 117 HA VAL 15 HA VAL 15 12.404 -10.666 0.430 118 HB VAL 15 HB VAL 15 11.173 -10.854 2.581 119 HG11 VAL 15 1HG1 VAL 15 10.455 -9.264 0.884 120 HG12 VAL 15 2HG1 VAL 15 9.064 -9.916 1.751 121 HG13 VAL 15 3HG1 VAL 15 9.447 -10.501 0.132 122 HG21 VAL 15 3HG2 VAL 15 9.123 -12.200 2.672 123 HG22 VAL 15 1HG2 VAL 15 10.550 -13.213 2.454 124 HG23 VAL 15 2HG2 VAL 15 9.495 -12.871 1.085 125 H VAL 16 H VAL 16 13.908 -10.945 2.114 126 HA VAL 16 HA VAL 16 15.016 -13.645 2.131 127 HB VAL 16 HB VAL 16 16.251 -11.154 3.307 128 HG11 VAL 16 1HG1 VAL 16 17.461 -13.765 2.409 129 HG12 VAL 16 2HG1 VAL 16 17.221 -13.246 4.077 130 HG13 VAL 16 3HG1 VAL 16 18.350 -12.377 3.038 131 HG21 VAL 16 3HG2 VAL 16 17.516 -10.942 1.218 132 HG22 VAL 16 1HG2 VAL 16 15.784 -10.742 0.957 133 HG23 VAL 16 2HG2 VAL 16 16.573 -12.256 0.518 134 HA PRO 17 HA PRO 17 13.420 -14.096 6.340 135 HB2 PRO 17 1HB PRO 17 14.334 -16.844 6.115 136 HB3 PRO 17 2HB PRO 17 12.684 -16.240 6.278 137 HG2 PRO 17 1HG PRO 17 13.642 -17.406 4.006 138 HG3 PRO 17 2HG PRO 17 12.335 -16.209 4.019 139 HD2 PRO 17 1HD PRO 17 15.226 -15.855 3.343 140 HD3 PRO 17 2HD PRO 17 13.791 -15.121 2.594 141 H ASN 18 H ASN 18 14.935 -12.989 7.479 142 HA ASN 18 HA ASN 18 17.261 -14.156 8.533 143 HB2 ASN 18 1HB ASN 18 17.966 -14.014 6.134 144 HB3 ASN 18 2HB ASN 18 17.736 -12.274 6.202 145 HD21 ASN 18 2HD2 ASN 18 20.084 -13.859 5.593 146 HD22 ASN 18 1HD2 ASN 18 21.314 -13.350 6.696 147 H THR 19 H THR 19 15.841 -11.187 7.288 148 HA THR 19 HA THR 19 16.205 -9.880 9.855 149 HB THR 19 HB THR 19 18.302 -9.451 8.569 150 HG1 THR 19 HG1 THR 19 18.192 -7.719 9.753 151 HG21 THR 19 3HG2 THR 19 17.362 -9.474 6.312 152 HG22 THR 19 1HG2 THR 19 18.230 -7.969 6.619 153 HG23 THR 19 2HG2 THR 19 16.467 -7.996 6.662 154 H VAL 20 H VAL 20 15.498 -7.338 9.199 155 HA VAL 20 HA VAL 20 12.728 -7.612 8.445 156 HB VAL 20 HB VAL 20 14.276 -5.071 9.004 157 HG11 VAL 20 1HG1 VAL 20 12.207 -4.664 7.808 158 HG12 VAL 20 2HG1 VAL 20 12.051 -4.126 9.481 159 HG13 VAL 20 3HG1 VAL 20 11.313 -5.647 8.971 160 HG21 VAL 20 3HG2 VAL 20 14.382 -6.576 10.919 161 HG22 VAL 20 1HG2 VAL 20 12.627 -6.755 10.883 162 HG23 VAL 20 2HG2 VAL 20 13.346 -5.189 11.261 163 H ASN 21 H ASN 21 11.887 -7.271 6.508 164 HA ASN 21 HA ASN 21 13.670 -6.307 4.383 165 HB2 ASN 21 1HB ASN 21 11.203 -8.049 4.334 166 HB3 ASN 21 2HB ASN 21 11.884 -7.339 2.873 167 HD21 ASN 21 2HD2 ASN 21 12.504 -9.535 5.531 168 HD22 ASN 21 1HD2 ASN 21 13.734 -10.455 4.738 169 H THR 22 H THR 22 13.323 -4.362 3.557 170 HA THR 22 HA THR 22 11.034 -2.827 4.399 171 HB THR 22 HB THR 22 13.049 -1.949 2.336 172 HG1 THR 22 HG1 THR 22 13.462 -2.567 4.992 173 HG21 THR 22 3HG2 THR 22 11.502 -0.467 4.468 174 HG22 THR 22 1HG2 THR 22 11.115 -0.493 2.748 175 HG23 THR 22 2HG2 THR 22 12.611 0.259 3.304 176 H MET 23 H MET 23 9.157 -3.323 3.453 177 HA MET 23 HA MET 23 9.128 -4.336 0.728 178 HB2 MET 23 1HB MET 23 6.884 -4.013 2.725 179 HB3 MET 23 2HB MET 23 6.744 -4.796 1.159 180 HG2 MET 23 1HG MET 23 8.471 -5.698 3.449 181 HG3 MET 23 2HG MET 23 6.954 -6.431 2.933 182 HE1 MET 23 3HE MET 23 7.902 -7.878 -0.581 183 HE2 MET 23 1HE MET 23 7.201 -6.294 -0.244 184 HE3 MET 23 2HE MET 23 6.635 -7.714 0.635 185 H THR 24 H THR 24 8.401 -3.300 -0.997 186 HA THR 24 HA THR 24 7.627 -0.489 -0.652 187 HB THR 24 HB THR 24 8.752 -1.872 -3.097 188 HG1 THR 24 HG1 THR 24 10.241 0.060 -1.749 189 HG21 THR 24 3HG2 THR 24 7.401 0.081 -3.650 190 HG22 THR 24 1HG2 THR 24 9.110 0.415 -3.926 191 HG23 THR 24 2HG2 THR 24 8.306 1.055 -2.492 192 H ALA 25 H ALA 25 5.475 -0.309 -0.684 193 HA ALA 25 HA ALA 25 3.960 -1.808 -2.704 194 HB1 ALA 25 3HB ALA 25 1.963 -1.155 -1.459 195 HB2 ALA 25 1HB ALA 25 2.956 -0.215 -0.345 196 HB3 ALA 25 2HB ALA 25 3.122 -1.969 -0.408 197 H THR 26 H THR 26 3.741 -0.773 -4.564 198 HA THR 26 HA THR 26 4.057 2.097 -4.706 199 HB THR 26 HB THR 26 3.421 0.178 -6.959 200 HG1 THR 26 HG1 THR 26 6.000 1.126 -6.188 201 HG21 THR 26 3HG2 THR 26 4.446 1.900 -8.367 202 HG22 THR 26 1HG2 THR 26 4.705 2.913 -6.948 203 HG23 THR 26 2HG2 THR 26 3.064 2.547 -7.482 204 H ILE 27 H ILE 27 2.330 3.249 -4.077 205 HA ILE 27 HA ILE 27 -0.354 2.333 -4.841 206 HB ILE 27 HB ILE 27 0.308 4.643 -3.013 207 HG12 ILE 27 1HG1 ILE 27 1.357 2.643 -2.079 208 HG13 ILE 27 2HG1 ILE 27 -0.042 3.104 -1.116 209 HG21 ILE 27 1HG2 ILE 27 -1.957 4.607 -3.886 210 HG22 ILE 27 2HG2 ILE 27 -1.956 4.249 -2.159 211 HG23 ILE 27 3HG2 ILE 27 -2.165 2.946 -3.330 212 HD11 ILE 27 3HD1 ILE 27 0.101 0.696 -1.410 213 HD12 ILE 27 1HD1 ILE 27 0.036 0.898 -3.162 214 HD13 ILE 27 2HD1 ILE 27 -1.353 1.345 -2.170 215 H GLU 28 H GLU 28 -1.289 3.241 -6.573 216 HA GLU 28 HA GLU 28 -0.280 5.872 -7.448 217 HB2 GLU 28 1HB GLU 28 0.084 3.853 -8.960 218 HB3 GLU 28 2HB GLU 28 -1.659 3.831 -9.190 219 HG2 GLU 28 1HG GLU 28 -1.537 6.131 -10.065 220 HG3 GLU 28 2HG GLU 28 0.218 6.066 -9.910 221 H ASN 29 H ASN 29 -1.704 7.511 -7.671 222 HA ASN 29 HA ASN 29 -4.489 6.955 -6.965 223 HB2 ASN 29 1HB ASN 29 -3.393 8.756 -5.728 224 HB3 ASN 29 2HB ASN 29 -3.031 9.593 -7.234 225 HD21 ASN 29 2HD2 ASN 29 -4.154 11.400 -6.463 226 HD22 ASN 29 1HD2 ASN 29 -5.886 11.456 -6.448 227 H GLN 30 H GLN 30 -5.731 6.431 -8.592 228 HA GLN 30 HA GLN 30 -5.289 7.741 -11.197 229 HB2 GLN 30 1HB GLN 30 -6.569 5.050 -10.689 230 HB3 GLN 30 2HB GLN 30 -6.116 5.731 -12.246 231 HG2 GLN 30 1HG GLN 30 -3.763 5.611 -11.624 232 HG3 GLN 30 2HG GLN 30 -4.208 4.946 -10.054 233 HE21 GLN 30 2HE2 GLN 30 -2.535 3.807 -12.126 234 HE22 GLN 30 1HE2 GLN 30 -3.261 2.291 -12.551 235 H GLY 31 H GLY 31 -6.744 9.315 -9.742 236 HA2 GLY 31 1HA GLY 31 -9.513 8.812 -10.553 237 HA3 GLY 31 2HA GLY 31 -9.187 9.082 -8.848 238 H ASN 32 H ASN 32 -10.668 10.908 -9.080 239 HA ASN 32 HA ASN 32 -9.834 13.003 -10.942 240 HB2 ASN 32 1HB ASN 32 -12.364 12.497 -9.397 241 HB3 ASN 32 2HB ASN 32 -12.065 14.041 -10.182 242 HD21 ASN 32 2HD2 ASN 32 -10.986 10.997 -11.515 243 HD22 ASN 32 1HD2 ASN 32 -12.077 10.980 -12.856 244 H LYS 33 H LYS 33 -8.943 12.351 -7.892 245 HA LYS 33 HA LYS 33 -8.422 15.133 -7.322 246 HB2 LYS 33 1HB LYS 33 -10.737 14.680 -6.419 247 HB3 LYS 33 2HB LYS 33 -10.006 13.526 -5.312 248 HG2 LYS 33 1HG LYS 33 -8.722 15.284 -4.266 249 HG3 LYS 33 2HG LYS 33 -9.336 16.460 -5.430 250 HD2 LYS 33 1HD LYS 33 -11.633 15.979 -4.611 251 HD3 LYS 33 2HD LYS 33 -10.931 14.943 -3.368 252 HE2 LYS 33 1HE LYS 33 -10.308 17.873 -3.717 253 HE3 LYS 33 2HE LYS 33 -11.486 17.231 -2.575 254 HZ1 LYS 33 3HZ LYS 33 -9.714 16.023 -1.468 255 HZ2 LYS 33 1HZ LYS 33 -9.361 17.681 -1.519 256 HZ3 LYS 33 2HZ LYS 33 -8.577 16.621 -2.580 257 H ASP 34 H ASP 34 -6.769 15.436 -5.816 258 HA ASP 34 HA ASP 34 -4.995 13.237 -5.377 259 HB2 ASP 34 1HB ASP 34 -4.920 15.965 -4.063 260 HB3 ASP 34 2HB ASP 34 -3.581 14.836 -4.232 261 H SER 35 H SER 35 -4.480 12.231 -3.389 262 HA SER 35 HA SER 35 -6.692 12.303 -1.489 263 HB2 SER 35 1HB SER 35 -5.582 10.247 -0.558 264 HB3 SER 35 2HB SER 35 -6.099 10.101 -2.237 265 HG SER 35 HG SER 35 -4.072 9.365 -2.282 266 H THR 36 H THR 36 -6.411 12.612 0.721 267 HA THR 36 HA THR 36 -4.157 14.279 1.447 268 HB THR 36 HB THR 36 -5.406 14.504 3.619 269 HG1 THR 36 HG1 THR 36 -6.669 12.737 3.806 270 HG21 THR 36 3HG2 THR 36 -6.977 15.098 1.111 271 HG22 THR 36 1HG2 THR 36 -5.708 16.111 1.802 272 HG23 THR 36 2HG2 THR 36 -7.216 15.862 2.683 273 H SER 37 H SER 37 -4.070 13.524 4.245 274 HA SER 37 HA SER 37 -2.163 11.424 4.062 275 HB2 SER 37 1HB SER 37 -1.977 13.229 5.732 276 HB3 SER 37 2HB SER 37 -3.453 12.660 6.511 277 HG SER 37 HG SER 37 -2.409 10.797 7.110 278 H PHE 38 H PHE 38 -2.773 9.397 3.646 279 HA PHE 38 HA PHE 38 -5.084 8.350 5.140 280 HB2 PHE 38 1HB PHE 38 -5.521 6.794 3.308 281 HB3 PHE 38 2HB PHE 38 -5.585 8.455 2.741 282 HD1 PHE 38 HD2 PHE 38 -3.834 9.331 1.272 283 HD2 PHE 38 HD1 PHE 38 -3.868 5.262 2.518 284 HE1 PHE 38 HE2 PHE 38 -2.259 8.770 -0.532 285 HE2 PHE 38 HE1 PHE 38 -2.294 4.694 0.715 286 HZ PHE 38 HZ PHE 38 -1.487 6.448 -0.811 287 H ASN 39 H ASN 39 -4.871 6.401 6.138 288 HA ASN 39 HA ASN 39 -2.111 5.615 6.609 289 HB2 ASN 39 1HB ASN 39 -3.764 6.080 8.471 290 HB3 ASN 39 2HB ASN 39 -4.593 4.602 7.998 291 HD21 ASN 39 2HD2 ASN 39 -4.198 3.755 10.048 292 HD22 ASN 39 1HD2 ASN 39 -2.633 3.143 10.485 293 H VAL 40 H VAL 40 -1.227 3.772 5.862 294 HA VAL 40 HA VAL 40 -3.025 1.940 4.412 295 HB VAL 40 HB VAL 40 -1.176 3.520 3.239 296 HG11 VAL 40 1HG1 VAL 40 0.274 0.935 3.741 297 HG12 VAL 40 2HG1 VAL 40 0.724 2.528 4.352 298 HG13 VAL 40 3HG1 VAL 40 0.779 2.201 2.621 299 HG21 VAL 40 3HG2 VAL 40 -1.941 0.749 2.365 300 HG22 VAL 40 1HG2 VAL 40 -1.257 2.001 1.327 301 HG23 VAL 40 2HG2 VAL 40 -2.835 2.241 2.072 302 H SER 41 H SER 41 -2.760 -0.234 4.723 303 HA SER 41 HA SER 41 -0.836 -0.972 6.828 304 HB2 SER 41 1HB SER 41 -3.694 -1.933 6.558 305 HB3 SER 41 2HB SER 41 -2.557 -2.400 7.822 306 HG SER 41 HG SER 41 -3.055 0.322 7.422 307 H LEU 42 H LEU 42 0.324 -2.792 6.504 308 HA LEU 42 HA LEU 42 -0.287 -4.379 4.117 309 HB2 LEU 42 1HB LEU 42 2.007 -3.530 4.314 310 HB3 LEU 42 2HB LEU 42 2.183 -4.354 5.853 311 HG LEU 42 HG LEU 42 1.854 -6.527 4.675 312 HD11 LEU 42 1HD1 LEU 42 2.058 -6.588 2.244 313 HD12 LEU 42 2HD1 LEU 42 2.038 -4.825 2.195 314 HD13 LEU 42 3HD1 LEU 42 0.615 -5.707 2.748 315 HD21 LEU 42 3HD2 LEU 42 4.071 -6.583 3.646 316 HD22 LEU 42 1HD2 LEU 42 4.091 -5.732 5.191 317 HD23 LEU 42 2HD2 LEU 42 4.130 -4.820 3.681 318 H LEU 43 H LEU 43 -1.530 -6.057 4.436 319 HA LEU 43 HA LEU 43 -1.500 -7.416 7.023 320 HB2 LEU 43 1HB LEU 43 -3.354 -7.747 4.662 321 HB3 LEU 43 2HB LEU 43 -3.513 -8.570 6.201 322 HG LEU 43 HG LEU 43 -3.559 -6.049 7.086 323 HD11 LEU 43 1HD1 LEU 43 -4.870 -4.651 5.586 324 HD12 LEU 43 2HD1 LEU 43 -4.742 -5.879 4.327 325 HD13 LEU 43 3HD1 LEU 43 -3.296 -5.043 4.894 326 HD21 LEU 43 3HD2 LEU 43 -5.937 -7.446 5.886 327 HD22 LEU 43 1HD2 LEU 43 -5.953 -6.259 7.189 328 HD23 LEU 43 2HD2 LEU 43 -5.217 -7.847 7.446 329 H VAL 44 H VAL 44 -0.271 -9.135 7.268 330 HA VAL 44 HA VAL 44 0.353 -10.785 4.919 331 HB VAL 44 HB VAL 44 1.692 -10.665 7.632 332 HG11 VAL 44 1HG1 VAL 44 3.288 -12.300 6.750 333 HG12 VAL 44 2HG1 VAL 44 2.330 -12.443 5.275 334 HG13 VAL 44 3HG1 VAL 44 1.657 -12.969 6.819 335 HG21 VAL 44 3HG2 VAL 44 3.633 -9.898 6.349 336 HG22 VAL 44 1HG2 VAL 44 2.252 -8.817 6.146 337 HG23 VAL 44 2HG2 VAL 44 2.673 -9.962 4.869 338 H ASP 45 H ASP 45 -1.087 -12.301 4.641 339 HA ASP 45 HA ASP 45 -2.301 -14.188 4.970 340 HB2 ASP 45 1HB ASP 45 -0.471 -14.982 6.425 341 HB3 ASP 45 2HB ASP 45 -1.224 -14.171 7.794 342 H GLY 46 H GLY 46 -2.495 -12.514 8.091 343 HA2 GLY 46 1HA GLY 46 -5.149 -11.558 7.529 344 HA3 GLY 46 2HA GLY 46 -5.119 -12.874 8.693 345 H ILE 47 H ILE 47 -2.340 -10.894 8.757 346 HA ILE 47 HA ILE 47 -3.432 -9.299 10.979 347 HB ILE 47 HB ILE 47 -0.638 -10.408 11.053 348 HG12 ILE 47 1HG1 ILE 47 -3.058 -11.630 12.400 349 HG13 ILE 47 2HG1 ILE 47 -2.241 -12.315 11.000 350 HG21 ILE 47 1HG2 ILE 47 -0.824 -9.925 13.449 351 HG22 ILE 47 2HG2 ILE 47 -2.459 -9.315 13.187 352 HG23 ILE 47 3HG2 ILE 47 -1.082 -8.489 12.458 353 HD11 ILE 47 3HD1 ILE 47 -1.574 -13.437 13.044 354 HD12 ILE 47 1HD1 ILE 47 -1.032 -11.904 13.725 355 HD13 ILE 47 2HD1 ILE 47 -0.208 -12.586 12.323 356 H VAL 48 H VAL 48 -2.371 -7.291 11.293 357 HA VAL 48 HA VAL 48 -1.094 -6.291 8.860 358 HB VAL 48 HB VAL 48 -2.006 -4.703 11.267 359 HG11 VAL 48 1HG1 VAL 48 -0.348 -3.570 9.901 360 HG12 VAL 48 2HG1 VAL 48 -1.926 -2.804 9.719 361 HG13 VAL 48 3HG1 VAL 48 -1.312 -3.869 8.455 362 HG21 VAL 48 3HG2 VAL 48 -3.473 -5.220 8.683 363 HG22 VAL 48 1HG2 VAL 48 -3.994 -4.129 9.966 364 HG23 VAL 48 2HG2 VAL 48 -3.905 -5.865 10.265 365 H VAL 49 H VAL 49 1.008 -6.910 8.965 366 HA VAL 49 HA VAL 49 2.443 -7.085 11.419 367 HB VAL 49 HB VAL 49 4.409 -7.616 10.038 368 HG11 VAL 49 1HG1 VAL 49 3.522 -9.668 9.036 369 HG12 VAL 49 2HG1 VAL 49 1.884 -9.035 9.196 370 HG13 VAL 49 3HG1 VAL 49 2.842 -9.378 10.637 371 HG21 VAL 49 3HG2 VAL 49 4.192 -7.776 7.600 372 HG22 VAL 49 1HG2 VAL 49 3.993 -6.116 8.161 373 HG23 VAL 49 2HG2 VAL 49 2.581 -7.066 7.698 374 H ASP 50 H ASP 50 2.104 -4.601 9.007 375 HA ASP 50 HA ASP 50 3.417 -2.731 10.752 376 HB2 ASP 50 1HB ASP 50 5.282 -3.788 9.379 377 HB3 ASP 50 2HB ASP 50 4.555 -3.025 7.969 378 H THR 51 H THR 51 3.077 -0.530 10.088 379 HA THR 51 HA THR 51 0.965 -0.159 8.084 380 HB THR 51 HB THR 51 0.757 0.872 10.926 381 HG1 THR 51 HG1 THR 51 -1.158 -0.904 10.151 382 HG21 THR 51 3HG2 THR 51 -1.224 0.848 8.649 383 HG22 THR 51 1HG2 THR 51 -0.376 2.263 9.274 384 HG23 THR 51 2HG2 THR 51 -1.548 1.417 10.286 385 H GLN 52 H GLN 52 1.320 1.655 6.908 386 HA GLN 52 HA GLN 52 2.997 3.761 8.107 387 HB2 GLN 52 1HB GLN 52 4.202 2.343 6.356 388 HB3 GLN 52 2HB GLN 52 3.094 3.037 5.177 389 HG2 GLN 52 1HG GLN 52 3.946 5.290 6.316 390 HG3 GLN 52 2HG GLN 52 5.354 4.277 6.622 391 HE21 GLN 52 2HE2 GLN 52 3.417 5.848 4.222 392 HE22 GLN 52 1HE2 GLN 52 4.514 5.641 2.898 393 H THR 53 H THR 53 2.162 5.761 7.949 394 HA THR 53 HA THR 53 -0.344 6.077 6.495 395 HB THR 53 HB THR 53 1.043 8.080 8.291 396 HG1 THR 53 HG1 THR 53 -0.464 5.796 8.845 397 HG21 THR 53 3HG2 THR 53 -1.834 7.815 7.399 398 HG22 THR 53 1HG2 THR 53 -0.684 9.026 6.832 399 HG23 THR 53 2HG2 THR 53 -1.211 9.031 8.516 400 H VAL 54 H VAL 54 -0.391 6.942 4.506 401 HA VAL 54 HA VAL 54 2.007 8.203 3.443 402 HB VAL 54 HB VAL 54 -0.640 7.621 2.099 403 HG11 VAL 54 1HG1 VAL 54 0.548 9.445 1.005 404 HG12 VAL 54 2HG1 VAL 54 0.571 7.995 -0.000 405 HG13 VAL 54 3HG1 VAL 54 2.006 8.458 0.913 406 HG21 VAL 54 3HG2 VAL 54 1.981 6.132 1.995 407 HG22 VAL 54 1HG2 VAL 54 0.548 5.761 1.035 408 HG23 VAL 54 2HG2 VAL 54 0.504 5.585 2.789 409 H THR 55 H THR 55 2.295 10.325 3.202 410 HA THR 55 HA THR 55 0.703 12.105 4.681 411 HB THR 55 HB THR 55 2.704 12.870 2.554 412 HG1 THR 55 HG1 THR 55 3.010 11.623 5.028 413 HG21 THR 55 3HG2 THR 55 1.838 14.229 5.112 414 HG22 THR 55 1HG2 THR 55 1.410 14.732 3.477 415 HG23 THR 55 2HG2 THR 55 3.088 14.811 4.012 416 H SER 56 H SER 56 0.976 11.633 1.174 417 HA SER 56 HA SER 56 -1.648 12.401 0.582 418 HB2 SER 56 1HB SER 56 -0.885 14.662 1.266 419 HB3 SER 56 2HB SER 56 0.403 14.581 0.067 420 HG SER 56 HG SER 56 -2.315 14.263 -0.663 421 H LEU 57 H LEU 57 -2.042 11.431 -1.323 422 HA LEU 57 HA LEU 57 0.256 10.942 -3.078 423 HB2 LEU 57 1HB LEU 57 -0.824 8.918 -2.321 424 HB3 LEU 57 2HB LEU 57 -2.383 9.499 -2.871 425 HG LEU 57 HG LEU 57 -1.726 9.295 -5.175 426 HD11 LEU 57 1HD1 LEU 57 0.990 8.487 -4.154 427 HD12 LEU 57 2HD1 LEU 57 0.598 10.001 -4.968 428 HD13 LEU 57 3HD1 LEU 57 0.469 8.474 -5.839 429 HD21 LEU 57 3HD2 LEU 57 -0.926 6.879 -3.563 430 HD22 LEU 57 1HD2 LEU 57 -1.267 6.876 -5.294 431 HD23 LEU 57 2HD2 LEU 57 -2.542 7.275 -4.146 432 H GLU 58 H GLU 58 0.445 12.293 -4.638 433 HA GLU 58 HA GLU 58 -1.548 14.058 -5.551 434 HB2 GLU 58 1HB GLU 58 0.935 14.416 -5.599 435 HB3 GLU 58 2HB GLU 58 1.024 13.269 -6.925 436 HG2 GLU 58 1HG GLU 58 -0.300 14.719 -8.321 437 HG3 GLU 58 2HG GLU 58 -0.529 15.844 -6.979 438 H SER 59 H SER 59 -2.727 14.093 -7.460 439 HA SER 59 HA SER 59 -3.604 11.609 -8.482 440 HB2 SER 59 1HB SER 59 -4.842 13.870 -8.458 441 HB3 SER 59 2HB SER 59 -3.930 14.242 -9.919 442 HG SER 59 HG SER 59 -4.842 12.315 -10.854 443 H GLU 60 H GLU 60 -3.077 10.489 -10.281 444 HA GLU 60 HA GLU 60 -1.895 9.714 -12.033 445 HB2 GLU 60 1HB GLU 60 -1.365 12.644 -12.412 446 HB3 GLU 60 2HB GLU 60 -0.571 11.446 -13.424 447 HG2 GLU 60 1HG GLU 60 -2.467 12.188 -14.604 448 HG3 GLU 60 2HG GLU 60 -2.845 10.575 -14.008 449 H ASN 61 H ASN 61 -0.643 10.564 -9.265 450 HA ASN 61 HA ASN 61 2.108 9.927 -10.095 451 HB2 ASN 61 1HB ASN 61 1.090 11.545 -7.772 452 HB3 ASN 61 2HB ASN 61 2.696 10.826 -7.746 453 HD21 ASN 61 2HD2 ASN 61 3.777 12.751 -7.748 454 HD22 ASN 61 1HD2 ASN 61 3.812 13.815 -9.112 455 H SER 62 H SER 62 3.340 8.602 -8.589 456 HA SER 62 HA SER 62 1.622 6.705 -7.125 457 HB2 SER 62 1HB SER 62 4.188 5.960 -8.529 458 HB3 SER 62 2HB SER 62 2.935 4.887 -7.902 459 HG SER 62 HG SER 62 1.761 6.507 -9.604 460 H THR 63 H THR 63 2.089 6.567 -5.042 461 HA THR 63 HA THR 63 4.728 7.469 -4.115 462 HB THR 63 HB THR 63 2.111 7.177 -2.622 463 HG1 THR 63 HG1 THR 63 3.351 9.214 -3.938 464 HG21 THR 63 3HG2 THR 63 3.980 6.575 -1.158 465 HG22 THR 63 1HG2 THR 63 3.280 8.123 -0.687 466 HG23 THR 63 2HG2 THR 63 4.800 8.078 -1.580 467 H ASN 64 H ASN 64 6.130 5.992 -3.465 468 HA ASN 64 HA ASN 64 5.256 3.233 -3.226 469 HB2 ASN 64 1HB ASN 64 8.035 4.426 -3.064 470 HB3 ASN 64 2HB ASN 64 7.660 2.706 -3.088 471 HD21 ASN 64 2HD2 ASN 64 7.959 5.597 -4.934 472 HD22 ASN 64 1HD2 ASN 64 7.770 4.873 -6.496 473 H VAL 65 H VAL 65 4.870 2.257 -1.385 474 HA VAL 65 HA VAL 65 5.354 3.712 1.108 475 HB VAL 65 HB VAL 65 3.760 1.178 0.694 476 HG11 VAL 65 1HG1 VAL 65 4.420 1.581 2.994 477 HG12 VAL 65 2HG1 VAL 65 2.682 1.805 2.797 478 HG13 VAL 65 3HG1 VAL 65 3.744 3.208 2.920 479 HG21 VAL 65 3HG2 VAL 65 1.760 2.631 0.696 480 HG22 VAL 65 1HG2 VAL 65 2.800 2.880 -0.709 481 HG23 VAL 65 2HG2 VAL 65 2.820 4.039 0.621 482 H ASP 66 H ASP 66 6.668 2.943 2.703 483 HA ASP 66 HA ASP 66 8.207 0.524 2.037 484 HB2 ASP 66 1HB ASP 66 9.035 3.014 3.537 485 HB3 ASP 66 2HB ASP 66 9.992 1.536 3.524 486 H PHE 67 H PHE 67 7.278 -1.075 3.132 487 HA PHE 67 HA PHE 67 6.362 -0.635 5.866 488 HB2 PHE 67 1HB PHE 67 6.168 -3.050 4.061 489 HB3 PHE 67 2HB PHE 67 5.547 -2.992 5.704 490 HD1 PHE 67 HD2 PHE 67 3.926 -0.922 6.150 491 HD2 PHE 67 HD1 PHE 67 4.714 -2.672 2.351 492 HE1 PHE 67 HE2 PHE 67 1.782 -0.058 5.309 493 HE2 PHE 67 HE1 PHE 67 2.573 -1.810 1.504 494 HZ PHE 67 HZ PHE 67 1.103 -0.504 2.983 495 H HIS 68 H HIS 68 7.157 -1.675 7.630 496 HA HIS 68 HA HIS 68 9.882 -2.745 7.322 497 HB2 HIS 68 1HB HIS 68 8.496 -1.960 9.896 498 HB3 HIS 68 2HB HIS 68 10.219 -2.203 9.637 499 HD1 HIS 68 HD1 HIS 68 11.562 -0.237 8.693 500 HD2 HIS 68 HD2 HIS 68 7.477 0.508 8.949 501 HE1 HIS 68 HE1 HIS 68 11.292 2.232 8.289 502 HE2 HIS 68 HE2 HIS 68 8.843 2.682 8.650 503 H TRP 69 H TRP 69 9.389 -4.850 6.687 504 HA TRP 69 HA TRP 69 7.648 -6.374 8.497 505 HB2 TRP 69 1HB TRP 69 6.771 -6.303 6.252 506 HB3 TRP 69 2HB TRP 69 8.317 -6.811 5.582 507 HD1 TRP 69 HD1 TRP 69 6.829 -8.607 8.619 508 HE1 TRP 69 HE1 TRP 69 6.229 -11.024 7.927 509 HE3 TRP 69 HE3 TRP 69 7.634 -8.229 3.588 510 HZ2 TRP 69 HZ2 TRP 69 6.128 -12.549 5.556 511 HZ3 TRP 69 HZ3 TRP 69 7.258 -10.208 2.181 512 HH2 TRP 69 HH2 TRP 69 6.515 -12.321 3.146 513 H THR 70 H THR 70 8.770 -7.451 9.932 514 HA THR 70 HA THR 70 11.423 -8.450 9.422 515 HB THR 70 HB THR 70 9.677 -9.118 11.794 516 HG1 THR 70 HG1 THR 70 10.958 -7.158 12.642 517 HG21 THR 70 3HG2 THR 70 12.668 -8.820 11.474 518 HG22 THR 70 1HG2 THR 70 11.790 -10.343 11.600 519 HG23 THR 70 2HG2 THR 70 11.829 -9.232 12.969 520 H LEU 71 H LEU 71 11.862 -10.407 8.541 521 HA LEU 71 HA LEU 71 9.633 -12.195 8.045 522 HB2 LEU 71 1HB LEU 71 12.200 -11.690 6.799 523 HB3 LEU 71 2HB LEU 71 11.900 -13.403 7.012 524 HG LEU 71 HG LEU 71 11.124 -12.809 4.846 525 HD11 LEU 71 1HD1 LEU 71 9.717 -14.374 6.055 526 HD12 LEU 71 2HD1 LEU 71 8.764 -13.372 4.960 527 HD13 LEU 71 3HD1 LEU 71 8.762 -13.035 6.690 528 HD21 LEU 71 3HD2 LEU 71 9.463 -11.058 4.468 529 HD22 LEU 71 1HD2 LEU 71 10.954 -10.413 5.153 530 HD23 LEU 71 2HD2 LEU 71 9.536 -10.631 6.179 531 H ASP 72 H ASP 72 9.125 -13.732 9.361 532 HA ASP 72 HA ASP 72 11.029 -14.917 11.186 533 HB2 ASP 72 1HB ASP 72 9.024 -16.384 11.771 534 HB3 ASP 72 2HB ASP 72 8.841 -14.660 12.079 535 H GLY 73 H GLY 73 9.251 -15.818 8.274 536 HA2 GLY 73 1HA GLY 73 10.122 -17.132 6.548 537 HA3 GLY 73 2HA GLY 73 11.378 -17.692 7.637 538 H THR 74 H THR 74 8.062 -17.820 8.678 539 HA THR 74 HA THR 74 8.122 -20.601 9.102 540 HB THR 74 HB THR 74 5.728 -18.769 8.895 541 HG1 THR 74 HG1 THR 74 6.998 -18.069 10.568 542 HG21 THR 74 3HG2 THR 74 5.984 -21.508 10.147 543 HG22 THR 74 1HG2 THR 74 5.091 -21.121 8.676 544 HG23 THR 74 2HG2 THR 74 4.561 -20.468 10.227 545 H ALA 75 H ALA 75 6.463 -18.678 6.636 546 HA ALA 75 HA ALA 75 6.138 -21.131 5.036 547 HB1 ALA 75 3HB ALA 75 4.308 -19.991 3.889 548 HB2 ALA 75 1HB ALA 75 4.574 -18.555 4.879 549 HB3 ALA 75 2HB ALA 75 4.023 -20.054 5.628 550 H ASN 76 H ASN 76 6.700 -21.096 2.834 551 HA ASN 76 HA ASN 76 8.871 -19.274 2.260 552 HB2 ASN 76 1HB ASN 76 9.414 -20.667 0.425 553 HB3 ASN 76 2HB ASN 76 8.892 -21.755 1.705 554 HD21 ASN 76 2HD2 ASN 76 8.979 -22.005 -1.235 555 HD22 ASN 76 1HD2 ASN 76 7.377 -22.457 -1.715 556 H SER 77 H SER 77 5.583 -19.180 1.822 557 HA SER 77 HA SER 77 5.864 -16.895 0.063 558 HB2 SER 77 1HB SER 77 5.430 -18.933 -1.398 559 HB3 SER 77 2HB SER 77 3.852 -19.047 -0.620 560 HG SER 77 HG SER 77 4.519 -16.542 -1.598 561 H TYR 78 H TYR 78 4.663 -15.294 0.828 562 HA TYR 78 HA TYR 78 2.519 -15.981 2.723 563 HB2 TYR 78 1HB TYR 78 4.464 -13.689 2.686 564 HB3 TYR 78 2HB TYR 78 2.956 -13.597 3.590 565 HD1 TYR 78 HD2 TYR 78 2.534 -15.810 5.078 566 HD2 TYR 78 HD1 TYR 78 6.326 -14.304 3.883 567 HE1 TYR 78 HE2 TYR 78 3.581 -16.961 6.972 568 HE2 TYR 78 HE1 TYR 78 7.384 -15.452 5.774 569 HH TYR 78 HH TYR 78 6.497 -16.296 8.170 570 H THR 79 H THR 79 0.706 -14.600 2.831 571 HA THR 79 HA THR 79 -0.019 -13.470 0.236 572 HB THR 79 HB THR 79 -1.848 -13.847 2.610 573 HG1 THR 79 HG1 THR 79 -1.680 -15.927 2.302 574 HG21 THR 79 3HG2 THR 79 -3.583 -13.966 0.885 575 HG22 THR 79 1HG2 THR 79 -2.359 -13.749 -0.366 576 HG23 THR 79 2HG2 THR 79 -2.687 -12.451 0.781 577 H LEU 80 H LEU 80 0.838 -11.440 0.192 578 HA LEU 80 HA LEU 80 0.499 -9.747 2.545 579 HB2 LEU 80 1HB LEU 80 2.361 -9.760 0.248 580 HB3 LEU 80 2HB LEU 80 1.920 -8.192 0.898 581 HG LEU 80 HG LEU 80 2.719 -8.892 3.122 582 HD11 LEU 80 1HD1 LEU 80 2.359 -11.282 2.979 583 HD12 LEU 80 2HD1 LEU 80 4.052 -10.947 3.343 584 HD13 LEU 80 3HD1 LEU 80 3.576 -11.413 1.710 585 HD21 LEU 80 3HD2 LEU 80 4.733 -9.240 0.909 586 HD22 LEU 80 1HD2 LEU 80 5.101 -8.866 2.592 587 HD23 LEU 80 2HD2 LEU 80 4.208 -7.709 1.606 588 H THR 81 H THR 81 -1.121 -8.437 2.664 589 HA THR 81 HA THR 81 -2.433 -7.555 0.177 590 HB THR 81 HB THR 81 -3.744 -7.950 2.875 591 HG1 THR 81 HG1 THR 81 -2.931 -9.873 1.546 592 HG21 THR 81 3HG2 THR 81 -4.911 -7.494 0.125 593 HG22 THR 81 1HG2 THR 81 -4.865 -6.316 1.437 594 HG23 THR 81 2HG2 THR 81 -5.832 -7.781 1.602 595 H VAL 82 H VAL 82 -2.211 -5.445 -0.169 596 HA VAL 82 HA VAL 82 -1.613 -3.672 2.084 597 HB VAL 82 HB VAL 82 -1.653 -3.006 -0.867 598 HG11 VAL 82 1HG1 VAL 82 -0.314 -1.063 -0.202 599 HG12 VAL 82 2HG1 VAL 82 -0.469 -1.540 1.488 600 HG13 VAL 82 3HG1 VAL 82 -1.899 -1.062 0.573 601 HG21 VAL 82 3HG2 VAL 82 0.798 -3.179 -0.773 602 HG22 VAL 82 1HG2 VAL 82 0.013 -4.723 -0.441 603 HG23 VAL 82 2HG2 VAL 82 0.683 -3.771 0.884 604 H ASN 83 H ASN 83 -3.405 -2.927 3.119 605 HA ASN 83 HA ASN 83 -5.752 -2.303 1.464 606 HB2 ASN 83 1HB ASN 83 -6.052 -3.717 3.520 607 HB3 ASN 83 2HB ASN 83 -5.590 -2.314 4.483 608 HD21 ASN 83 2HD2 ASN 83 -7.597 -2.229 5.500 609 HD22 ASN 83 1HD2 ASN 83 -9.017 -1.684 4.670 610 H VAL 84 H VAL 84 -6.278 -0.310 0.980 611 HA VAL 84 HA VAL 84 -4.612 1.839 2.062 612 HB VAL 84 HB VAL 84 -6.354 1.763 -0.407 613 HG11 VAL 84 1HG1 VAL 84 -5.261 3.868 -1.022 614 HG12 VAL 84 2HG1 VAL 84 -4.454 3.896 0.548 615 HG13 VAL 84 3HG1 VAL 84 -6.211 4.024 0.457 616 HG21 VAL 84 3HG2 VAL 84 -4.234 1.742 -1.630 617 HG22 VAL 84 1HG2 VAL 84 -4.406 0.325 -0.592 618 HG23 VAL 84 2HG2 VAL 84 -3.360 1.657 -0.100 619 H ASP 85 H ASP 85 -5.436 2.830 3.725 620 HA ASP 85 HA ASP 85 -6.738 4.124 5.017 621 HB2 ASP 85 1HB ASP 85 -7.195 5.444 3.017 622 HB3 ASP 85 2HB ASP 85 -8.522 4.366 2.592 623 HA PRO 86 HA PRO 86 -9.896 1.195 6.317 624 HB2 PRO 86 1HB PRO 86 -8.682 0.333 8.541 625 HB3 PRO 86 2HB PRO 86 -8.228 -0.295 6.953 626 HG2 PRO 86 1HG PRO 86 -6.750 1.525 8.740 627 HG3 PRO 86 2HG PRO 86 -6.144 0.488 7.439 628 HD2 PRO 86 1HD PRO 86 -6.758 3.318 7.359 629 HD3 PRO 86 2HD PRO 86 -6.030 2.306 6.095 630 H GLU 87 H GLU 87 -9.240 4.194 6.884 631 HA GLU 87 HA GLU 87 -10.582 4.353 9.504 632 HB2 GLU 87 1HB GLU 87 -8.270 6.024 8.517 633 HB3 GLU 87 2HB GLU 87 -9.194 6.372 9.972 634 HG2 GLU 87 1HG GLU 87 -8.486 4.282 10.958 635 HG3 GLU 87 2HG GLU 87 -7.623 3.854 9.482 636 H ASN 88 H ASN 88 -10.704 5.152 6.286 637 HA ASN 88 HA ASN 88 -11.862 6.602 5.004 638 HB2 ASN 88 1HB ASN 88 -13.733 5.757 6.506 639 HB3 ASN 88 2HB ASN 88 -13.531 7.234 7.441 640 HD21 ASN 88 2HD2 ASN 88 -14.294 9.147 6.637 641 HD22 ASN 88 1HD2 ASN 88 -15.257 9.263 5.202 642 H ALA 89 H ALA 89 -9.523 7.522 5.943 643 HA ALA 89 HA ALA 89 -9.875 10.259 6.864 644 HB1 ALA 89 3HB ALA 89 -7.404 8.805 5.899 645 HB2 ALA 89 1HB ALA 89 -7.891 9.013 7.580 646 HB3 ALA 89 2HB ALA 89 -7.434 10.417 6.615 647 H VAL 90 H VAL 90 -9.081 8.453 3.975 648 HA VAL 90 HA VAL 90 -9.914 10.787 2.379 649 HB VAL 90 HB VAL 90 -8.154 8.533 1.391 650 HG11 VAL 90 1HG1 VAL 90 -7.735 10.047 -0.493 651 HG12 VAL 90 2HG1 VAL 90 -8.851 11.219 0.210 652 HG13 VAL 90 3HG1 VAL 90 -9.447 9.651 -0.335 653 HG21 VAL 90 3HG2 VAL 90 -6.279 10.096 1.497 654 HG22 VAL 90 1HG2 VAL 90 -6.950 9.791 3.099 655 HG23 VAL 90 2HG2 VAL 90 -7.319 11.297 2.261 656 H ASN 91 H ASN 91 -12.002 10.404 1.922 657 HA ASN 91 HA ASN 91 -13.003 7.710 1.771 658 HB2 ASN 91 1HB ASN 91 -14.406 9.452 2.758 659 HB3 ASN 91 2HB ASN 91 -14.403 10.340 1.236 660 HD21 ASN 91 2HD2 ASN 91 -15.441 7.379 2.809 661 HD22 ASN 91 1HD2 ASN 91 -16.729 7.019 1.703 662 H GLU 92 H GLU 92 -12.444 6.573 0.086 663 HA GLU 92 HA GLU 92 -11.954 7.704 -2.495 664 HB2 GLU 92 1HB GLU 92 -12.028 4.860 -1.485 665 HB3 GLU 92 2HB GLU 92 -11.596 5.299 -3.132 666 HG2 GLU 92 1HG GLU 92 -10.156 6.185 -0.646 667 HG3 GLU 92 2HG GLU 92 -9.628 4.917 -1.754 668 H GLY 93 H GLY 93 -12.874 6.494 -4.441 669 HA2 GLY 93 1HA GLY 93 -15.639 6.777 -4.707 670 HA3 GLY 93 2HA GLY 93 -14.616 5.808 -5.762 671 H ASN 94 H ASN 94 -14.729 3.631 -5.647 672 HA ASN 94 HA ASN 94 -16.583 2.460 -3.736 673 HB2 ASN 94 1HB ASN 94 -16.341 0.400 -5.002 674 HB3 ASN 94 2HB ASN 94 -16.646 1.732 -6.105 675 HD21 ASN 94 2HD2 ASN 94 -15.420 -0.894 -6.526 676 HD22 ASN 94 1HD2 ASN 94 -13.867 -0.571 -7.231 677 H GLU 95 H GLU 95 -15.762 0.226 -2.794 678 HA GLU 95 HA GLU 95 -13.053 0.710 -1.732 679 HB2 GLU 95 1HB GLU 95 -15.457 -0.564 -0.433 680 HB3 GLU 95 2HB GLU 95 -13.834 -0.684 0.235 681 HG2 GLU 95 1HG GLU 95 -13.729 1.763 0.384 682 HG3 GLU 95 2HG GLU 95 -15.373 1.858 -0.246 683 H SER 96 H SER 96 -13.947 -0.809 -4.146 684 HA SER 96 HA SER 96 -12.763 -3.408 -3.432 685 HB2 SER 96 1HB SER 96 -14.397 -2.665 -5.874 686 HB3 SER 96 2HB SER 96 -13.773 -4.271 -5.497 687 HG SER 96 HG SER 96 -15.032 -3.902 -3.417 688 H ASN 97 H ASN 97 -11.554 -0.705 -4.051 689 HA ASN 97 HA ASN 97 -9.756 -1.560 -6.227 690 HB2 ASN 97 1HB ASN 97 -9.528 0.819 -6.845 691 HB3 ASN 97 2HB ASN 97 -11.198 0.277 -6.978 692 HD21 ASN 97 2HD2 ASN 97 -10.306 2.984 -6.715 693 HD22 ASN 97 1HD2 ASN 97 -10.958 3.591 -5.231 694 H ASN 98 H ASN 98 -10.115 -0.328 -3.041 695 HA ASN 98 HA ASN 98 -7.438 0.758 -2.869 696 HB2 ASN 98 1HB ASN 98 -8.086 1.443 -0.615 697 HB3 ASN 98 2HB ASN 98 -9.323 1.910 -1.771 698 HD21 ASN 98 2HD2 ASN 98 -9.355 1.374 1.164 699 HD22 ASN 98 1HD2 ASN 98 -10.629 0.220 1.385 700 H THR 99 H THR 99 -7.931 -2.203 -3.218 701 HA THR 99 HA THR 99 -6.265 -3.036 -0.948 702 HB THR 99 HB THR 99 -8.215 -5.019 -1.982 703 HG1 THR 99 HG1 THR 99 -8.894 -2.823 -0.286 704 HG21 THR 99 3HG2 THR 99 -6.569 -5.633 -0.286 705 HG22 THR 99 1HG2 THR 99 -8.205 -5.727 0.368 706 HG23 THR 99 2HG2 THR 99 -7.171 -4.355 0.770 707 H LEU 100 H LEU 100 -4.742 -4.570 -1.413 708 HA LEU 100 HA LEU 100 -4.624 -5.662 -4.133 709 HB2 LEU 100 1HB LEU 100 -3.188 -3.753 -4.231 710 HB3 LEU 100 2HB LEU 100 -2.428 -4.167 -2.706 711 HG LEU 100 HG LEU 100 -1.540 -6.250 -3.866 712 HD11 LEU 100 1HD1 LEU 100 -2.414 -4.716 -6.308 713 HD12 LEU 100 2HD1 LEU 100 -3.040 -6.276 -5.771 714 HD13 LEU 100 3HD1 LEU 100 -1.365 -6.133 -6.307 715 HD21 LEU 100 3HD2 LEU 100 0.308 -5.030 -4.910 716 HD22 LEU 100 1HD2 LEU 100 -0.137 -4.331 -3.353 717 HD23 LEU 100 2HD2 LEU 100 -0.640 -3.544 -4.849 718 H THR 101 H THR 101 -4.582 -7.788 -3.918 719 HA THR 101 HA THR 101 -3.263 -8.956 -1.561 720 HB THR 101 HB THR 101 -5.138 -10.346 -3.484 721 HG1 THR 101 HG1 THR 101 -6.154 -8.549 -2.364 722 HG21 THR 101 3HG2 THR 101 -5.398 -11.948 -1.651 723 HG22 THR 101 1HG2 THR 101 -4.269 -11.015 -0.668 724 HG23 THR 101 2HG2 THR 101 -3.708 -11.814 -2.136 725 H ALA 102 H ALA 102 -1.157 -9.286 -2.081 726 HA ALA 102 HA ALA 102 -0.604 -10.606 -4.660 727 HB1 ALA 102 3HB ALA 102 1.148 -8.608 -3.233 728 HB2 ALA 102 1HB ALA 102 0.170 -8.284 -4.665 729 HB3 ALA 102 2HB ALA 102 1.518 -9.417 -4.756 730 H LEU 103 H LEU 103 0.571 -12.421 -4.611 731 HA LEU 103 HA LEU 103 1.461 -13.432 -2.042 732 HB2 LEU 103 1HB LEU 103 1.351 -14.631 -4.800 733 HB3 LEU 103 2HB LEU 103 2.118 -15.447 -3.452 734 HG LEU 103 HG LEU 103 -0.791 -14.655 -3.595 735 HD11 LEU 103 1HD1 LEU 103 -1.195 -17.060 -3.737 736 HD12 LEU 103 2HD1 LEU 103 0.544 -17.352 -3.774 737 HD13 LEU 103 3HD1 LEU 103 -0.233 -16.490 -5.101 738 HD21 LEU 103 3HD2 LEU 103 -1.005 -15.972 -1.536 739 HD22 LEU 103 1HD2 LEU 103 0.058 -14.582 -1.317 740 HD23 LEU 103 2HD2 LEU 103 0.744 -16.196 -1.505 741 H VAL 104 H VAL 104 3.434 -13.228 -1.310 742 HA VAL 104 HA VAL 104 5.614 -12.707 -3.224 743 HB VAL 104 HB VAL 104 6.864 -11.649 -1.425 744 HG11 VAL 104 1HG1 VAL 104 5.366 -10.240 -2.742 745 HG12 VAL 104 2HG1 VAL 104 5.512 -9.652 -1.085 746 HG13 VAL 104 3HG1 VAL 104 4.066 -10.533 -1.582 747 HG21 VAL 104 3HG2 VAL 104 5.790 -11.201 0.763 748 HG22 VAL 104 1HG2 VAL 104 6.105 -12.913 0.474 749 HG23 VAL 104 2HG2 VAL 104 4.472 -12.275 0.294 750 H GLY 105 H GLY 105 7.668 -13.747 -2.749 751 HA2 GLY 105 1HA GLY 105 7.285 -16.227 -1.184 752 HA3 GLY 105 2HA GLY 105 8.175 -16.182 -2.700 753 H THR 106 H THR 106 9.424 -17.221 -0.531 754 HA THR 106 HA THR 106 11.077 -15.242 0.716 755 HB THR 106 HB THR 106 12.458 -17.235 1.407 756 HG1 THR 106 HG1 THR 106 12.143 -18.930 0.174 757 HG21 THR 106 3HG2 THR 106 10.752 -18.141 2.930 758 HG22 THR 106 1HG2 THR 106 9.494 -17.355 1.975 759 HG23 THR 106 2HG2 THR 106 10.683 -16.382 2.842 760 H LEU 107 H LEU 107 13.548 -15.449 0.433 761 HA LEU 107 HA LEU 107 14.110 -14.818 -2.270 762 HB2 LEU 107 1HB LEU 107 15.302 -13.827 -0.323 763 HB3 LEU 107 2HB LEU 107 16.091 -15.373 -0.065 764 HG LEU 107 HG LEU 107 17.031 -15.170 -2.399 765 HD11 LEU 107 1HD1 LEU 107 15.454 -13.538 -3.269 766 HD12 LEU 107 2HD1 LEU 107 17.108 -12.935 -3.382 767 HD13 LEU 107 3HD1 LEU 107 16.037 -12.340 -2.113 768 HD21 LEU 107 3HD2 LEU 107 17.797 -13.066 -0.387 769 HD22 LEU 107 1HD2 LEU 107 18.795 -13.621 -1.731 770 HD23 LEU 107 2HD2 LEU 107 18.373 -14.732 -0.428 771 H GLU 108 H GLU 108 13.717 -16.511 -3.590 772 HA GLU 108 HA GLU 108 14.880 -19.107 -3.122 773 HB2 GLU 108 1HB GLU 108 13.213 -17.944 -5.343 774 HB3 GLU 108 2HB GLU 108 13.911 -19.555 -5.452 775 HG2 GLU 108 1HG GLU 108 12.048 -18.623 -3.277 776 HG3 GLU 108 2HG GLU 108 11.573 -19.566 -4.691 777 H HIS 109 H HIS 109 16.399 -16.485 -3.752 778 HA HIS 109 HA HIS 109 17.914 -17.188 -6.095 779 HB2 HIS 109 1HB HIS 109 17.486 -14.823 -5.029 780 HB3 HIS 109 2HB HIS 109 18.879 -15.232 -4.035 781 HD1 HIS 109 HD1 HIS 109 21.113 -14.726 -5.019 782 HD2 HIS 109 HD2 HIS 109 18.111 -14.875 -7.896 783 HE1 HIS 109 HE1 HIS 109 22.185 -13.963 -7.167 784 HE2 HIS 109 HE2 HIS 109 20.289 -13.843 -8.828 785 H HIS 110 H HIS 110 17.756 -18.315 -2.989 786 HA HIS 110 HA HIS 110 20.547 -19.189 -2.869 787 HB2 HIS 110 1HB HIS 110 18.233 -19.629 -0.962 788 HB3 HIS 110 2HB HIS 110 19.859 -20.250 -0.712 789 HD1 HIS 110 HD1 HIS 110 18.284 -18.190 1.152 790 HD2 HIS 110 HD2 HIS 110 21.299 -17.286 -1.578 791 HE1 HIS 110 HE1 HIS 110 19.284 -16.016 1.933 792 HE2 HIS 110 HE2 HIS 110 21.036 -15.431 0.215 793 H HIS 111 H HIS 111 17.723 -20.072 -4.300 794 HA HIS 111 HA HIS 111 17.999 -22.958 -3.996 795 HB2 HIS 111 1HB HIS 111 15.789 -21.537 -4.098 796 HB3 HIS 111 2HB HIS 111 16.052 -21.592 -5.836 797 HD1 HIS 111 HD1 HIS 111 13.566 -22.867 -4.632 798 HD2 HIS 111 HD2 HIS 111 17.113 -24.937 -5.291 799 HE1 HIS 111 HE1 HIS 111 12.917 -25.291 -4.813 800 HE2 HIS 111 HE2 HIS 111 15.108 -26.532 -4.931 801 H HIS 112 H HIS 112 20.058 -21.359 -5.276 802 HA HIS 112 HA HIS 112 19.853 -21.615 -8.118 803 HB2 HIS 112 1HB HIS 112 21.209 -19.892 -6.790 804 HB3 HIS 112 2HB HIS 112 22.379 -21.176 -6.526 805 HD1 HIS 112 HD1 HIS 112 23.939 -21.769 -8.461 806 HD2 HIS 112 HD2 HIS 112 21.029 -18.965 -9.452 807 HE1 HIS 112 HE1 HIS 112 24.630 -20.827 -10.689 808 HE2 HIS 112 HE2 HIS 112 23.000 -18.950 -11.121 809 H HIS 113 H HIS 113 19.959 -23.536 -9.101 810 HA HIS 113 HA HIS 113 21.426 -25.733 -7.887 811 HB2 HIS 113 1HB HIS 113 19.178 -26.000 -9.053 812 HB3 HIS 113 2HB HIS 113 20.024 -25.714 -10.569 813 HD1 HIS 113 HD1 HIS 113 20.858 -27.759 -11.717 814 HD2 HIS 113 HD2 HIS 113 20.281 -28.372 -7.636 815 HE1 HIS 113 HE1 HIS 113 21.283 -30.207 -11.327 816 HE2 HIS 113 HE2 HIS 113 20.839 -30.579 -8.876 817 H HIS 114 H HIS 114 21.330 -24.660 -11.260 818 HA HIS 114 HA HIS 114 24.161 -24.064 -11.262 819 HB2 HIS 114 1HB HIS 114 22.993 -26.267 -12.976 820 HB3 HIS 114 2HB HIS 114 24.522 -25.479 -13.334 821 HD1 HIS 114 HD1 HIS 114 26.360 -25.705 -11.304 822 HD2 HIS 114 HD2 HIS 114 23.218 -28.425 -11.370 823 HE1 HIS 114 HE1 HIS 114 27.087 -27.623 -9.842 824 HE2 HIS 114 HE2 HIS 114 25.083 -29.153 -9.744 Start of MODEL 18 1 H1 MET 1 1H MET 1 -16.319 14.901 -9.774 2 H2 MET 1 2H MET 1 -16.440 14.725 -8.094 3 H3 MET 1 3H MET 1 -16.279 13.354 -9.081 4 HA MET 1 HA MET 1 -14.076 14.025 -9.728 5 HB2 MET 1 1HB MET 1 -14.536 16.471 -9.500 6 HB3 MET 1 2HB MET 1 -14.494 16.285 -7.753 7 HG2 MET 1 1HG MET 1 -12.170 15.615 -7.855 8 HG3 MET 1 2HG MET 1 -12.201 15.716 -9.615 9 HE1 MET 1 3HE MET 1 -10.141 17.310 -9.737 10 HE2 MET 1 1HE MET 1 -9.965 17.188 -7.987 11 HE3 MET 1 2HE MET 1 -9.959 18.771 -8.765 12 H ILE 2 H ILE 2 -13.333 12.186 -8.821 13 HA ILE 2 HA ILE 2 -13.005 12.114 -5.902 14 HB ILE 2 HB ILE 2 -15.161 10.918 -6.848 15 HG12 ILE 2 1HG1 ILE 2 -13.321 9.494 -4.919 16 HG13 ILE 2 2HG1 ILE 2 -14.362 10.852 -4.503 17 HG21 ILE 2 1HG2 ILE 2 -14.809 8.563 -7.385 18 HG22 ILE 2 2HG2 ILE 2 -13.064 8.804 -7.317 19 HG23 ILE 2 3HG2 ILE 2 -14.017 9.614 -8.561 20 HD11 ILE 2 3HD1 ILE 2 -16.324 9.501 -5.083 21 HD12 ILE 2 1HD1 ILE 2 -15.356 8.767 -3.804 22 HD13 ILE 2 2HD1 ILE 2 -15.262 8.141 -5.450 23 HA PRO 3 HA PRO 3 -9.088 10.375 -7.144 24 HB2 PRO 3 1HB PRO 3 -8.750 9.166 -4.529 25 HB3 PRO 3 2HB PRO 3 -7.935 10.576 -5.209 26 HG2 PRO 3 1HG PRO 3 -9.716 10.719 -3.150 27 HG3 PRO 3 2HG PRO 3 -9.437 12.042 -4.295 28 HD2 PRO 3 1HD PRO 3 -11.653 10.026 -4.228 29 HD3 PRO 3 2HD PRO 3 -11.722 11.768 -4.582 30 H ASP 4 H ASP 4 -7.825 8.180 -6.582 31 HA ASP 4 HA ASP 4 -9.448 5.839 -6.358 32 HB2 ASP 4 1HB ASP 4 -9.863 6.576 -8.737 33 HB3 ASP 4 2HB ASP 4 -8.150 6.326 -9.048 34 H LEU 5 H LEU 5 -7.855 5.821 -4.655 35 HA LEU 5 HA LEU 5 -5.063 5.636 -5.188 36 HB2 LEU 5 1HB LEU 5 -6.593 4.677 -2.765 37 HB3 LEU 5 2HB LEU 5 -4.865 4.959 -2.852 38 HG LEU 5 HG LEU 5 -6.984 7.092 -3.121 39 HD11 LEU 5 1HD1 LEU 5 -6.221 7.825 -0.916 40 HD12 LEU 5 2HD1 LEU 5 -5.147 6.429 -0.825 41 HD13 LEU 5 3HD1 LEU 5 -6.895 6.196 -0.863 42 HD21 LEU 5 3HD2 LEU 5 -3.985 7.301 -2.919 43 HD22 LEU 5 1HD2 LEU 5 -5.119 8.652 -2.945 44 HD23 LEU 5 2HD2 LEU 5 -4.952 7.613 -4.361 45 H VAL 6 H VAL 6 -4.373 4.030 -6.479 46 HA VAL 6 HA VAL 6 -5.311 1.300 -5.908 47 HB VAL 6 HB VAL 6 -4.005 2.315 -8.437 48 HG11 VAL 6 1HG1 VAL 6 -5.375 -0.304 -7.831 49 HG12 VAL 6 2HG1 VAL 6 -3.639 -0.063 -8.032 50 HG13 VAL 6 3HG1 VAL 6 -4.727 0.186 -9.396 51 HG21 VAL 6 3HG2 VAL 6 -6.192 3.333 -8.163 52 HG22 VAL 6 1HG2 VAL 6 -6.914 1.750 -7.873 53 HG23 VAL 6 2HG2 VAL 6 -6.232 2.131 -9.454 54 HA PRO 7 HA PRO 7 -1.027 0.622 -4.528 55 HB2 PRO 7 1HB PRO 7 -1.644 -1.915 -3.653 56 HB3 PRO 7 2HB PRO 7 -1.760 -0.465 -2.653 57 HG2 PRO 7 1HG PRO 7 -3.906 -1.952 -4.093 58 HG3 PRO 7 2HG PRO 7 -3.952 -1.168 -2.505 59 HD2 PRO 7 1HD PRO 7 -5.050 -0.051 -4.709 60 HD3 PRO 7 2HD PRO 7 -4.339 0.917 -3.403 61 H VAL 8 H VAL 8 0.288 0.116 -6.142 62 HA VAL 8 HA VAL 8 -0.793 -1.374 -8.393 63 HB VAL 8 HB VAL 8 1.879 0.016 -8.291 64 HG11 VAL 8 1HG1 VAL 8 0.014 -0.675 -10.552 65 HG12 VAL 8 2HG1 VAL 8 1.571 -1.426 -10.201 66 HG13 VAL 8 3HG1 VAL 8 1.498 0.262 -10.714 67 HG21 VAL 8 3HG2 VAL 8 -0.792 1.223 -8.984 68 HG22 VAL 8 1HG2 VAL 8 0.776 1.999 -9.212 69 HG23 VAL 8 2HG2 VAL 8 0.206 1.622 -7.585 70 H SER 9 H SER 9 2.281 -1.333 -6.585 71 HA SER 9 HA SER 9 2.527 -4.200 -7.110 72 HB2 SER 9 1HB SER 9 4.983 -3.762 -7.611 73 HB3 SER 9 2HB SER 9 3.833 -3.253 -8.847 74 HG SER 9 HG SER 9 5.461 -1.729 -7.193 75 H LEU 10 H LEU 10 3.879 -5.336 -5.696 76 HA LEU 10 HA LEU 10 4.812 -3.888 -3.314 77 HB2 LEU 10 1HB LEU 10 2.756 -5.020 -2.708 78 HB3 LEU 10 2HB LEU 10 3.332 -6.519 -3.406 79 HG LEU 10 HG LEU 10 5.079 -6.648 -1.665 80 HD11 LEU 10 1HD1 LEU 10 5.346 -4.268 -1.214 81 HD12 LEU 10 2HD1 LEU 10 4.968 -5.151 0.267 82 HD13 LEU 10 3HD1 LEU 10 3.716 -4.205 -0.540 83 HD21 LEU 10 3HD2 LEU 10 2.956 -7.777 -1.335 84 HD22 LEU 10 1HD2 LEU 10 2.269 -6.313 -0.634 85 HD23 LEU 10 2HD2 LEU 10 3.572 -7.161 0.198 86 H THR 11 H THR 11 6.939 -3.946 -3.676 87 HA THR 11 HA THR 11 8.169 -6.499 -4.505 88 HB THR 11 HB THR 11 9.128 -3.687 -5.026 89 HG1 THR 11 HG1 THR 11 7.340 -5.220 -6.316 90 HG21 THR 11 3HG2 THR 11 10.966 -5.337 -4.859 91 HG22 THR 11 1HG2 THR 11 10.800 -4.652 -6.477 92 HG23 THR 11 2HG2 THR 11 10.195 -6.273 -6.140 93 HA PRO 12 HA PRO 12 10.078 -7.349 -4.601 94 HB2 PRO 12 1HB PRO 12 11.438 -9.286 -3.337 95 HB3 PRO 12 2HB PRO 12 12.204 -7.776 -3.842 96 HG2 PRO 12 1HG PRO 12 11.332 -8.646 -1.136 97 HG3 PRO 12 2HG PRO 12 12.717 -7.648 -1.603 98 HD2 PRO 12 1HD PRO 12 10.272 -6.714 -0.608 99 HD3 PRO 12 2HD PRO 12 11.506 -5.738 -1.427 100 H VAL 13 H VAL 13 8.624 -8.735 -5.296 101 HA VAL 13 HA VAL 13 6.628 -9.893 -3.663 102 HB VAL 13 HB VAL 13 5.982 -11.218 -5.621 103 HG11 VAL 13 1HG1 VAL 13 5.203 -8.938 -5.477 104 HG12 VAL 13 2HG1 VAL 13 5.549 -9.342 -7.159 105 HG13 VAL 13 3HG1 VAL 13 6.684 -8.352 -6.237 106 HG21 VAL 13 3HG2 VAL 13 8.478 -10.100 -6.897 107 HG22 VAL 13 1HG2 VAL 13 7.222 -11.021 -7.725 108 HG23 VAL 13 2HG2 VAL 13 8.193 -11.788 -6.469 109 H THR 14 H THR 14 9.840 -10.839 -4.119 110 HA THR 14 HA THR 14 9.259 -13.355 -2.733 111 HB THR 14 HB THR 14 11.541 -13.315 -4.663 112 HG1 THR 14 HG1 THR 14 8.824 -13.263 -5.317 113 HG21 THR 14 3HG2 THR 14 10.994 -15.700 -4.839 114 HG22 THR 14 1HG2 THR 14 9.608 -15.457 -3.776 115 HG23 THR 14 2HG2 THR 14 11.245 -15.224 -3.160 116 H VAL 15 H VAL 15 10.326 -13.410 -0.857 117 HA VAL 15 HA VAL 15 12.471 -11.418 -0.464 118 HB VAL 15 HB VAL 15 11.725 -11.338 1.912 119 HG11 VAL 15 1HG1 VAL 15 9.686 -10.026 1.495 120 HG12 VAL 15 2HG1 VAL 15 9.625 -10.666 -0.148 121 HG13 VAL 15 3HG1 VAL 15 10.971 -9.641 0.351 122 HG21 VAL 15 3HG2 VAL 15 9.423 -13.007 0.896 123 HG22 VAL 15 1HG2 VAL 15 9.525 -12.259 2.491 124 HG23 VAL 15 2HG2 VAL 15 10.662 -13.530 2.037 125 H VAL 16 H VAL 16 13.939 -11.910 1.405 126 HA VAL 16 HA VAL 16 14.602 -14.780 1.405 127 HB VAL 16 HB VAL 16 16.555 -12.741 2.404 128 HG11 VAL 16 1HG1 VAL 16 18.168 -14.317 1.455 129 HG12 VAL 16 2HG1 VAL 16 16.840 -15.315 0.863 130 HG13 VAL 16 3HG1 VAL 16 17.072 -15.094 2.597 131 HG21 VAL 16 3HG2 VAL 16 17.428 -12.377 0.136 132 HG22 VAL 16 1HG2 VAL 16 15.788 -11.750 0.306 133 HG23 VAL 16 2HG2 VAL 16 16.067 -13.276 -0.534 134 HA PRO 17 HA PRO 17 13.592 -14.695 5.850 135 HB2 PRO 17 1HB PRO 17 14.703 -17.427 5.572 136 HB3 PRO 17 2HB PRO 17 13.172 -16.908 6.285 137 HG2 PRO 17 1HG PRO 17 13.264 -18.158 3.916 138 HG3 PRO 17 2HG PRO 17 12.082 -16.878 4.254 139 HD2 PRO 17 1HD PRO 17 14.601 -16.763 2.650 140 HD3 PRO 17 2HD PRO 17 13.041 -15.963 2.363 141 H ASN 18 H ASN 18 15.276 -13.260 6.309 142 HA ASN 18 HA ASN 18 17.878 -14.333 6.930 143 HB2 ASN 18 1HB ASN 18 18.070 -14.099 4.515 144 HB3 ASN 18 2HB ASN 18 17.469 -12.449 4.598 145 HD21 ASN 18 2HD2 ASN 18 19.730 -13.852 6.834 146 HD22 ASN 18 1HD2 ASN 18 21.087 -12.881 6.381 147 H THR 19 H THR 19 16.036 -11.398 6.242 148 HA THR 19 HA THR 19 16.919 -10.169 8.705 149 HB THR 19 HB THR 19 18.800 -9.708 7.180 150 HG1 THR 19 HG1 THR 19 18.053 -7.176 7.118 151 HG21 THR 19 3HG2 THR 19 17.602 -9.833 5.055 152 HG22 THR 19 1HG2 THR 19 18.490 -8.313 5.189 153 HG23 THR 19 2HG2 THR 19 16.744 -8.342 5.443 154 H VAL 20 H VAL 20 16.164 -7.602 8.296 155 HA VAL 20 HA VAL 20 13.311 -7.750 7.925 156 HB VAL 20 HB VAL 20 15.017 -5.275 8.293 157 HG11 VAL 20 1HG1 VAL 20 12.072 -5.763 8.746 158 HG12 VAL 20 2HG1 VAL 20 12.787 -4.798 7.454 159 HG13 VAL 20 3HG1 VAL 20 12.935 -4.272 9.131 160 HG21 VAL 20 3HG2 VAL 20 14.467 -5.431 10.673 161 HG22 VAL 20 1HG2 VAL 20 15.391 -6.832 10.131 162 HG23 VAL 20 2HG2 VAL 20 13.651 -6.967 10.383 163 H ASN 21 H ASN 21 12.408 -7.710 5.992 164 HA ASN 21 HA ASN 21 13.963 -6.860 3.692 165 HB2 ASN 21 1HB ASN 21 11.176 -8.041 3.759 166 HB3 ASN 21 2HB ASN 21 12.245 -7.926 2.363 167 HD21 ASN 21 2HD2 ASN 21 13.947 -9.374 2.160 168 HD22 ASN 21 1HD2 ASN 21 14.078 -10.787 3.150 169 H THR 22 H THR 22 13.668 -5.043 2.575 170 HA THR 22 HA THR 22 11.813 -3.062 3.529 171 HB THR 22 HB THR 22 13.539 -2.934 1.047 172 HG1 THR 22 HG1 THR 22 14.856 -3.353 2.852 173 HG21 THR 22 3HG2 THR 22 12.356 -0.782 2.808 174 HG22 THR 22 1HG2 THR 22 11.813 -1.209 1.186 175 HG23 THR 22 2HG2 THR 22 13.414 -0.508 1.423 176 H MET 23 H MET 23 9.748 -3.765 3.122 177 HA MET 23 HA MET 23 9.026 -4.679 0.465 178 HB2 MET 23 1HB MET 23 7.295 -4.242 2.906 179 HB3 MET 23 2HB MET 23 6.783 -5.015 1.414 180 HG2 MET 23 1HG MET 23 8.874 -6.017 3.331 181 HG3 MET 23 2HG MET 23 7.253 -6.670 3.104 182 HE1 MET 23 3HE MET 23 6.467 -7.968 0.932 183 HE2 MET 23 1HE MET 23 7.469 -8.163 -0.506 184 HE3 MET 23 2HE MET 23 6.900 -6.561 -0.040 185 H THR 24 H THR 24 8.809 -3.197 -1.044 186 HA THR 24 HA THR 24 7.881 -0.516 -0.308 187 HB THR 24 HB THR 24 9.041 -1.415 -2.951 188 HG1 THR 24 HG1 THR 24 10.284 -1.362 -0.670 189 HG21 THR 24 3HG2 THR 24 9.525 0.976 -3.236 190 HG22 THR 24 1HG2 THR 24 8.758 1.316 -1.684 191 HG23 THR 24 2HG2 THR 24 7.797 0.696 -3.025 192 H ALA 25 H ALA 25 5.767 -0.202 -0.470 193 HA ALA 25 HA ALA 25 4.278 -1.548 -2.618 194 HB1 ALA 25 3HB ALA 25 3.255 -0.198 -0.117 195 HB2 ALA 25 1HB ALA 25 3.419 -1.936 -0.365 196 HB3 ALA 25 2HB ALA 25 2.264 -1.015 -1.327 197 H THR 26 H THR 26 4.150 -0.333 -4.387 198 HA THR 26 HA THR 26 4.264 2.558 -4.199 199 HB THR 26 HB THR 26 4.029 0.839 -6.677 200 HG1 THR 26 HG1 THR 26 6.418 1.960 -5.589 201 HG21 THR 26 3HG2 THR 26 3.459 3.199 -7.025 202 HG22 THR 26 1HG2 THR 26 4.987 2.796 -7.811 203 HG23 THR 26 2HG2 THR 26 4.987 3.681 -6.285 204 H ILE 27 H ILE 27 2.464 3.659 -3.857 205 HA ILE 27 HA ILE 27 -0.106 2.547 -4.744 206 HB ILE 27 HB ILE 27 0.272 4.954 -2.965 207 HG12 ILE 27 1HG1 ILE 27 1.464 3.137 -1.877 208 HG13 ILE 27 2HG1 ILE 27 -0.041 3.441 -1.023 209 HG21 ILE 27 1HG2 ILE 27 -1.935 4.656 -3.939 210 HG22 ILE 27 2HG2 ILE 27 -1.978 4.390 -2.195 211 HG23 ILE 27 3HG2 ILE 27 -2.010 3.013 -3.297 212 HD11 ILE 27 3HD1 ILE 27 0.447 1.207 -2.978 213 HD12 ILE 27 1HD1 ILE 27 -1.048 1.499 -2.087 214 HD13 ILE 27 2HD1 ILE 27 0.427 1.064 -1.221 215 H GLU 28 H GLU 28 -1.043 3.373 -6.519 216 HA GLU 28 HA GLU 28 -0.153 6.034 -7.434 217 HB2 GLU 28 1HB GLU 28 0.515 4.120 -8.894 218 HB3 GLU 28 2HB GLU 28 -1.186 3.743 -9.120 219 HG2 GLU 28 1HG GLU 28 -1.544 5.864 -10.215 220 HG3 GLU 28 2HG GLU 28 0.131 6.325 -9.919 221 H ASN 29 H ASN 29 -1.668 7.548 -7.301 222 HA ASN 29 HA ASN 29 -4.442 6.821 -6.900 223 HB2 ASN 29 1HB ASN 29 -3.546 8.659 -5.587 224 HB3 ASN 29 2HB ASN 29 -3.076 9.518 -7.049 225 HD21 ASN 29 2HD2 ASN 29 -4.287 11.301 -6.438 226 HD22 ASN 29 1HD2 ASN 29 -6.016 11.326 -6.543 227 H GLN 30 H GLN 30 -5.360 6.072 -8.708 228 HA GLN 30 HA GLN 30 -4.808 7.391 -11.259 229 HB2 GLN 30 1HB GLN 30 -6.289 4.826 -10.639 230 HB3 GLN 30 2HB GLN 30 -5.939 5.432 -12.252 231 HG2 GLN 30 1HG GLN 30 -3.534 5.274 -11.765 232 HG3 GLN 30 2HG GLN 30 -3.919 4.598 -10.184 233 HE21 GLN 30 2HE2 GLN 30 -2.401 3.477 -12.389 234 HE22 GLN 30 1HE2 GLN 30 -3.184 1.982 -12.797 235 H GLY 31 H GLY 31 -6.253 8.977 -9.595 236 HA2 GLY 31 1HA GLY 31 -8.850 9.068 -10.942 237 HA3 GLY 31 2HA GLY 31 -8.834 9.033 -9.183 238 H ASN 32 H ASN 32 -9.810 11.126 -10.961 239 HA ASN 32 HA ASN 32 -7.753 13.167 -10.958 240 HB2 ASN 32 1HB ASN 32 -9.258 12.845 -12.912 241 HB3 ASN 32 2HB ASN 32 -10.615 13.364 -11.919 242 HD21 ASN 32 2HD2 ASN 32 -10.978 15.501 -11.635 243 HD22 ASN 32 1HD2 ASN 32 -9.996 16.752 -12.318 244 H LYS 33 H LYS 33 -7.981 12.750 -8.448 245 HA LYS 33 HA LYS 33 -8.788 15.348 -7.560 246 HB2 LYS 33 1HB LYS 33 -10.892 13.963 -7.273 247 HB3 LYS 33 2HB LYS 33 -10.006 12.996 -6.103 248 HG2 LYS 33 1HG LYS 33 -9.603 15.091 -4.798 249 HG3 LYS 33 2HG LYS 33 -10.697 15.918 -5.909 250 HD2 LYS 33 1HD LYS 33 -12.471 14.314 -5.298 251 HD3 LYS 33 2HD LYS 33 -11.371 13.578 -4.131 252 HE2 LYS 33 1HE LYS 33 -12.340 16.436 -4.105 253 HE3 LYS 33 2HE LYS 33 -12.902 15.143 -3.047 254 HZ1 LYS 33 3HZ LYS 33 -10.649 14.967 -2.152 255 HZ2 LYS 33 1HZ LYS 33 -11.292 16.519 -1.921 256 HZ3 LYS 33 2HZ LYS 33 -10.146 16.251 -3.136 257 H ASP 34 H ASP 34 -7.870 15.853 -5.475 258 HA ASP 34 HA ASP 34 -5.475 14.356 -4.903 259 HB2 ASP 34 1HB ASP 34 -4.989 16.096 -3.292 260 HB3 ASP 34 2HB ASP 34 -5.559 16.848 -4.778 261 H SER 35 H SER 35 -4.978 13.441 -2.856 262 HA SER 35 HA SER 35 -7.323 12.777 -1.214 263 HB2 SER 35 1HB SER 35 -6.148 10.579 -0.742 264 HB3 SER 35 2HB SER 35 -6.764 10.765 -2.386 265 HG SER 35 HG SER 35 -4.543 11.536 -2.868 266 H THR 36 H THR 36 -7.100 13.022 0.936 267 HA THR 36 HA THR 36 -4.829 14.468 1.908 268 HB THR 36 HB THR 36 -6.132 14.161 4.135 269 HG1 THR 36 HG1 THR 36 -7.550 12.540 3.626 270 HG21 THR 36 3HG2 THR 36 -7.359 15.647 1.810 271 HG22 THR 36 1HG2 THR 36 -6.072 16.242 2.859 272 HG23 THR 36 2HG2 THR 36 -7.683 15.958 3.516 273 H SER 37 H SER 37 -4.501 13.531 4.485 274 HA SER 37 HA SER 37 -2.656 11.464 4.152 275 HB2 SER 37 1HB SER 37 -2.781 13.180 6.045 276 HB3 SER 37 2HB SER 37 -3.997 12.129 6.774 277 HG SER 37 HG SER 37 -1.693 10.845 5.960 278 H PHE 38 H PHE 38 -3.093 9.458 3.614 279 HA PHE 38 HA PHE 38 -5.426 8.149 4.838 280 HB2 PHE 38 1HB PHE 38 -5.652 6.763 2.865 281 HB3 PHE 38 2HB PHE 38 -5.648 8.450 2.371 282 HD1 PHE 38 HD1 PHE 38 -3.526 9.412 1.383 283 HD2 PHE 38 HD2 PHE 38 -4.101 5.244 2.022 284 HE1 PHE 38 HE1 PHE 38 -1.705 8.916 -0.203 285 HE2 PHE 38 HE2 PHE 38 -2.292 4.749 0.444 286 HZ PHE 38 HZ PHE 38 -1.083 6.571 -0.656 287 H ASN 39 H ASN 39 -5.155 5.995 5.506 288 HA ASN 39 HA ASN 39 -2.436 5.487 6.431 289 HB2 ASN 39 1HB ASN 39 -4.419 5.453 7.972 290 HB3 ASN 39 2HB ASN 39 -5.012 4.044 7.106 291 HD21 ASN 39 2HD2 ASN 39 -4.335 4.345 9.881 292 HD22 ASN 39 1HD2 ASN 39 -3.096 3.175 10.216 293 H VAL 40 H VAL 40 -1.143 3.913 5.549 294 HA VAL 40 HA VAL 40 -2.521 1.864 3.958 295 HB VAL 40 HB VAL 40 -0.111 3.465 3.243 296 HG11 VAL 40 1HG1 VAL 40 0.657 1.674 1.702 297 HG12 VAL 40 2HG1 VAL 40 -0.424 0.547 2.523 298 HG13 VAL 40 3HG1 VAL 40 0.917 1.286 3.400 299 HG21 VAL 40 3HG2 VAL 40 -2.257 3.784 2.148 300 HG22 VAL 40 1HG2 VAL 40 -2.274 2.087 1.667 301 HG23 VAL 40 2HG2 VAL 40 -1.051 3.175 1.013 302 H SER 41 H SER 41 -2.501 0.023 4.932 303 HA SER 41 HA SER 41 -0.313 -0.581 6.808 304 HB2 SER 41 1HB SER 41 -3.111 -1.724 6.830 305 HB3 SER 41 2HB SER 41 -1.897 -1.837 8.104 306 HG SER 41 HG SER 41 -2.289 0.741 7.550 307 H LEU 42 H LEU 42 0.687 -2.568 6.724 308 HA LEU 42 HA LEU 42 0.037 -4.236 4.396 309 HB2 LEU 42 1HB LEU 42 2.351 -3.431 4.518 310 HB3 LEU 42 2HB LEU 42 2.528 -4.161 6.103 311 HG LEU 42 HG LEU 42 2.197 -6.395 5.090 312 HD11 LEU 42 1HD1 LEU 42 2.278 -6.659 2.677 313 HD12 LEU 42 2HD1 LEU 42 2.297 -4.909 2.468 314 HD13 LEU 42 3HD1 LEU 42 0.875 -5.700 3.147 315 HD21 LEU 42 3HD2 LEU 42 4.373 -6.510 3.977 316 HD22 LEU 42 1HD2 LEU 42 4.443 -5.547 5.452 317 HD23 LEU 42 2HD2 LEU 42 4.413 -4.749 3.879 318 H LEU 43 H LEU 43 -1.232 -5.886 4.823 319 HA LEU 43 HA LEU 43 -1.122 -7.120 7.482 320 HB2 LEU 43 1HB LEU 43 -3.191 -7.465 5.307 321 HB3 LEU 43 2HB LEU 43 -3.270 -8.140 6.922 322 HG LEU 43 HG LEU 43 -3.107 -5.577 7.604 323 HD11 LEU 43 1HD1 LEU 43 -4.384 -4.176 6.076 324 HD12 LEU 43 2HD1 LEU 43 -4.407 -5.486 4.896 325 HD13 LEU 43 3HD1 LEU 43 -2.878 -4.734 5.347 326 HD21 LEU 43 3HD2 LEU 43 -4.885 -7.115 8.235 327 HD22 LEU 43 1HD2 LEU 43 -5.623 -6.925 6.646 328 HD23 LEU 43 2HD2 LEU 43 -5.543 -5.552 7.749 329 H VAL 44 H VAL 44 -0.548 -9.197 7.770 330 HA VAL 44 HA VAL 44 0.058 -10.798 5.373 331 HB VAL 44 HB VAL 44 1.172 -11.073 8.178 332 HG11 VAL 44 1HG1 VAL 44 0.842 -13.262 7.144 333 HG12 VAL 44 2HG1 VAL 44 2.559 -12.874 7.254 334 HG13 VAL 44 3HG1 VAL 44 1.719 -12.726 5.711 335 HG21 VAL 44 3HG2 VAL 44 2.498 -10.326 5.574 336 HG22 VAL 44 1HG2 VAL 44 3.313 -10.526 7.125 337 HG23 VAL 44 2HG2 VAL 44 2.142 -9.225 6.906 338 H ASP 45 H ASP 45 -1.520 -12.124 4.918 339 HA ASP 45 HA ASP 45 -3.241 -13.581 5.057 340 HB2 ASP 45 1HB ASP 45 -1.784 -14.915 6.538 341 HB3 ASP 45 2HB ASP 45 -2.380 -14.008 7.926 342 H GLY 46 H GLY 46 -3.301 -12.342 8.376 343 HA2 GLY 46 1HA GLY 46 -5.615 -10.693 7.728 344 HA3 GLY 46 2HA GLY 46 -5.880 -11.998 8.873 345 H ILE 47 H ILE 47 -2.740 -10.823 9.172 346 HA ILE 47 HA ILE 47 -3.581 -9.091 11.414 347 HB ILE 47 HB ILE 47 -0.913 -10.455 11.333 348 HG12 ILE 47 1HG1 ILE 47 -3.437 -11.614 12.547 349 HG13 ILE 47 2HG1 ILE 47 -2.640 -12.226 11.101 350 HG21 ILE 47 1HG2 ILE 47 -1.221 -8.648 12.922 351 HG22 ILE 47 2HG2 ILE 47 -1.051 -10.188 13.763 352 HG23 ILE 47 3HG2 ILE 47 -2.643 -9.453 13.584 353 HD11 ILE 47 3HD1 ILE 47 -2.101 -13.592 13.018 354 HD12 ILE 47 1HD1 ILE 47 -1.490 -12.179 13.880 355 HD13 ILE 47 2HD1 ILE 47 -0.658 -12.760 12.438 356 H VAL 48 H VAL 48 -2.360 -7.212 11.770 357 HA VAL 48 HA VAL 48 -1.102 -6.192 9.334 358 HB VAL 48 HB VAL 48 -1.850 -4.637 11.818 359 HG11 VAL 48 1HG1 VAL 48 -0.187 -3.546 10.427 360 HG12 VAL 48 2HG1 VAL 48 -1.730 -2.699 10.317 361 HG13 VAL 48 3HG1 VAL 48 -1.208 -3.757 9.006 362 HG21 VAL 48 3HG2 VAL 48 -3.434 -5.011 9.279 363 HG22 VAL 48 1HG2 VAL 48 -3.847 -3.920 10.601 364 HG23 VAL 48 2HG2 VAL 48 -3.845 -5.665 10.865 365 H VAL 49 H VAL 49 1.047 -6.310 9.192 366 HA VAL 49 HA VAL 49 2.616 -6.613 11.630 367 HB VAL 49 HB VAL 49 4.512 -7.129 10.126 368 HG11 VAL 49 1HG1 VAL 49 3.667 -9.287 9.348 369 HG12 VAL 49 2HG1 VAL 49 2.012 -8.725 9.586 370 HG13 VAL 49 3HG1 VAL 49 3.086 -8.915 10.972 371 HG21 VAL 49 3HG2 VAL 49 2.468 -6.831 7.928 372 HG22 VAL 49 1HG2 VAL 49 4.098 -7.478 7.735 373 HG23 VAL 49 2HG2 VAL 49 3.868 -5.792 8.199 374 H ASP 50 H ASP 50 2.060 -4.282 9.094 375 HA ASP 50 HA ASP 50 3.636 -2.334 10.565 376 HB2 ASP 50 1HB ASP 50 5.162 -3.451 8.858 377 HB3 ASP 50 2HB ASP 50 4.151 -2.729 7.612 378 H THR 51 H THR 51 3.021 -0.223 10.163 379 HA THR 51 HA THR 51 0.701 0.211 8.410 380 HB THR 51 HB THR 51 0.835 1.026 11.327 381 HG1 THR 51 HG1 THR 51 0.226 -1.294 10.350 382 HG21 THR 51 3HG2 THR 51 -1.486 1.741 11.014 383 HG22 THR 51 1HG2 THR 51 -1.388 1.323 9.304 384 HG23 THR 51 2HG2 THR 51 -0.397 2.631 9.950 385 H GLN 52 H GLN 52 1.272 1.874 7.109 386 HA GLN 52 HA GLN 52 2.860 4.039 8.315 387 HB2 GLN 52 1HB GLN 52 4.161 2.482 6.759 388 HB3 GLN 52 2HB GLN 52 3.187 3.147 5.455 389 HG2 GLN 52 1HG GLN 52 4.211 5.325 6.931 390 HG3 GLN 52 2HG GLN 52 5.540 4.201 6.652 391 HE21 GLN 52 2HE2 GLN 52 3.216 6.319 5.178 392 HE22 GLN 52 1HE2 GLN 52 3.939 6.343 3.610 393 H THR 53 H THR 53 1.430 5.630 8.497 394 HA THR 53 HA THR 53 -0.680 6.067 6.618 395 HB THR 53 HB THR 53 0.342 8.003 8.706 396 HG1 THR 53 HG1 THR 53 -1.699 6.784 9.717 397 HG21 THR 53 3HG2 THR 53 -1.997 8.771 8.721 398 HG22 THR 53 1HG2 THR 53 -2.377 7.616 7.444 399 HG23 THR 53 2HG2 THR 53 -1.265 8.948 7.127 400 H VAL 54 H VAL 54 -0.690 7.325 4.849 401 HA VAL 54 HA VAL 54 1.830 8.584 4.076 402 HB VAL 54 HB VAL 54 -0.676 8.170 2.429 403 HG11 VAL 54 1HG1 VAL 54 0.791 8.575 0.509 404 HG12 VAL 54 2HG1 VAL 54 2.136 8.893 1.605 405 HG13 VAL 54 3HG1 VAL 54 0.739 9.969 1.590 406 HG21 VAL 54 3HG2 VAL 54 0.257 6.031 3.120 407 HG22 VAL 54 1HG2 VAL 54 1.850 6.521 2.546 408 HG23 VAL 54 2HG2 VAL 54 0.530 6.295 1.399 409 H THR 55 H THR 55 2.056 10.739 3.704 410 HA THR 55 HA THR 55 0.545 12.525 5.205 411 HB THR 55 HB THR 55 2.303 13.222 2.851 412 HG1 THR 55 HG1 THR 55 4.024 13.077 4.289 413 HG21 THR 55 3HG2 THR 55 1.045 15.108 3.770 414 HG22 THR 55 1HG2 THR 55 2.763 15.261 4.136 415 HG23 THR 55 2HG2 THR 55 1.640 14.727 5.386 416 H SER 56 H SER 56 0.632 12.158 1.657 417 HA SER 56 HA SER 56 -2.098 12.658 1.237 418 HB2 SER 56 1HB SER 56 -1.507 14.949 2.000 419 HB3 SER 56 2HB SER 56 -0.293 15.050 0.727 420 HG SER 56 HG SER 56 -2.958 14.451 0.044 421 H LEU 57 H LEU 57 -2.615 12.476 -1.003 422 HA LEU 57 HA LEU 57 -0.322 12.104 -2.796 423 HB2 LEU 57 1HB LEU 57 -1.046 9.896 -1.997 424 HB3 LEU 57 2HB LEU 57 -2.673 10.224 -2.560 425 HG LEU 57 HG LEU 57 -1.966 10.176 -4.858 426 HD11 LEU 57 1HD1 LEU 57 0.207 11.254 -4.599 427 HD12 LEU 57 2HD1 LEU 57 0.354 9.740 -5.492 428 HD13 LEU 57 3HD1 LEU 57 0.833 9.814 -3.797 429 HD21 LEU 57 3HD2 LEU 57 -2.433 8.022 -3.798 430 HD22 LEU 57 1HD2 LEU 57 -0.738 7.882 -3.330 431 HD23 LEU 57 2HD2 LEU 57 -1.186 7.869 -5.037 432 H GLU 58 H GLU 58 -0.578 12.932 -4.779 433 HA GLU 58 HA GLU 58 -2.955 14.546 -5.219 434 HB2 GLU 58 1HB GLU 58 -0.430 14.424 -6.870 435 HB3 GLU 58 2HB GLU 58 -1.664 15.678 -6.904 436 HG2 GLU 58 1HG GLU 58 -1.098 16.293 -4.609 437 HG3 GLU 58 2HG GLU 58 0.149 15.046 -4.586 438 H SER 59 H SER 59 -3.552 14.743 -7.672 439 HA SER 59 HA SER 59 -4.617 12.229 -8.439 440 HB2 SER 59 1HB SER 59 -5.246 13.621 -10.546 441 HB3 SER 59 2HB SER 59 -5.969 14.050 -8.994 442 HG SER 59 HG SER 59 -3.959 15.365 -10.466 443 H GLU 60 H GLU 60 -3.819 10.716 -9.716 444 HA GLU 60 HA GLU 60 -2.594 9.589 -11.239 445 HB2 GLU 60 1HB GLU 60 -1.973 12.335 -12.331 446 HB3 GLU 60 2HB GLU 60 -1.591 10.822 -13.140 447 HG2 GLU 60 1HG GLU 60 -4.322 11.902 -12.499 448 HG3 GLU 60 2HG GLU 60 -3.583 11.742 -14.091 449 H ASN 61 H ASN 61 -1.356 10.921 -8.738 450 HA ASN 61 HA ASN 61 1.460 10.726 -9.556 451 HB2 ASN 61 1HB ASN 61 0.719 12.810 -8.370 452 HB3 ASN 61 2HB ASN 61 0.346 11.823 -6.961 453 HD21 ASN 61 2HD2 ASN 61 1.855 13.053 -5.756 454 HD22 ASN 61 1HD2 ASN 61 3.558 12.794 -5.917 455 H SER 62 H SER 62 2.928 9.492 -8.221 456 HA SER 62 HA SER 62 1.571 7.234 -6.902 457 HB2 SER 62 1HB SER 62 4.328 7.194 -8.140 458 HB3 SER 62 2HB SER 62 3.361 5.813 -7.621 459 HG SER 62 HG SER 62 1.821 6.506 -9.283 460 H THR 63 H THR 63 2.272 6.556 -4.919 461 HA THR 63 HA THR 63 4.593 7.933 -3.741 462 HB THR 63 HB THR 63 1.981 7.291 -2.354 463 HG1 THR 63 HG1 THR 63 2.884 9.454 -3.664 464 HG21 THR 63 3HG2 THR 63 2.979 8.322 -0.369 465 HG22 THR 63 1HG2 THR 63 4.509 8.509 -1.229 466 HG23 THR 63 2HG2 THR 63 3.890 6.897 -0.865 467 H ASN 64 H ASN 64 6.090 6.592 -2.962 468 HA ASN 64 HA ASN 64 5.511 3.734 -2.946 469 HB2 ASN 64 1HB ASN 64 8.110 5.258 -2.642 470 HB3 ASN 64 2HB ASN 64 7.979 3.502 -2.645 471 HD21 ASN 64 2HD2 ASN 64 7.782 6.400 -4.557 472 HD22 ASN 64 1HD2 ASN 64 7.812 5.620 -6.108 473 H VAL 65 H VAL 65 5.107 2.636 -1.153 474 HA VAL 65 HA VAL 65 5.396 4.001 1.418 475 HB VAL 65 HB VAL 65 3.978 1.402 0.806 476 HG11 VAL 65 1HG1 VAL 65 4.585 1.649 3.149 477 HG12 VAL 65 2HG1 VAL 65 2.839 1.793 2.939 478 HG13 VAL 65 3HG1 VAL 65 3.819 3.237 3.195 479 HG21 VAL 65 3HG2 VAL 65 2.870 4.202 0.975 480 HG22 VAL 65 1HG2 VAL 65 1.900 2.732 0.883 481 HG23 VAL 65 2HG2 VAL 65 2.948 3.180 -0.463 482 H ASP 66 H ASP 66 6.748 3.334 2.979 483 HA ASP 66 HA ASP 66 8.670 1.256 2.198 484 HB2 ASP 66 1HB ASP 66 9.453 3.616 2.613 485 HB3 ASP 66 2HB ASP 66 8.992 3.411 4.299 486 H PHE 67 H PHE 67 7.792 -0.627 2.982 487 HA PHE 67 HA PHE 67 6.895 -0.700 5.765 488 HB2 PHE 67 1HB PHE 67 6.653 -2.646 3.485 489 HB3 PHE 67 2HB PHE 67 6.281 -3.106 5.140 490 HD1 PHE 67 HD2 PHE 67 4.766 -1.068 6.288 491 HD2 PHE 67 HD1 PHE 67 4.794 -2.311 2.220 492 HE1 PHE 67 HE2 PHE 67 2.470 -0.229 6.022 493 HE2 PHE 67 HE1 PHE 67 2.496 -1.475 1.947 494 HZ PHE 67 HZ PHE 67 1.333 -0.440 3.850 495 H HIS 68 H HIS 68 7.776 -2.001 7.316 496 HA HIS 68 HA HIS 68 10.406 -3.179 6.663 497 HB2 HIS 68 1HB HIS 68 9.479 -1.873 9.231 498 HB3 HIS 68 2HB HIS 68 10.995 -2.754 9.064 499 HD1 HIS 68 HD1 HIS 68 12.854 -1.116 8.930 500 HD2 HIS 68 HD2 HIS 68 9.480 0.183 6.870 501 HE1 HIS 68 HE1 HIS 68 13.504 1.060 7.849 502 HE2 HIS 68 HE2 HIS 68 11.526 1.683 6.414 503 H TRP 69 H TRP 69 10.053 -5.278 6.438 504 HA TRP 69 HA TRP 69 8.370 -6.630 8.437 505 HB2 TRP 69 1HB TRP 69 7.256 -6.737 6.332 506 HB3 TRP 69 2HB TRP 69 8.741 -7.145 5.485 507 HD1 TRP 69 HD1 TRP 69 7.856 -9.087 8.653 508 HE1 TRP 69 HE1 TRP 69 7.290 -11.514 7.993 509 HE3 TRP 69 HE3 TRP 69 7.724 -8.535 3.572 510 HZ2 TRP 69 HZ2 TRP 69 6.849 -12.987 5.630 511 HZ3 TRP 69 HZ3 TRP 69 7.212 -10.501 2.186 512 HH2 TRP 69 HH2 TRP 69 6.771 -12.680 3.197 513 H THR 70 H THR 70 9.623 -7.649 9.835 514 HA THR 70 HA THR 70 12.247 -8.622 9.160 515 HB THR 70 HB THR 70 10.715 -9.197 11.701 516 HG1 THR 70 HG1 THR 70 11.054 -7.191 12.348 517 HG21 THR 70 3HG2 THR 70 13.667 -8.901 11.119 518 HG22 THR 70 1HG2 THR 70 12.813 -10.420 11.389 519 HG23 THR 70 2HG2 THR 70 12.956 -9.246 12.696 520 H LEU 71 H LEU 71 12.382 -10.444 7.945 521 HA LEU 71 HA LEU 71 10.316 -12.391 7.834 522 HB2 LEU 71 1HB LEU 71 12.605 -11.783 6.340 523 HB3 LEU 71 2HB LEU 71 12.869 -13.409 6.942 524 HG LEU 71 HG LEU 71 11.837 -13.520 4.766 525 HD11 LEU 71 1HD1 LEU 71 9.850 -14.208 6.908 526 HD12 LEU 71 2HD1 LEU 71 11.181 -15.227 6.356 527 HD13 LEU 71 3HD1 LEU 71 9.857 -14.834 5.258 528 HD21 LEU 71 3HD2 LEU 71 9.648 -11.843 5.941 529 HD22 LEU 71 1HD2 LEU 71 9.640 -12.576 4.338 530 HD23 LEU 71 2HD2 LEU 71 10.823 -11.329 4.731 531 H ASP 72 H ASP 72 9.856 -13.797 9.359 532 HA ASP 72 HA ASP 72 11.870 -14.672 11.247 533 HB2 ASP 72 1HB ASP 72 9.954 -16.034 12.208 534 HB3 ASP 72 2HB ASP 72 9.752 -14.289 12.242 535 H GLY 73 H GLY 73 10.063 -15.997 8.541 536 HA2 GLY 73 1HA GLY 73 10.896 -17.647 7.091 537 HA3 GLY 73 2HA GLY 73 12.073 -18.096 8.315 538 H THR 74 H THR 74 8.625 -17.759 8.905 539 HA THR 74 HA THR 74 8.470 -20.472 9.855 540 HB THR 74 HB THR 74 6.200 -18.520 9.431 541 HG1 THR 74 HG1 THR 74 7.649 -17.556 10.836 542 HG21 THR 74 3HG2 THR 74 5.466 -20.825 9.772 543 HG22 THR 74 1HG2 THR 74 5.083 -19.837 11.183 544 HG23 THR 74 2HG2 THR 74 6.460 -20.937 11.224 545 H ALA 75 H ALA 75 7.440 -18.694 7.001 546 HA ALA 75 HA ALA 75 6.430 -21.216 5.866 547 HB1 ALA 75 3HB ALA 75 4.639 -19.988 4.770 548 HB2 ALA 75 1HB ALA 75 5.201 -18.486 5.503 549 HB3 ALA 75 2HB ALA 75 4.559 -19.777 6.520 550 H ASN 76 H ASN 76 6.405 -21.285 3.519 551 HA ASN 76 HA ASN 76 8.742 -19.959 2.388 552 HB2 ASN 76 1HB ASN 76 6.953 -22.165 1.350 553 HB3 ASN 76 2HB ASN 76 8.305 -21.497 0.441 554 HD21 ASN 76 2HD2 ASN 76 7.352 -23.423 3.171 555 HD22 ASN 76 1HD2 ASN 76 8.916 -24.102 3.489 556 H SER 77 H SER 77 5.415 -19.518 2.526 557 HA SER 77 HA SER 77 5.607 -17.389 0.564 558 HB2 SER 77 1HB SER 77 3.410 -18.099 -0.464 559 HB3 SER 77 2HB SER 77 4.776 -19.145 -0.837 560 HG SER 77 HG SER 77 3.851 -20.235 1.261 561 H TYR 78 H TYR 78 4.377 -15.641 1.067 562 HA TYR 78 HA TYR 78 2.616 -15.857 3.423 563 HB2 TYR 78 1HB TYR 78 4.663 -13.723 2.792 564 HB3 TYR 78 2HB TYR 78 3.405 -13.521 3.999 565 HD1 TYR 78 HD1 TYR 78 6.271 -15.745 3.114 566 HD2 TYR 78 HD2 TYR 78 3.804 -14.155 6.195 567 HE1 TYR 78 HE1 TYR 78 7.750 -16.741 4.807 568 HE2 TYR 78 HE2 TYR 78 5.274 -15.152 7.894 569 HH TYR 78 HH TYR 78 6.998 -16.533 8.265 570 H THR 79 H THR 79 0.662 -14.887 3.203 571 HA THR 79 HA THR 79 0.070 -13.609 0.660 572 HB THR 79 HB THR 79 -1.848 -14.214 2.924 573 HG1 THR 79 HG1 THR 79 -2.314 -16.008 1.223 574 HG21 THR 79 3HG2 THR 79 -3.547 -14.115 1.155 575 HG22 THR 79 1HG2 THR 79 -2.297 -13.716 -0.024 576 HG23 THR 79 2HG2 THR 79 -2.670 -12.590 1.282 577 H LEU 80 H LEU 80 1.009 -11.593 0.797 578 HA LEU 80 HA LEU 80 0.442 -9.906 3.086 579 HB2 LEU 80 1HB LEU 80 2.313 -9.807 0.798 580 HB3 LEU 80 2HB LEU 80 1.767 -8.264 1.426 581 HG LEU 80 HG LEU 80 2.611 -8.864 3.653 582 HD11 LEU 80 1HD1 LEU 80 3.621 -11.366 2.313 583 HD12 LEU 80 2HD1 LEU 80 2.348 -11.278 3.531 584 HD13 LEU 80 3HD1 LEU 80 4.003 -10.844 3.954 585 HD21 LEU 80 3HD2 LEU 80 4.992 -8.745 3.129 586 HD22 LEU 80 1HD2 LEU 80 4.051 -7.658 2.108 587 HD23 LEU 80 2HD2 LEU 80 4.647 -9.185 1.455 588 H THR 81 H THR 81 -0.875 -8.191 3.102 589 HA THR 81 HA THR 81 -2.312 -7.535 0.622 590 HB THR 81 HB THR 81 -3.617 -7.737 3.345 591 HG1 THR 81 HG1 THR 81 -2.884 -9.711 1.741 592 HG21 THR 81 3HG2 THR 81 -4.716 -6.196 1.799 593 HG22 THR 81 1HG2 THR 81 -5.701 -7.640 2.044 594 HG23 THR 81 2HG2 THR 81 -4.761 -7.454 0.563 595 H VAL 82 H VAL 82 -1.820 -5.484 0.175 596 HA VAL 82 HA VAL 82 -1.324 -3.580 2.324 597 HB VAL 82 HB VAL 82 -1.323 -3.139 -0.673 598 HG11 VAL 82 1HG1 VAL 82 -1.763 -1.088 0.562 599 HG12 VAL 82 2HG1 VAL 82 -0.153 -1.050 -0.157 600 HG13 VAL 82 3HG1 VAL 82 -0.341 -1.373 1.567 601 HG21 VAL 82 3HG2 VAL 82 0.436 -4.681 0.007 602 HG22 VAL 82 1HG2 VAL 82 0.983 -3.532 1.230 603 HG23 VAL 82 2HG2 VAL 82 1.116 -3.128 -0.483 604 H ASN 83 H ASN 83 -3.138 -2.924 3.319 605 HA ASN 83 HA ASN 83 -5.542 -2.465 1.716 606 HB2 ASN 83 1HB ASN 83 -5.638 -3.765 3.876 607 HB3 ASN 83 2HB ASN 83 -5.252 -2.270 4.720 608 HD21 ASN 83 2HD2 ASN 83 -7.224 -2.413 5.827 609 HD22 ASN 83 1HD2 ASN 83 -8.727 -2.010 5.067 610 H VAL 84 H VAL 84 -5.715 -0.558 0.816 611 HA VAL 84 HA VAL 84 -4.320 1.731 1.884 612 HB VAL 84 HB VAL 84 -6.050 1.429 -0.574 613 HG11 VAL 84 1HG1 VAL 84 -5.187 3.618 -1.250 614 HG12 VAL 84 2HG1 VAL 84 -4.377 3.779 0.309 615 HG13 VAL 84 3HG1 VAL 84 -6.138 3.726 0.232 616 HG21 VAL 84 3HG2 VAL 84 -3.063 1.639 -0.216 617 HG22 VAL 84 1HG2 VAL 84 -3.906 1.610 -1.766 618 HG23 VAL 84 2HG2 VAL 84 -3.963 0.202 -0.705 619 H ASP 85 H ASP 85 -5.103 2.862 3.401 620 HA ASP 85 HA ASP 85 -6.404 4.081 4.742 621 HB2 ASP 85 1HB ASP 85 -6.792 5.327 2.624 622 HB3 ASP 85 2HB ASP 85 -8.252 4.372 2.374 623 HA PRO 86 HA PRO 86 -9.312 0.626 5.696 624 HB2 PRO 86 1HB PRO 86 -7.903 0.517 8.242 625 HB3 PRO 86 2HB PRO 86 -8.117 -0.757 7.041 626 HG2 PRO 86 1HG PRO 86 -5.714 0.404 7.551 627 HG3 PRO 86 2HG PRO 86 -6.153 -0.261 5.968 628 HD2 PRO 86 1HD PRO 86 -6.149 2.586 6.894 629 HD3 PRO 86 2HD PRO 86 -5.632 1.907 5.336 630 H GLU 87 H GLU 87 -8.232 3.570 7.077 631 HA GLU 87 HA GLU 87 -10.263 3.625 9.150 632 HB2 GLU 87 1HB GLU 87 -8.231 5.720 8.347 633 HB3 GLU 87 2HB GLU 87 -9.251 5.772 9.779 634 HG2 GLU 87 1HG GLU 87 -8.170 3.711 10.588 635 HG3 GLU 87 2HG GLU 87 -7.108 3.743 9.184 636 H ASN 88 H ASN 88 -9.938 4.464 5.899 637 HA ASN 88 HA ASN 88 -11.319 5.429 4.392 638 HB2 ASN 88 1HB ASN 88 -13.142 4.750 6.612 639 HB3 ASN 88 2HB ASN 88 -13.737 5.977 5.501 640 HD21 ASN 88 2HD2 ASN 88 -11.548 3.483 4.430 641 HD22 ASN 88 1HD2 ASN 88 -12.707 2.601 3.494 642 H ALA 89 H ALA 89 -9.556 7.080 5.559 643 HA ALA 89 HA ALA 89 -10.819 9.487 6.512 644 HB1 ALA 89 3HB ALA 89 -7.988 9.008 5.583 645 HB2 ALA 89 1HB ALA 89 -8.566 8.878 7.244 646 HB3 ALA 89 2HB ALA 89 -8.572 10.442 6.428 647 H VAL 90 H VAL 90 -9.980 8.102 3.462 648 HA VAL 90 HA VAL 90 -10.725 10.637 2.136 649 HB VAL 90 HB VAL 90 -9.053 8.454 0.875 650 HG11 VAL 90 1HG1 VAL 90 -10.218 9.919 -0.683 651 HG12 VAL 90 2HG1 VAL 90 -8.478 10.194 -0.741 652 HG13 VAL 90 3HG1 VAL 90 -9.524 11.332 0.108 653 HG21 VAL 90 3HG2 VAL 90 -8.087 10.990 2.195 654 HG22 VAL 90 1HG2 VAL 90 -7.093 9.864 1.270 655 HG23 VAL 90 2HG2 VAL 90 -7.831 9.347 2.786 656 H ASN 91 H ASN 91 -12.258 10.532 0.497 657 HA ASN 91 HA ASN 91 -13.867 8.100 0.457 658 HB2 ASN 91 1HB ASN 91 -14.908 10.377 0.731 659 HB3 ASN 91 2HB ASN 91 -14.417 10.743 -0.917 660 HD21 ASN 91 2HD2 ASN 91 -17.066 10.475 0.441 661 HD22 ASN 91 1HD2 ASN 91 -17.959 9.362 -0.548 662 H GLU 92 H GLU 92 -13.166 6.590 -0.890 663 HA GLU 92 HA GLU 92 -11.813 7.379 -3.353 664 HB2 GLU 92 1HB GLU 92 -11.871 4.806 -1.796 665 HB3 GLU 92 2HB GLU 92 -11.144 4.940 -3.394 666 HG2 GLU 92 1HG GLU 92 -10.334 6.450 -0.923 667 HG3 GLU 92 2HG GLU 92 -9.443 5.144 -1.710 668 H GLY 93 H GLY 93 -12.328 6.637 -5.338 669 HA2 GLY 93 1HA GLY 93 -14.967 6.097 -6.067 670 HA3 GLY 93 2HA GLY 93 -13.557 5.795 -7.067 671 H ASN 94 H ASN 94 -12.863 3.764 -7.374 672 HA ASN 94 HA ASN 94 -14.632 1.625 -6.686 673 HB2 ASN 94 1HB ASN 94 -11.988 1.726 -8.134 674 HB3 ASN 94 2HB ASN 94 -12.841 0.215 -7.832 675 HD21 ASN 94 2HD2 ASN 94 -12.177 1.612 -10.340 676 HD22 ASN 94 1HD2 ASN 94 -13.684 1.821 -11.169 677 H GLU 95 H GLU 95 -14.690 0.920 -4.642 678 HA GLU 95 HA GLU 95 -12.472 0.952 -2.880 679 HB2 GLU 95 1HB GLU 95 -15.085 -0.553 -2.700 680 HB3 GLU 95 2HB GLU 95 -13.915 -0.421 -1.394 681 HG2 GLU 95 1HG GLU 95 -14.194 2.062 -1.513 682 HG3 GLU 95 2HG GLU 95 -15.518 1.791 -2.646 683 H SER 96 H SER 96 -13.286 -1.118 -5.396 684 HA SER 96 HA SER 96 -12.231 -3.565 -4.415 685 HB2 SER 96 1HB SER 96 -12.385 -2.680 -7.302 686 HB3 SER 96 2HB SER 96 -12.391 -4.332 -6.683 687 HG SER 96 HG SER 96 -14.456 -2.607 -7.025 688 H ASN 97 H ASN 97 -10.755 -0.666 -5.122 689 HA ASN 97 HA ASN 97 -8.263 -1.862 -6.078 690 HB2 ASN 97 1HB ASN 97 -9.104 1.025 -5.767 691 HB3 ASN 97 2HB ASN 97 -7.526 0.508 -6.349 692 HD21 ASN 97 2HD2 ASN 97 -9.602 2.087 -7.660 693 HD22 ASN 97 1HD2 ASN 97 -9.963 1.240 -9.124 694 H ASN 98 H ASN 98 -9.720 -0.711 -3.202 695 HA ASN 98 HA ASN 98 -7.553 0.520 -1.935 696 HB2 ASN 98 1HB ASN 98 -10.007 -0.829 -0.828 697 HB3 ASN 98 2HB ASN 98 -8.815 -0.050 0.205 698 HD21 ASN 98 2HD2 ASN 98 -8.685 2.165 0.266 699 HD22 ASN 98 1HD2 ASN 98 -9.851 3.196 -0.494 700 H THR 99 H THR 99 -8.403 -2.896 -2.130 701 HA THR 99 HA THR 99 -6.192 -3.468 -0.295 702 HB THR 99 HB THR 99 -7.459 -5.876 -0.925 703 HG1 THR 99 HG1 THR 99 -9.399 -3.905 -0.199 704 HG21 THR 99 3HG2 THR 99 -7.765 -4.082 1.484 705 HG22 THR 99 1HG2 THR 99 -6.493 -5.277 1.234 706 HG23 THR 99 2HG2 THR 99 -8.166 -5.798 1.429 707 H LEU 100 H LEU 100 -4.348 -4.138 -1.046 708 HA LEU 100 HA LEU 100 -4.205 -5.365 -3.719 709 HB2 LEU 100 1HB LEU 100 -2.803 -3.391 -3.535 710 HB3 LEU 100 2HB LEU 100 -2.086 -3.996 -2.055 711 HG LEU 100 HG LEU 100 -1.177 -5.924 -3.446 712 HD11 LEU 100 1HD1 LEU 100 -2.602 -5.695 -5.383 713 HD12 LEU 100 2HD1 LEU 100 -0.914 -5.472 -5.844 714 HD13 LEU 100 3HD1 LEU 100 -1.975 -4.074 -5.684 715 HD21 LEU 100 3HD2 LEU 100 0.713 -4.600 -4.243 716 HD22 LEU 100 1HD2 LEU 100 0.208 -4.105 -2.628 717 HD23 LEU 100 2HD2 LEU 100 -0.231 -3.125 -4.027 718 H THR 101 H THR 101 -4.571 -7.484 -3.308 719 HA THR 101 HA THR 101 -3.199 -8.778 -1.094 720 HB THR 101 HB THR 101 -5.078 -10.047 -3.099 721 HG1 THR 101 HG1 THR 101 -5.969 -9.424 -0.525 722 HG21 THR 101 3HG2 THR 101 -5.389 -11.724 -1.329 723 HG22 THR 101 1HG2 THR 101 -4.220 -10.871 -0.318 724 HG23 THR 101 2HG2 THR 101 -3.700 -11.624 -1.826 725 H ALA 102 H ALA 102 -1.078 -8.893 -1.654 726 HA ALA 102 HA ALA 102 -0.426 -10.287 -4.164 727 HB1 ALA 102 3HB ALA 102 1.743 -9.174 -4.091 728 HB2 ALA 102 1HB ALA 102 1.294 -8.376 -2.583 729 HB3 ALA 102 2HB ALA 102 0.432 -7.994 -4.072 730 H LEU 103 H LEU 103 0.030 -12.336 -3.800 731 HA LEU 103 HA LEU 103 0.940 -13.238 -1.211 732 HB2 LEU 103 1HB LEU 103 -0.693 -14.444 -2.795 733 HB3 LEU 103 2HB LEU 103 0.725 -14.893 -3.721 734 HG LEU 103 HG LEU 103 0.421 -15.592 -0.803 735 HD11 LEU 103 1HD1 LEU 103 -0.333 -17.795 -1.530 736 HD12 LEU 103 2HD1 LEU 103 -0.351 -17.241 -3.204 737 HD13 LEU 103 3HD1 LEU 103 -1.463 -16.537 -2.031 738 HD21 LEU 103 3HD2 LEU 103 2.034 -17.370 -1.417 739 HD22 LEU 103 1HD2 LEU 103 2.686 -15.744 -1.622 740 HD23 LEU 103 2HD2 LEU 103 2.152 -16.665 -3.029 741 H VAL 104 H VAL 104 2.986 -12.782 -0.751 742 HA VAL 104 HA VAL 104 4.994 -12.844 -2.869 743 HB VAL 104 HB VAL 104 6.478 -11.709 -1.331 744 HG11 VAL 104 1HG1 VAL 104 5.259 -9.628 -0.996 745 HG12 VAL 104 2HG1 VAL 104 3.726 -10.473 -1.215 746 HG13 VAL 104 3HG1 VAL 104 4.862 -10.338 -2.560 747 HG21 VAL 104 3HG2 VAL 104 5.718 -11.047 0.931 748 HG22 VAL 104 1HG2 VAL 104 5.913 -12.790 0.746 749 HG23 VAL 104 2HG2 VAL 104 4.302 -12.076 0.722 750 H GLY 105 H GLY 105 6.950 -14.063 -2.631 751 HA2 GLY 105 1HA GLY 105 6.548 -16.392 -0.844 752 HA3 GLY 105 2HA GLY 105 7.175 -16.536 -2.481 753 H THR 106 H THR 106 8.603 -17.614 -0.443 754 HA THR 106 HA THR 106 10.763 -15.750 0.112 755 HB THR 106 HB THR 106 11.841 -17.711 1.218 756 HG1 THR 106 HG1 THR 106 10.013 -19.054 -0.180 757 HG21 THR 106 3HG2 THR 106 10.252 -17.837 3.095 758 HG22 THR 106 1HG2 THR 106 9.009 -17.105 2.080 759 HG23 THR 106 2HG2 THR 106 10.449 -16.184 2.514 760 H LEU 107 H LEU 107 12.596 -15.605 -1.045 761 HA LEU 107 HA LEU 107 12.656 -16.523 -3.678 762 HB2 LEU 107 1HB LEU 107 13.920 -14.573 -2.625 763 HB3 LEU 107 2HB LEU 107 15.097 -15.757 -2.093 764 HG LEU 107 HG LEU 107 15.547 -16.362 -4.432 765 HD11 LEU 107 1HD1 LEU 107 13.370 -15.857 -5.386 766 HD12 LEU 107 2HD1 LEU 107 14.648 -14.993 -6.243 767 HD13 LEU 107 3HD1 LEU 107 13.627 -14.138 -5.086 768 HD21 LEU 107 3HD2 LEU 107 16.903 -14.649 -3.361 769 HD22 LEU 107 1HD2 LEU 107 15.749 -13.411 -3.859 770 HD23 LEU 107 2HD2 LEU 107 16.680 -14.289 -5.073 771 H GLU 108 H GLU 108 13.437 -18.337 -4.644 772 HA GLU 108 HA GLU 108 13.792 -20.525 -2.817 773 HB2 GLU 108 1HB GLU 108 12.320 -20.577 -4.863 774 HB3 GLU 108 2HB GLU 108 13.789 -20.646 -5.827 775 HG2 GLU 108 1HG GLU 108 12.878 -22.854 -5.550 776 HG3 GLU 108 2HG GLU 108 14.415 -22.730 -4.695 777 H HIS 109 H HIS 109 15.642 -19.302 -5.624 778 HA HIS 109 HA HIS 109 17.837 -21.045 -5.184 779 HB2 HIS 109 1HB HIS 109 17.160 -19.832 -7.352 780 HB3 HIS 109 2HB HIS 109 18.034 -18.450 -6.700 781 HD1 HIS 109 HD1 HIS 109 19.684 -18.714 -8.756 782 HD2 HIS 109 HD2 HIS 109 19.675 -21.879 -6.051 783 HE1 HIS 109 HE1 HIS 109 21.745 -20.060 -9.272 784 HE2 HIS 109 HE2 HIS 109 21.643 -22.047 -7.723 785 H HIS 110 H HIS 110 16.972 -18.005 -3.832 786 HA HIS 110 HA HIS 110 19.376 -18.192 -2.143 787 HB2 HIS 110 1HB HIS 110 18.042 -15.694 -3.193 788 HB3 HIS 110 2HB HIS 110 19.035 -15.672 -1.745 789 HD1 HIS 110 HD1 HIS 110 21.108 -17.805 -3.271 790 HD2 HIS 110 HD2 HIS 110 19.923 -13.978 -4.389 791 HE1 HIS 110 HE1 HIS 110 22.939 -16.928 -4.751 792 HE2 HIS 110 HE2 HIS 110 22.327 -14.518 -5.166 793 H HIS 111 H HIS 111 18.153 -19.489 -0.707 794 HA HIS 111 HA HIS 111 15.548 -18.446 0.086 795 HB2 HIS 111 1HB HIS 111 16.238 -20.953 -0.566 796 HB3 HIS 111 2HB HIS 111 16.490 -21.034 1.177 797 HD1 HIS 111 HD1 HIS 111 14.043 -21.994 -1.008 798 HD2 HIS 111 HD2 HIS 111 13.933 -19.513 2.324 799 HE1 HIS 111 HE1 HIS 111 11.643 -21.941 -0.284 800 HE2 HIS 111 HE2 HIS 111 11.569 -20.248 1.569 801 H HIS 112 H HIS 112 18.046 -20.165 1.998 802 HA HIS 112 HA HIS 112 17.404 -18.246 4.124 803 HB2 HIS 112 1HB HIS 112 16.975 -20.606 4.703 804 HB3 HIS 112 2HB HIS 112 18.674 -20.974 4.419 805 HD1 HIS 112 HD1 HIS 112 17.015 -18.198 6.454 806 HD2 HIS 112 HD2 HIS 112 19.813 -21.250 6.856 807 HE1 HIS 112 HE1 HIS 112 17.906 -17.992 8.793 808 HE2 HIS 112 HE2 HIS 112 19.737 -19.721 8.941 809 H HIS 113 H HIS 113 18.742 -16.669 3.264 810 HA HIS 113 HA HIS 113 21.586 -17.076 3.107 811 HB2 HIS 113 1HB HIS 113 20.447 -15.438 1.665 812 HB3 HIS 113 2HB HIS 113 19.914 -14.547 3.082 813 HD1 HIS 113 HD1 HIS 113 21.355 -12.643 3.741 814 HD2 HIS 113 HD2 HIS 113 23.409 -15.437 1.443 815 HE1 HIS 113 HE1 HIS 113 23.627 -11.649 3.336 816 HE2 HIS 113 HE2 HIS 113 24.753 -13.242 1.742 817 H HIS 114 H HIS 114 23.132 -16.269 4.586 818 HA HIS 114 HA HIS 114 22.041 -15.546 7.208 819 HB2 HIS 114 1HB HIS 114 24.284 -16.146 8.128 820 HB3 HIS 114 2HB HIS 114 23.429 -17.498 7.401 821 HD1 HIS 114 HD1 HIS 114 24.570 -18.719 5.508 822 HD2 HIS 114 HD2 HIS 114 26.566 -15.244 6.637 823 HE1 HIS 114 HE1 HIS 114 26.783 -18.781 4.312 824 HE2 HIS 114 HE2 HIS 114 27.882 -16.578 4.856 Start of MODEL 19 1 H1 MET 1 1H MET 1 -16.370 14.705 -6.825 2 H2 MET 1 2H MET 1 -16.087 13.534 -8.021 3 H3 MET 1 3H MET 1 -16.182 15.172 -8.449 4 HA MET 1 HA MET 1 -13.904 14.426 -8.435 5 HB2 MET 1 1HB MET 1 -14.669 16.321 -6.207 6 HB3 MET 1 2HB MET 1 -13.016 16.087 -6.756 7 HG2 MET 1 1HG MET 1 -15.218 16.927 -8.611 8 HG3 MET 1 2HG MET 1 -14.275 18.085 -7.675 9 HE1 MET 1 3HE MET 1 -11.748 18.614 -8.061 10 HE2 MET 1 1HE MET 1 -10.691 17.649 -9.093 11 HE3 MET 1 2HE MET 1 -11.391 16.939 -7.638 12 H ILE 2 H ILE 2 -13.974 12.170 -7.816 13 HA ILE 2 HA ILE 2 -13.237 11.746 -4.998 14 HB ILE 2 HB ILE 2 -14.977 10.247 -6.824 15 HG12 ILE 2 1HG1 ILE 2 -14.610 10.256 -3.828 16 HG13 ILE 2 2HG1 ILE 2 -15.762 11.228 -4.739 17 HG21 ILE 2 1HG2 ILE 2 -14.433 8.023 -5.951 18 HG22 ILE 2 2HG2 ILE 2 -13.016 8.694 -5.144 19 HG23 ILE 2 3HG2 ILE 2 -13.113 8.700 -6.905 20 HD11 ILE 2 3HD1 ILE 2 -16.859 9.339 -3.697 21 HD12 ILE 2 1HD1 ILE 2 -15.755 8.226 -4.507 22 HD13 ILE 2 2HD1 ILE 2 -16.900 9.179 -5.454 23 HA PRO 3 HA PRO 3 -9.412 10.139 -6.690 24 HB2 PRO 3 1HB PRO 3 -8.347 9.521 -4.202 25 HB3 PRO 3 2HB PRO 3 -8.233 11.095 -4.991 26 HG2 PRO 3 1HG PRO 3 -9.678 10.418 -2.622 27 HG3 PRO 3 2HG PRO 3 -9.599 11.988 -3.435 28 HD2 PRO 3 1HD PRO 3 -11.707 9.918 -3.539 29 HD3 PRO 3 2HD PRO 3 -11.813 11.660 -3.870 30 H ASP 4 H ASP 4 -8.334 8.098 -6.794 31 HA ASP 4 HA ASP 4 -9.714 5.856 -5.531 32 HB2 ASP 4 1HB ASP 4 -10.694 6.141 -7.791 33 HB3 ASP 4 2HB ASP 4 -9.084 6.052 -8.492 34 H LEU 5 H LEU 5 -8.093 5.017 -4.342 35 HA LEU 5 HA LEU 5 -5.366 5.414 -5.351 36 HB2 LEU 5 1HB LEU 5 -6.205 4.543 -2.585 37 HB3 LEU 5 2HB LEU 5 -4.642 5.162 -3.079 38 HG LEU 5 HG LEU 5 -7.180 6.799 -3.051 39 HD11 LEU 5 1HD1 LEU 5 -6.565 6.139 -0.790 40 HD12 LEU 5 2HD1 LEU 5 -6.263 7.857 -1.050 41 HD13 LEU 5 3HD1 LEU 5 -4.919 6.714 -1.059 42 HD21 LEU 5 3HD2 LEU 5 -4.288 7.582 -3.365 43 HD22 LEU 5 1HD2 LEU 5 -5.656 8.692 -3.269 44 HD23 LEU 5 2HD2 LEU 5 -5.509 7.588 -4.638 45 H VAL 6 H VAL 6 -4.235 3.737 -6.041 46 HA VAL 6 HA VAL 6 -5.240 1.040 -5.396 47 HB VAL 6 HB VAL 6 -3.956 1.785 -8.019 48 HG11 VAL 6 1HG1 VAL 6 -5.084 -0.232 -8.828 49 HG12 VAL 6 2HG1 VAL 6 -5.738 -0.508 -7.214 50 HG13 VAL 6 3HG1 VAL 6 -3.997 -0.581 -7.484 51 HG21 VAL 6 3HG2 VAL 6 -6.917 1.764 -7.434 52 HG22 VAL 6 1HG2 VAL 6 -6.173 1.996 -9.015 53 HG23 VAL 6 2HG2 VAL 6 -5.943 3.202 -7.745 54 HA PRO 7 HA PRO 7 -0.824 0.273 -4.846 55 HB2 PRO 7 1HB PRO 7 -1.331 -2.313 -3.848 56 HB3 PRO 7 2HB PRO 7 -1.091 -0.853 -2.890 57 HG2 PRO 7 1HG PRO 7 -3.467 -2.329 -3.075 58 HG3 PRO 7 2HG PRO 7 -3.306 -0.690 -2.422 59 HD2 PRO 7 1HD PRO 7 -4.193 -1.574 -5.138 60 HD3 PRO 7 2HD PRO 7 -4.765 -0.209 -4.147 61 H VAL 8 H VAL 8 -0.073 0.034 -6.899 62 HA VAL 8 HA VAL 8 -1.231 -1.919 -8.667 63 HB VAL 8 HB VAL 8 0.325 -1.030 -10.369 64 HG11 VAL 8 1HG1 VAL 8 -1.859 -0.005 -10.062 65 HG12 VAL 8 2HG1 VAL 8 -0.660 1.213 -10.495 66 HG13 VAL 8 3HG1 VAL 8 -1.200 1.063 -8.823 67 HG21 VAL 8 3HG2 VAL 8 2.214 -0.473 -8.938 68 HG22 VAL 8 1HG2 VAL 8 1.261 0.781 -8.143 69 HG23 VAL 8 2HG2 VAL 8 1.689 0.944 -9.847 70 H SER 9 H SER 9 1.636 -1.698 -6.716 71 HA SER 9 HA SER 9 2.343 -4.407 -7.396 72 HB2 SER 9 1HB SER 9 3.429 -3.125 -9.207 73 HB3 SER 9 2HB SER 9 4.268 -2.148 -8.003 74 HG SER 9 HG SER 9 5.716 -3.667 -8.461 75 H LEU 10 H LEU 10 3.615 -5.377 -5.865 76 HA LEU 10 HA LEU 10 4.726 -3.680 -3.733 77 HB2 LEU 10 1HB LEU 10 2.875 -4.745 -2.717 78 HB3 LEU 10 2HB LEU 10 3.173 -6.252 -3.558 79 HG LEU 10 HG LEU 10 5.233 -6.541 -2.157 80 HD11 LEU 10 1HD1 LEU 10 4.075 -4.217 -0.632 81 HD12 LEU 10 2HD1 LEU 10 5.608 -4.239 -1.505 82 HD13 LEU 10 3HD1 LEU 10 5.387 -5.259 -0.082 83 HD21 LEU 10 3HD2 LEU 10 3.160 -7.706 -1.658 84 HD22 LEU 10 1HD2 LEU 10 2.599 -6.330 -0.709 85 HD23 LEU 10 2HD2 LEU 10 4.000 -7.258 -0.174 86 H THR 11 H THR 11 6.850 -3.932 -3.548 87 HA THR 11 HA THR 11 8.056 -6.439 -4.503 88 HB THR 11 HB THR 11 8.451 -4.436 -5.993 89 HG1 THR 11 HG1 THR 11 9.985 -5.858 -6.380 90 HG21 THR 11 3HG2 THR 11 10.083 -3.512 -3.641 91 HG22 THR 11 1HG2 THR 11 8.667 -2.712 -4.325 92 HG23 THR 11 2HG2 THR 11 10.158 -2.821 -5.262 93 HA PRO 12 HA PRO 12 10.170 -7.149 -4.528 94 HB2 PRO 12 1HB PRO 12 11.535 -9.135 -3.354 95 HB3 PRO 12 2HB PRO 12 12.228 -7.518 -3.536 96 HG2 PRO 12 1HG PRO 12 10.987 -8.789 -1.130 97 HG3 PRO 12 2HG PRO 12 12.434 -7.771 -1.238 98 HD2 PRO 12 1HD PRO 12 9.952 -6.868 -0.464 99 HD3 PRO 12 2HD PRO 12 11.220 -5.840 -1.159 100 H VAL 13 H VAL 13 9.329 -8.953 -5.502 101 HA VAL 13 HA VAL 13 6.988 -10.119 -4.386 102 HB VAL 13 HB VAL 13 6.955 -11.579 -6.362 103 HG11 VAL 13 1HG1 VAL 13 6.050 -9.331 -6.544 104 HG12 VAL 13 2HG1 VAL 13 6.799 -9.819 -8.065 105 HG13 VAL 13 3HG1 VAL 13 7.640 -8.708 -6.983 106 HG21 VAL 13 3HG2 VAL 13 9.339 -12.024 -6.575 107 HG22 VAL 13 1HG2 VAL 13 9.629 -10.340 -7.012 108 HG23 VAL 13 2HG2 VAL 13 8.691 -11.379 -8.084 109 H THR 14 H THR 14 10.323 -10.984 -4.291 110 HA THR 14 HA THR 14 9.612 -13.363 -2.731 111 HB THR 14 HB THR 14 12.129 -13.931 -3.429 112 HG1 THR 14 HG1 THR 14 12.447 -12.178 -4.799 113 HG21 THR 14 3HG2 THR 14 10.211 -15.413 -3.719 114 HG22 THR 14 1HG2 THR 14 11.225 -15.413 -5.161 115 HG23 THR 14 2HG2 THR 14 9.713 -14.501 -5.143 116 H VAL 15 H VAL 15 10.436 -13.448 -0.691 117 HA VAL 15 HA VAL 15 12.152 -11.175 0.087 118 HB VAL 15 HB VAL 15 11.101 -11.333 2.335 119 HG11 VAL 15 1HG1 VAL 15 9.202 -10.864 0.039 120 HG12 VAL 15 2HG1 VAL 15 10.330 -9.689 0.714 121 HG13 VAL 15 3HG1 VAL 15 8.984 -10.282 1.690 122 HG21 VAL 15 3HG2 VAL 15 10.359 -13.655 2.246 123 HG22 VAL 15 1HG2 VAL 15 9.216 -13.252 0.964 124 HG23 VAL 15 2HG2 VAL 15 9.002 -12.578 2.580 125 H VAL 16 H VAL 16 13.757 -11.486 1.647 126 HA VAL 16 HA VAL 16 14.675 -14.241 1.873 127 HB VAL 16 HB VAL 16 16.778 -13.074 2.769 128 HG11 VAL 16 1HG1 VAL 16 15.928 -12.651 -0.087 129 HG12 VAL 16 2HG1 VAL 16 16.651 -14.117 0.577 130 HG13 VAL 16 3HG1 VAL 16 17.590 -12.626 0.503 131 HG21 VAL 16 3HG2 VAL 16 15.804 -10.885 3.200 132 HG22 VAL 16 1HG2 VAL 16 15.430 -10.706 1.486 133 HG23 VAL 16 2HG2 VAL 16 17.111 -10.766 2.019 134 HA PRO 17 HA PRO 17 13.433 -14.117 6.209 135 HB2 PRO 17 1HB PRO 17 14.420 -16.865 6.240 136 HB3 PRO 17 2HB PRO 17 12.783 -16.272 6.526 137 HG2 PRO 17 1HG PRO 17 13.460 -17.683 4.315 138 HG3 PRO 17 2HG PRO 17 12.190 -16.446 4.313 139 HD2 PRO 17 1HD PRO 17 15.021 -16.261 3.348 140 HD3 PRO 17 2HD PRO 17 13.537 -15.607 2.621 141 H ASN 18 H ASN 18 15.095 -12.741 6.866 142 HA ASN 18 HA ASN 18 17.465 -13.924 7.964 143 HB2 ASN 18 1HB ASN 18 18.149 -13.883 5.635 144 HB3 ASN 18 2HB ASN 18 17.669 -12.198 5.487 145 HD21 ASN 18 2HD2 ASN 18 20.030 -14.412 6.720 146 HD22 ASN 18 1HD2 ASN 18 21.250 -13.224 7.074 147 H THR 19 H THR 19 15.785 -11.011 6.941 148 HA THR 19 HA THR 19 16.667 -9.630 9.351 149 HB THR 19 HB THR 19 18.374 -9.147 7.608 150 HG1 THR 19 HG1 THR 19 17.856 -6.704 7.617 151 HG21 THR 19 3HG2 THR 19 16.959 -9.358 5.631 152 HG22 THR 19 1HG2 THR 19 17.768 -7.791 5.657 153 HG23 THR 19 2HG2 THR 19 16.066 -7.912 6.102 154 H VAL 20 H VAL 20 15.685 -7.158 8.924 155 HA VAL 20 HA VAL 20 12.838 -7.554 8.540 156 HB VAL 20 HB VAL 20 14.346 -5.000 9.146 157 HG11 VAL 20 1HG1 VAL 20 11.400 -5.652 9.293 158 HG12 VAL 20 2HG1 VAL 20 12.177 -4.575 8.130 159 HG13 VAL 20 3HG1 VAL 20 12.144 -4.148 9.842 160 HG21 VAL 20 3HG2 VAL 20 14.621 -6.651 10.918 161 HG22 VAL 20 1HG2 VAL 20 12.872 -6.869 10.994 162 HG23 VAL 20 2HG2 VAL 20 13.588 -5.322 11.447 163 H ASN 21 H ASN 21 11.935 -7.407 6.633 164 HA ASN 21 HA ASN 21 13.499 -6.370 4.404 165 HB2 ASN 21 1HB ASN 21 10.865 -7.867 4.374 166 HB3 ASN 21 2HB ASN 21 11.916 -7.562 2.995 167 HD21 ASN 21 2HD2 ASN 21 13.634 -8.903 2.624 168 HD22 ASN 21 1HD2 ASN 21 13.979 -10.294 3.598 169 H THR 22 H THR 22 13.184 -4.342 3.777 170 HA THR 22 HA THR 22 10.807 -2.920 4.550 171 HB THR 22 HB THR 22 13.079 -1.987 2.780 172 HG1 THR 22 HG1 THR 22 13.865 -2.405 4.861 173 HG21 THR 22 3HG2 THR 22 11.022 -0.687 2.506 174 HG22 THR 22 1HG2 THR 22 12.265 0.254 3.328 175 HG23 THR 22 2HG2 THR 22 10.937 -0.449 4.251 176 H MET 23 H MET 23 9.072 -3.691 3.534 177 HA MET 23 HA MET 23 9.105 -4.464 0.763 178 HB2 MET 23 1HB MET 23 6.794 -4.223 2.701 179 HB3 MET 23 2HB MET 23 6.732 -4.994 1.122 180 HG2 MET 23 1HG MET 23 8.441 -5.889 3.431 181 HG3 MET 23 2HG MET 23 6.906 -6.610 2.952 182 HE1 MET 23 3HE MET 23 6.529 -7.963 0.725 183 HE2 MET 23 1HE MET 23 7.752 -8.139 -0.533 184 HE3 MET 23 2HE MET 23 7.051 -6.555 -0.200 185 H THR 24 H THR 24 8.597 -3.245 -0.931 186 HA THR 24 HA THR 24 7.674 -0.510 -0.387 187 HB THR 24 HB THR 24 9.031 -1.527 -2.887 188 HG1 THR 24 HG1 THR 24 10.180 -0.173 -0.636 189 HG21 THR 24 3HG2 THR 24 7.771 0.554 -3.159 190 HG22 THR 24 1HG2 THR 24 9.506 0.847 -3.267 191 HG23 THR 24 2HG2 THR 24 8.634 1.262 -1.792 192 H ALA 25 H ALA 25 5.563 -0.265 -0.692 193 HA ALA 25 HA ALA 25 4.264 -1.653 -2.936 194 HB1 ALA 25 3HB ALA 25 3.024 -0.241 -0.574 195 HB2 ALA 25 1HB ALA 25 3.227 -1.985 -0.742 196 HB3 ALA 25 2HB ALA 25 2.152 -1.113 -1.834 197 H THR 26 H THR 26 3.598 -0.528 -4.667 198 HA THR 26 HA THR 26 4.041 2.364 -4.646 199 HB THR 26 HB THR 26 3.434 0.590 -7.021 200 HG1 THR 26 HG1 THR 26 5.686 0.836 -5.535 201 HG21 THR 26 3HG2 THR 26 2.994 2.978 -7.382 202 HG22 THR 26 1HG2 THR 26 4.391 2.441 -8.317 203 HG23 THR 26 2HG2 THR 26 4.625 3.364 -6.832 204 H ILE 27 H ILE 27 2.333 3.502 -4.010 205 HA ILE 27 HA ILE 27 -0.365 2.586 -4.735 206 HB ILE 27 HB ILE 27 0.294 4.881 -2.888 207 HG12 ILE 27 1HG1 ILE 27 1.398 2.905 -1.980 208 HG13 ILE 27 2HG1 ILE 27 -0.003 3.314 -1.001 209 HG21 ILE 27 1HG2 ILE 27 -1.983 4.813 -3.719 210 HG22 ILE 27 2HG2 ILE 27 -1.947 4.431 -1.998 211 HG23 ILE 27 3HG2 ILE 27 -2.150 3.141 -3.184 212 HD11 ILE 27 3HD1 ILE 27 0.102 1.141 -3.079 213 HD12 ILE 27 1HD1 ILE 27 -1.271 1.528 -2.042 214 HD13 ILE 27 2HD1 ILE 27 0.224 0.911 -1.334 215 H GLU 28 H GLU 28 -1.312 3.484 -6.434 216 HA GLU 28 HA GLU 28 -0.448 6.181 -7.247 217 HB2 GLU 28 1HB GLU 28 0.186 4.504 -8.904 218 HB3 GLU 28 2HB GLU 28 -1.469 3.914 -8.970 219 HG2 GLU 28 1HG GLU 28 -2.226 5.969 -9.945 220 HG3 GLU 28 2HG GLU 28 -0.636 6.703 -9.733 221 H ASN 29 H ASN 29 -1.952 7.713 -7.505 222 HA ASN 29 HA ASN 29 -4.689 7.056 -6.743 223 HB2 ASN 29 1HB ASN 29 -3.662 8.929 -5.600 224 HB3 ASN 29 2HB ASN 29 -3.284 9.704 -7.132 225 HD21 ASN 29 2HD2 ASN 29 -4.383 11.529 -6.383 226 HD22 ASN 29 1HD2 ASN 29 -6.116 11.612 -6.401 227 H GLN 30 H GLN 30 -5.794 6.254 -8.400 228 HA GLN 30 HA GLN 30 -5.453 7.418 -11.071 229 HB2 GLN 30 1HB GLN 30 -6.837 4.855 -10.254 230 HB3 GLN 30 2HB GLN 30 -6.500 5.376 -11.900 231 HG2 GLN 30 1HG GLN 30 -4.082 5.285 -11.384 232 HG3 GLN 30 2HG GLN 30 -4.481 4.635 -9.796 233 HE21 GLN 30 2HE2 GLN 30 -2.909 3.465 -11.925 234 HE22 GLN 30 1HE2 GLN 30 -3.682 1.964 -12.330 235 H GLY 31 H GLY 31 -6.838 9.039 -9.376 236 HA2 GLY 31 1HA GLY 31 -9.501 9.000 -10.601 237 HA3 GLY 31 2HA GLY 31 -9.400 9.088 -8.847 238 H ASN 32 H ASN 32 -10.630 11.098 -10.350 239 HA ASN 32 HA ASN 32 -8.670 13.194 -10.820 240 HB2 ASN 32 1HB ASN 32 -10.685 12.713 -12.335 241 HB3 ASN 32 2HB ASN 32 -11.662 13.481 -11.085 242 HD21 ASN 32 2HD2 ASN 32 -11.517 15.693 -10.777 243 HD22 ASN 32 1HD2 ASN 32 -10.722 16.742 -11.907 244 H LYS 33 H LYS 33 -8.474 12.698 -8.273 245 HA LYS 33 HA LYS 33 -9.162 15.238 -7.137 246 HB2 LYS 33 1HB LYS 33 -11.214 13.977 -6.618 247 HB3 LYS 33 2HB LYS 33 -10.251 12.720 -5.854 248 HG2 LYS 33 1HG LYS 33 -11.243 14.121 -4.171 249 HG3 LYS 33 2HG LYS 33 -9.495 14.352 -4.174 250 HD2 LYS 33 1HD LYS 33 -9.782 16.399 -5.500 251 HD3 LYS 33 2HD LYS 33 -11.532 16.169 -5.458 252 HE2 LYS 33 1HE LYS 33 -10.804 17.792 -3.782 253 HE3 LYS 33 2HE LYS 33 -11.513 16.364 -3.030 254 HZ1 LYS 33 3HZ LYS 33 -8.603 16.924 -3.306 255 HZ2 LYS 33 1HZ LYS 33 -9.274 15.539 -2.596 256 HZ3 LYS 33 2HZ LYS 33 -9.512 17.055 -1.882 257 H ASP 34 H ASP 34 -7.622 15.827 -5.648 258 HA ASP 34 HA ASP 34 -5.403 14.053 -5.220 259 HB2 ASP 34 1HB ASP 34 -4.344 15.854 -4.100 260 HB3 ASP 34 2HB ASP 34 -5.276 16.600 -5.394 261 H SER 35 H SER 35 -4.703 13.197 -3.219 262 HA SER 35 HA SER 35 -6.830 12.999 -1.195 263 HB2 SER 35 1HB SER 35 -5.874 10.695 -0.712 264 HB3 SER 35 2HB SER 35 -6.717 10.864 -2.251 265 HG SER 35 HG SER 35 -4.267 11.461 -2.814 266 H THR 36 H THR 36 -6.255 13.158 0.923 267 HA THR 36 HA THR 36 -3.647 14.344 1.416 268 HB THR 36 HB THR 36 -4.783 14.744 3.720 269 HG1 THR 36 HG1 THR 36 -6.662 13.738 3.807 270 HG21 THR 36 3HG2 THR 36 -5.841 16.064 1.220 271 HG22 THR 36 1HG2 THR 36 -4.367 16.510 2.079 272 HG23 THR 36 2HG2 THR 36 -5.939 16.727 2.850 273 H SER 37 H SER 37 -3.398 13.762 4.165 274 HA SER 37 HA SER 37 -1.868 11.501 4.223 275 HB2 SER 37 1HB SER 37 -3.449 12.660 6.528 276 HB3 SER 37 2HB SER 37 -2.060 11.584 6.674 277 HG SER 37 HG SER 37 -1.336 13.587 5.103 278 H PHE 38 H PHE 38 -2.338 9.466 3.826 279 HA PHE 38 HA PHE 38 -4.752 8.339 5.067 280 HB2 PHE 38 1HB PHE 38 -5.202 6.963 3.123 281 HB3 PHE 38 2HB PHE 38 -5.159 8.652 2.639 282 HD1 PHE 38 HD2 PHE 38 -3.046 9.519 1.512 283 HD2 PHE 38 HD1 PHE 38 -3.852 5.385 2.106 284 HE1 PHE 38 HE2 PHE 38 -1.404 8.947 -0.231 285 HE2 PHE 38 HE1 PHE 38 -2.217 4.816 0.367 286 HZ PHE 38 HZ PHE 38 -0.985 6.580 -0.790 287 H ASN 39 H ASN 39 -4.611 6.114 5.633 288 HA ASN 39 HA ASN 39 -1.857 5.459 6.427 289 HB2 ASN 39 1HB ASN 39 -4.446 4.275 7.446 290 HB3 ASN 39 2HB ASN 39 -2.853 4.127 8.176 291 HD21 ASN 39 2HD2 ASN 39 -5.543 6.266 7.548 292 HD22 ASN 39 1HD2 ASN 39 -5.147 7.430 8.779 293 H VAL 40 H VAL 40 -0.866 4.072 5.008 294 HA VAL 40 HA VAL 40 -2.515 1.941 3.855 295 HB VAL 40 HB VAL 40 -0.005 3.274 2.948 296 HG11 VAL 40 1HG1 VAL 40 0.712 0.930 3.150 297 HG12 VAL 40 2HG1 VAL 40 0.557 1.416 1.461 298 HG13 VAL 40 3HG1 VAL 40 -0.694 0.423 2.212 299 HG21 VAL 40 3HG2 VAL 40 -2.385 2.104 1.524 300 HG22 VAL 40 1HG2 VAL 40 -1.115 3.092 0.802 301 HG23 VAL 40 2HG2 VAL 40 -2.199 3.790 2.008 302 H SER 41 H SER 41 -2.532 0.048 4.734 303 HA SER 41 HA SER 41 -0.381 -0.698 6.594 304 HB2 SER 41 1HB SER 41 -3.216 -1.757 6.465 305 HB3 SER 41 2HB SER 41 -2.026 -2.075 7.727 306 HG SER 41 HG SER 41 -2.195 0.002 8.423 307 H LEU 42 H LEU 42 0.550 -2.733 6.484 308 HA LEU 42 HA LEU 42 -0.105 -4.303 4.085 309 HB2 LEU 42 1HB LEU 42 2.235 -3.523 4.271 310 HB3 LEU 42 2HB LEU 42 2.388 -4.388 5.789 311 HG LEU 42 HG LEU 42 1.929 -6.513 4.562 312 HD11 LEU 42 1HD1 LEU 42 2.127 -6.517 2.126 313 HD12 LEU 42 2HD1 LEU 42 2.196 -4.754 2.129 314 HD13 LEU 42 3HD1 LEU 42 0.732 -5.579 2.661 315 HD21 LEU 42 3HD2 LEU 42 4.135 -6.662 3.526 316 HD22 LEU 42 1HD2 LEU 42 4.205 -5.849 5.089 317 HD23 LEU 42 2HD2 LEU 42 4.290 -4.906 3.600 318 H LEU 43 H LEU 43 -1.393 -5.953 4.463 319 HA LEU 43 HA LEU 43 -1.370 -7.213 7.111 320 HB2 LEU 43 1HB LEU 43 -3.389 -7.489 4.880 321 HB3 LEU 43 2HB LEU 43 -3.524 -8.190 6.479 322 HG LEU 43 HG LEU 43 -3.373 -5.684 7.261 323 HD11 LEU 43 1HD1 LEU 43 -4.427 -5.398 4.459 324 HD12 LEU 43 2HD1 LEU 43 -2.912 -4.742 5.077 325 HD13 LEU 43 3HD1 LEU 43 -4.451 -4.151 5.706 326 HD21 LEU 43 3HD2 LEU 43 -5.816 -5.558 7.188 327 HD22 LEU 43 1HD2 LEU 43 -5.261 -7.165 7.657 328 HD23 LEU 43 2HD2 LEU 43 -5.846 -6.877 6.018 329 H VAL 44 H VAL 44 -0.342 -9.066 7.350 330 HA VAL 44 HA VAL 44 0.273 -10.678 4.974 331 HB VAL 44 HB VAL 44 1.460 -10.808 7.756 332 HG11 VAL 44 1HG1 VAL 44 1.463 -12.997 6.675 333 HG12 VAL 44 2HG1 VAL 44 3.098 -12.345 6.780 334 HG13 VAL 44 3HG1 VAL 44 2.227 -12.301 5.247 335 HG21 VAL 44 3HG2 VAL 44 3.480 -9.916 6.694 336 HG22 VAL 44 1HG2 VAL 44 2.121 -8.801 6.547 337 HG23 VAL 44 2HG2 VAL 44 2.610 -9.783 5.165 338 H ASP 45 H ASP 45 -1.401 -11.967 4.601 339 HA ASP 45 HA ASP 45 -2.891 -13.657 4.807 340 HB2 ASP 45 1HB ASP 45 -0.945 -14.387 6.979 341 HB3 ASP 45 2HB ASP 45 -2.376 -15.366 6.672 342 H GLY 46 H GLY 46 -3.092 -11.108 6.533 343 HA2 GLY 46 1HA GLY 46 -5.491 -10.785 7.247 344 HA3 GLY 46 2HA GLY 46 -5.195 -12.140 8.325 345 H ILE 47 H ILE 47 -2.481 -11.262 9.009 346 HA ILE 47 HA ILE 47 -3.317 -9.373 11.072 347 HB ILE 47 HB ILE 47 -0.575 -10.577 10.847 348 HG12 ILE 47 1HG1 ILE 47 -2.188 -12.435 10.712 349 HG13 ILE 47 2HG1 ILE 47 -1.323 -12.453 12.243 350 HG21 ILE 47 1HG2 ILE 47 -2.208 -9.644 13.198 351 HG22 ILE 47 2HG2 ILE 47 -0.853 -8.790 12.459 352 HG23 ILE 47 3HG2 ILE 47 -0.583 -10.325 13.283 353 HD11 ILE 47 3HD1 ILE 47 -3.256 -11.449 13.344 354 HD12 ILE 47 1HD1 ILE 47 -3.673 -12.968 12.549 355 HD13 ILE 47 2HD1 ILE 47 -4.119 -11.431 11.807 356 H VAL 48 H VAL 48 -2.173 -7.444 11.508 357 HA VAL 48 HA VAL 48 -1.002 -6.247 9.100 358 HB VAL 48 HB VAL 48 -1.925 -4.882 11.640 359 HG11 VAL 48 1HG1 VAL 48 -1.141 -3.741 8.958 360 HG12 VAL 48 2HG1 VAL 48 -0.218 -3.612 10.456 361 HG13 VAL 48 3HG1 VAL 48 -1.788 -2.824 10.318 362 HG21 VAL 48 3HG2 VAL 48 -3.789 -5.919 10.451 363 HG22 VAL 48 1HG2 VAL 48 -3.302 -5.105 8.966 364 HG23 VAL 48 2HG2 VAL 48 -3.866 -4.160 10.343 365 H VAL 49 H VAL 49 1.150 -6.338 8.976 366 HA VAL 49 HA VAL 49 2.716 -6.664 11.396 367 HB VAL 49 HB VAL 49 4.659 -6.917 9.863 368 HG11 VAL 49 1HG1 VAL 49 3.966 -9.082 8.949 369 HG12 VAL 49 2HG1 VAL 49 2.279 -8.665 9.251 370 HG13 VAL 49 3HG1 VAL 49 3.395 -8.860 10.604 371 HG21 VAL 49 3HG2 VAL 49 3.891 -5.518 8.020 372 HG22 VAL 49 1HG2 VAL 49 2.577 -6.649 7.693 373 HG23 VAL 49 2HG2 VAL 49 4.251 -7.150 7.455 374 H ASP 50 H ASP 50 2.111 -4.193 8.987 375 HA ASP 50 HA ASP 50 3.291 -2.205 10.692 376 HB2 ASP 50 1HB ASP 50 5.253 -3.181 9.420 377 HB3 ASP 50 2HB ASP 50 4.518 -2.548 7.949 378 H THR 51 H THR 51 3.037 -0.015 9.792 379 HA THR 51 HA THR 51 1.158 0.287 7.592 380 HB THR 51 HB THR 51 0.487 1.242 10.389 381 HG1 THR 51 HG1 THR 51 -0.006 -1.071 9.157 382 HG21 THR 51 3HG2 THR 51 -0.216 2.845 8.676 383 HG22 THR 51 1HG2 THR 51 -1.610 2.040 9.398 384 HG23 THR 51 2HG2 THR 51 -1.041 1.555 7.800 385 H GLN 52 H GLN 52 1.633 2.106 6.485 386 HA GLN 52 HA GLN 52 3.316 4.103 7.854 387 HB2 GLN 52 1HB GLN 52 4.428 2.746 6.010 388 HB3 GLN 52 2HB GLN 52 3.338 3.551 4.887 389 HG2 GLN 52 1HG GLN 52 4.278 5.720 6.001 390 HG3 GLN 52 2HG GLN 52 5.613 4.660 6.448 391 HE21 GLN 52 2HE2 GLN 52 3.914 6.191 3.850 392 HE22 GLN 52 1HE2 GLN 52 5.105 5.919 2.624 393 H THR 53 H THR 53 2.264 5.939 8.177 394 HA THR 53 HA THR 53 -0.090 6.654 6.714 395 HB THR 53 HB THR 53 1.573 8.415 8.529 396 HG1 THR 53 HG1 THR 53 -0.058 7.722 10.107 397 HG21 THR 53 3HG2 THR 53 -0.050 9.627 7.151 398 HG22 THR 53 1HG2 THR 53 -0.533 9.635 8.848 399 HG23 THR 53 2HG2 THR 53 -1.333 8.552 7.709 400 H VAL 54 H VAL 54 0.089 7.212 4.639 401 HA VAL 54 HA VAL 54 2.421 8.541 3.599 402 HB VAL 54 HB VAL 54 -0.249 8.114 2.242 403 HG11 VAL 54 1HG1 VAL 54 1.008 8.358 0.172 404 HG12 VAL 54 2HG1 VAL 54 2.492 8.616 1.087 405 HG13 VAL 54 3HG1 VAL 54 1.183 9.794 1.181 406 HG21 VAL 54 3HG2 VAL 54 0.676 5.979 2.996 407 HG22 VAL 54 1HG2 VAL 54 2.199 6.350 2.186 408 HG23 VAL 54 2HG2 VAL 54 0.729 6.115 1.239 409 H THR 55 H THR 55 2.709 10.678 3.375 410 HA THR 55 HA THR 55 1.225 12.441 4.925 411 HB THR 55 HB THR 55 2.980 13.260 2.615 412 HG1 THR 55 HG1 THR 55 3.632 12.164 5.156 413 HG21 THR 55 3HG2 THR 55 3.528 15.153 4.082 414 HG22 THR 55 1HG2 THR 55 2.420 14.525 5.302 415 HG23 THR 55 2HG2 THR 55 1.797 15.080 3.748 416 H SER 56 H SER 56 1.249 12.059 1.383 417 HA SER 56 HA SER 56 -1.466 12.790 1.051 418 HB2 SER 56 1HB SER 56 0.526 14.908 0.171 419 HB3 SER 56 2HB SER 56 -1.205 14.917 -0.151 420 HG SER 56 HG SER 56 -0.808 14.645 2.479 421 H LEU 57 H LEU 57 -2.142 12.527 -1.137 422 HA LEU 57 HA LEU 57 -0.037 11.804 -3.049 423 HB2 LEU 57 1HB LEU 57 -0.985 9.745 -1.946 424 HB3 LEU 57 2HB LEU 57 -2.529 10.150 -2.671 425 HG LEU 57 HG LEU 57 -1.549 9.929 -4.911 426 HD11 LEU 57 1HD1 LEU 57 0.949 9.095 -3.444 427 HD12 LEU 57 2HD1 LEU 57 0.738 10.581 -4.372 428 HD13 LEU 57 3HD1 LEU 57 0.697 9.017 -5.187 429 HD21 LEU 57 3HD2 LEU 57 -2.587 7.983 -3.887 430 HD22 LEU 57 1HD2 LEU 57 -1.055 7.545 -3.131 431 HD23 LEU 57 2HD2 LEU 57 -1.218 7.506 -4.888 432 H GLU 58 H GLU 58 -0.268 13.164 -4.672 433 HA GLU 58 HA GLU 58 -2.729 14.537 -5.185 434 HB2 GLU 58 1HB GLU 58 -0.193 14.520 -6.828 435 HB3 GLU 58 2HB GLU 58 -1.499 15.692 -6.936 436 HG2 GLU 58 1HG GLU 58 0.395 15.281 -4.637 437 HG3 GLU 58 2HG GLU 58 0.310 16.668 -5.722 438 H SER 59 H SER 59 -3.370 14.748 -7.630 439 HA SER 59 HA SER 59 -4.430 12.236 -8.383 440 HB2 SER 59 1HB SER 59 -4.300 14.803 -9.981 441 HB3 SER 59 2HB SER 59 -5.378 13.439 -10.286 442 HG SER 59 HG SER 59 -6.163 13.828 -8.080 443 H GLU 60 H GLU 60 -3.661 10.705 -9.655 444 HA GLU 60 HA GLU 60 -2.455 9.557 -11.181 445 HB2 GLU 60 1HB GLU 60 -3.025 11.475 -12.691 446 HB3 GLU 60 2HB GLU 60 -1.502 12.225 -12.235 447 HG2 GLU 60 1HG GLU 60 -0.306 10.265 -13.131 448 HG3 GLU 60 2HG GLU 60 -1.850 9.598 -13.660 449 H ASN 61 H ASN 61 -1.262 11.009 -8.639 450 HA ASN 61 HA ASN 61 1.561 10.637 -9.279 451 HB2 ASN 61 1HB ASN 61 0.870 12.620 -7.933 452 HB3 ASN 61 2HB ASN 61 0.313 11.531 -6.666 453 HD21 ASN 61 2HD2 ASN 61 1.789 12.419 -5.171 454 HD22 ASN 61 1HD2 ASN 61 3.478 12.069 -5.260 455 H SER 62 H SER 62 2.857 9.112 -8.285 456 HA SER 62 HA SER 62 1.434 6.994 -6.811 457 HB2 SER 62 1HB SER 62 3.887 6.601 -8.534 458 HB3 SER 62 2HB SER 62 2.861 5.357 -7.823 459 HG SER 62 HG SER 62 1.393 7.020 -9.343 460 H THR 63 H THR 63 2.222 6.506 -4.851 461 HA THR 63 HA THR 63 4.831 7.660 -4.121 462 HB THR 63 HB THR 63 3.003 8.719 -2.887 463 HG1 THR 63 HG1 THR 63 3.946 7.297 -0.776 464 HG21 THR 63 3HG2 THR 63 1.641 7.456 -1.295 465 HG22 THR 63 1HG2 THR 63 2.380 5.952 -1.847 466 HG23 THR 63 2HG2 THR 63 1.373 6.896 -2.946 467 H ASN 64 H ASN 64 6.322 6.392 -3.147 468 HA ASN 64 HA ASN 64 5.807 3.527 -3.153 469 HB2 ASN 64 1HB ASN 64 8.337 5.159 -2.943 470 HB3 ASN 64 2HB ASN 64 8.316 3.417 -2.688 471 HD21 ASN 64 2HD2 ASN 64 8.033 2.056 -4.426 472 HD22 ASN 64 1HD2 ASN 64 8.091 2.597 -6.071 473 H VAL 65 H VAL 65 5.073 2.634 -1.400 474 HA VAL 65 HA VAL 65 5.573 3.851 1.215 475 HB VAL 65 HB VAL 65 3.800 1.482 0.632 476 HG11 VAL 65 1HG1 VAL 65 4.329 1.857 2.967 477 HG12 VAL 65 2HG1 VAL 65 2.631 2.218 2.655 478 HG13 VAL 65 3HG1 VAL 65 3.792 3.532 2.840 479 HG21 VAL 65 3HG2 VAL 65 3.079 4.404 0.474 480 HG22 VAL 65 1HG2 VAL 65 1.916 3.078 0.499 481 HG23 VAL 65 2HG2 VAL 65 3.051 3.224 -0.842 482 H ASP 66 H ASP 66 7.074 3.012 2.540 483 HA ASP 66 HA ASP 66 8.143 0.358 1.851 484 HB2 ASP 66 1HB ASP 66 9.509 2.805 2.956 485 HB3 ASP 66 2HB ASP 66 10.243 1.207 3.036 486 H PHE 67 H PHE 67 7.451 -1.125 3.199 487 HA PHE 67 HA PHE 67 6.642 -0.397 5.907 488 HB2 PHE 67 1HB PHE 67 6.396 -3.049 4.477 489 HB3 PHE 67 2HB PHE 67 5.638 -2.616 6.003 490 HD1 PHE 67 HD2 PHE 67 4.078 -0.490 5.888 491 HD2 PHE 67 HD1 PHE 67 5.184 -2.901 2.557 492 HE1 PHE 67 HE2 PHE 67 2.086 0.280 4.670 493 HE2 PHE 67 HE1 PHE 67 3.196 -2.130 1.334 494 HZ PHE 67 HZ PHE 67 1.645 -0.542 2.391 495 H HIS 68 H HIS 68 7.172 -1.844 7.692 496 HA HIS 68 HA HIS 68 9.938 -2.870 7.498 497 HB2 HIS 68 1HB HIS 68 8.482 -2.067 10.030 498 HB3 HIS 68 2HB HIS 68 10.202 -2.368 9.832 499 HD1 HIS 68 HD1 HIS 68 7.555 0.151 8.813 500 HD2 HIS 68 HD2 HIS 68 11.686 -0.142 9.250 501 HE1 HIS 68 HE1 HIS 68 8.443 2.488 8.509 502 HE2 HIS 68 HE2 HIS 68 10.905 2.314 9.009 503 H TRP 69 H TRP 69 9.507 -4.981 6.906 504 HA TRP 69 HA TRP 69 7.729 -6.491 8.702 505 HB2 TRP 69 1HB TRP 69 6.797 -6.485 6.489 506 HB3 TRP 69 2HB TRP 69 8.347 -6.908 5.771 507 HD1 TRP 69 HD1 TRP 69 7.085 -8.821 8.832 508 HE1 TRP 69 HE1 TRP 69 6.588 -11.249 8.136 509 HE3 TRP 69 HE3 TRP 69 7.591 -8.338 3.761 510 HZ2 TRP 69 HZ2 TRP 69 6.445 -12.760 5.749 511 HZ3 TRP 69 HZ3 TRP 69 7.246 -10.319 2.353 512 HH2 TRP 69 HH2 TRP 69 6.676 -12.480 3.324 513 H THR 70 H THR 70 8.883 -7.558 10.134 514 HA THR 70 HA THR 70 11.547 -8.531 9.558 515 HB THR 70 HB THR 70 9.838 -9.088 11.993 516 HG1 THR 70 HG1 THR 70 10.766 -6.762 11.153 517 HG21 THR 70 3HG2 THR 70 12.831 -9.122 11.579 518 HG22 THR 70 1HG2 THR 70 11.798 -10.539 11.761 519 HG23 THR 70 2HG2 THR 70 12.000 -9.418 13.107 520 H LEU 71 H LEU 71 11.809 -10.336 8.394 521 HA LEU 71 HA LEU 71 9.687 -12.179 7.951 522 HB2 LEU 71 1HB LEU 71 12.214 -11.612 6.793 523 HB3 LEU 71 2HB LEU 71 12.197 -13.312 7.218 524 HG LEU 71 HG LEU 71 11.457 -13.072 4.940 525 HD11 LEU 71 1HD1 LEU 71 10.366 -14.804 6.228 526 HD12 LEU 71 2HD1 LEU 71 9.265 -14.114 5.037 527 HD13 LEU 71 3HD1 LEU 71 9.124 -13.660 6.736 528 HD21 LEU 71 3HD2 LEU 71 9.350 -11.218 6.006 529 HD22 LEU 71 1HD2 LEU 71 9.501 -11.771 4.338 530 HD23 LEU 71 2HD2 LEU 71 10.753 -10.751 5.045 531 H ASP 72 H ASP 72 9.054 -13.714 9.251 532 HA ASP 72 HA ASP 72 10.777 -14.795 11.307 533 HB2 ASP 72 1HB ASP 72 8.801 -16.092 11.975 534 HB3 ASP 72 2HB ASP 72 8.399 -14.390 11.788 535 H GLY 73 H GLY 73 9.415 -15.744 8.224 536 HA2 GLY 73 1HA GLY 73 10.312 -17.216 6.682 537 HA3 GLY 73 2HA GLY 73 11.572 -17.610 7.840 538 H THR 74 H THR 74 8.176 -17.840 8.629 539 HA THR 74 HA THR 74 8.503 -20.628 9.253 540 HB THR 74 HB THR 74 5.977 -18.973 9.348 541 HG1 THR 74 HG1 THR 74 7.028 -17.961 10.887 542 HG21 THR 74 3HG2 THR 74 5.599 -21.392 9.460 543 HG22 THR 74 1HG2 THR 74 5.259 -20.627 11.012 544 HG23 THR 74 2HG2 THR 74 6.763 -21.517 10.781 545 H ALA 75 H ALA 75 6.464 -18.752 7.046 546 HA ALA 75 HA ALA 75 5.940 -21.214 5.526 547 HB1 ALA 75 3HB ALA 75 3.945 -20.041 6.326 548 HB2 ALA 75 1HB ALA 75 4.031 -20.034 4.564 549 HB3 ALA 75 2HB ALA 75 4.459 -18.585 5.474 550 H ASN 76 H ASN 76 6.246 -21.239 3.278 551 HA ASN 76 HA ASN 76 8.322 -19.420 2.375 552 HB2 ASN 76 1HB ASN 76 7.102 -21.893 1.148 553 HB3 ASN 76 2HB ASN 76 8.277 -20.892 0.302 554 HD21 ASN 76 2HD2 ASN 76 7.749 -23.122 2.901 555 HD22 ASN 76 1HD2 ASN 76 9.419 -23.430 3.244 556 H SER 77 H SER 77 4.994 -19.482 2.304 557 HA SER 77 HA SER 77 4.975 -17.479 0.170 558 HB2 SER 77 1HB SER 77 4.211 -19.651 -0.791 559 HB3 SER 77 2HB SER 77 2.921 -19.696 0.409 560 HG SER 77 HG SER 77 3.291 -17.816 -1.683 561 H TYR 78 H TYR 78 4.191 -15.662 0.978 562 HA TYR 78 HA TYR 78 2.149 -15.847 3.097 563 HB2 TYR 78 1HB TYR 78 4.331 -13.811 2.677 564 HB3 TYR 78 2HB TYR 78 2.952 -13.514 3.730 565 HD1 TYR 78 HD2 TYR 78 2.517 -15.583 5.421 566 HD2 TYR 78 HD1 TYR 78 6.258 -14.515 3.706 567 HE1 TYR 78 HE2 TYR 78 3.675 -16.699 7.273 568 HE2 TYR 78 HE1 TYR 78 7.429 -15.630 5.554 569 HH TYR 78 HH TYR 78 6.744 -16.203 8.102 570 H THR 79 H THR 79 0.455 -14.360 3.086 571 HA THR 79 HA THR 79 -0.141 -13.304 0.405 572 HB THR 79 HB THR 79 -2.045 -13.709 2.721 573 HG1 THR 79 HG1 THR 79 -1.008 -15.659 1.760 574 HG21 THR 79 3HG2 THR 79 -3.780 -13.521 0.996 575 HG22 THR 79 1HG2 THR 79 -2.539 -13.236 -0.224 576 HG23 THR 79 2HG2 THR 79 -2.792 -12.061 1.068 577 H LEU 80 H LEU 80 0.998 -11.378 0.509 578 HA LEU 80 HA LEU 80 0.523 -9.587 2.737 579 HB2 LEU 80 1HB LEU 80 2.448 -9.709 0.496 580 HB3 LEU 80 2HB LEU 80 2.030 -8.113 1.088 581 HG LEU 80 HG LEU 80 2.765 -8.736 3.339 582 HD11 LEU 80 1HD1 LEU 80 3.518 -11.373 2.092 583 HD12 LEU 80 2HD1 LEU 80 2.278 -11.108 3.315 584 HD13 LEU 80 3HD1 LEU 80 3.976 -10.841 3.709 585 HD21 LEU 80 3HD2 LEU 80 4.355 -7.720 1.814 586 HD22 LEU 80 1HD2 LEU 80 4.802 -9.310 1.197 587 HD23 LEU 80 2HD2 LEU 80 5.158 -8.881 2.870 588 H THR 81 H THR 81 -1.156 -8.346 2.765 589 HA THR 81 HA THR 81 -2.327 -7.471 0.208 590 HB THR 81 HB THR 81 -3.725 -7.714 2.881 591 HG1 THR 81 HG1 THR 81 -3.031 -9.752 1.866 592 HG21 THR 81 3HG2 THR 81 -4.733 -6.079 1.359 593 HG22 THR 81 1HG2 THR 81 -5.771 -7.494 1.546 594 HG23 THR 81 2HG2 THR 81 -4.800 -7.299 0.087 595 H VAL 82 H VAL 82 -2.052 -5.403 -0.230 596 HA VAL 82 HA VAL 82 -1.411 -3.512 1.893 597 HB VAL 82 HB VAL 82 -1.616 -3.048 -1.091 598 HG11 VAL 82 1HG1 VAL 82 -0.376 -0.986 -0.636 599 HG12 VAL 82 2HG1 VAL 82 -0.438 -1.330 1.092 600 HG13 VAL 82 3HG1 VAL 82 -1.926 -1.007 0.203 601 HG21 VAL 82 3HG2 VAL 82 0.813 -3.527 0.634 602 HG22 VAL 82 1HG2 VAL 82 0.839 -3.078 -1.072 603 HG23 VAL 82 2HG2 VAL 82 0.159 -4.629 -0.578 604 H ASN 83 H ASN 83 -3.193 -2.956 3.023 605 HA ASN 83 HA ASN 83 -5.641 -2.328 1.533 606 HB2 ASN 83 1HB ASN 83 -5.709 -3.747 3.643 607 HB3 ASN 83 2HB ASN 83 -5.288 -2.287 4.534 608 HD21 ASN 83 2HD2 ASN 83 -6.784 -0.531 4.528 609 HD22 ASN 83 1HD2 ASN 83 -8.463 -0.809 4.219 610 H VAL 84 H VAL 84 -5.860 -0.342 0.838 611 HA VAL 84 HA VAL 84 -4.273 1.791 1.945 612 HB VAL 84 HB VAL 84 -6.291 1.791 -0.301 613 HG11 VAL 84 1HG1 VAL 84 -4.384 3.959 0.573 614 HG12 VAL 84 2HG1 VAL 84 -6.138 3.997 0.745 615 HG13 VAL 84 3HG1 VAL 84 -5.409 4.002 -0.862 616 HG21 VAL 84 3HG2 VAL 84 -4.334 1.903 -1.741 617 HG22 VAL 84 1HG2 VAL 84 -4.247 0.475 -0.707 618 HG23 VAL 84 2HG2 VAL 84 -3.273 1.898 -0.331 619 H ASP 85 H ASP 85 -4.877 2.481 3.817 620 HA ASP 85 HA ASP 85 -5.984 3.427 5.507 621 HB2 ASP 85 1HB ASP 85 -6.130 5.187 3.631 622 HB3 ASP 85 2HB ASP 85 -7.835 4.744 3.555 623 HA PRO 86 HA PRO 86 -9.478 0.559 5.856 624 HB2 PRO 86 1HB PRO 86 -8.463 -0.016 8.491 625 HB3 PRO 86 2HB PRO 86 -8.515 -1.079 7.084 626 HG2 PRO 86 1HG PRO 86 -6.199 -0.097 8.195 627 HG3 PRO 86 2HG PRO 86 -6.353 -0.627 6.512 628 HD2 PRO 86 1HD PRO 86 -6.390 2.142 7.641 629 HD3 PRO 86 2HD PRO 86 -5.657 1.545 6.134 630 H GLU 87 H GLU 87 -8.962 3.516 6.765 631 HA GLU 87 HA GLU 87 -10.914 3.533 8.970 632 HB2 GLU 87 1HB GLU 87 -8.600 4.323 9.527 633 HB3 GLU 87 2HB GLU 87 -8.805 5.612 8.351 634 HG2 GLU 87 1HG GLU 87 -10.603 6.561 9.644 635 HG3 GLU 87 2HG GLU 87 -10.530 5.217 10.784 636 H ASN 88 H ASN 88 -10.222 4.453 5.778 637 HA ASN 88 HA ASN 88 -11.317 5.607 4.179 638 HB2 ASN 88 1HB ASN 88 -13.569 5.336 6.164 639 HB3 ASN 88 2HB ASN 88 -13.774 6.171 4.629 640 HD21 ASN 88 2HD2 ASN 88 -12.105 4.463 3.065 641 HD22 ASN 88 1HD2 ASN 88 -12.926 2.948 2.918 642 H ALA 89 H ALA 89 -9.594 7.041 5.667 643 HA ALA 89 HA ALA 89 -10.657 9.488 6.642 644 HB1 ALA 89 3HB ALA 89 -8.378 10.347 6.408 645 HB2 ALA 89 1HB ALA 89 -7.935 8.928 5.461 646 HB3 ALA 89 2HB ALA 89 -8.381 8.751 7.158 647 H VAL 90 H VAL 90 -9.744 8.308 3.491 648 HA VAL 90 HA VAL 90 -10.725 10.795 2.258 649 HB VAL 90 HB VAL 90 -9.273 8.576 0.802 650 HG11 VAL 90 1HG1 VAL 90 -8.651 10.404 -0.733 651 HG12 VAL 90 2HG1 VAL 90 -9.630 11.514 0.228 652 HG13 VAL 90 3HG1 VAL 90 -10.394 10.169 -0.618 653 HG21 VAL 90 3HG2 VAL 90 -7.181 9.823 1.092 654 HG22 VAL 90 1HG2 VAL 90 -7.818 9.242 2.630 655 HG23 VAL 90 2HG2 VAL 90 -8.002 10.939 2.182 656 H ASN 91 H ASN 91 -12.034 10.308 0.163 657 HA ASN 91 HA ASN 91 -13.751 7.978 0.677 658 HB2 ASN 91 1HB ASN 91 -14.831 10.263 0.623 659 HB3 ASN 91 2HB ASN 91 -14.403 10.351 -1.083 660 HD21 ASN 91 2HD2 ASN 91 -16.592 10.482 -1.651 661 HD22 ASN 91 1HD2 ASN 91 -17.625 9.092 -1.616 662 H GLU 92 H GLU 92 -12.675 6.370 -0.354 663 HA GLU 92 HA GLU 92 -11.331 6.811 -2.841 664 HB2 GLU 92 1HB GLU 92 -11.876 4.207 -1.409 665 HB3 GLU 92 2HB GLU 92 -10.777 4.421 -2.761 666 HG2 GLU 92 1HG GLU 92 -9.357 4.385 -0.949 667 HG3 GLU 92 2HG GLU 92 -9.580 6.112 -1.222 668 H GLY 93 H GLY 93 -11.773 6.001 -4.818 669 HA2 GLY 93 1HA GLY 93 -14.349 5.613 -5.770 670 HA3 GLY 93 2HA GLY 93 -12.884 5.081 -6.579 671 H ASN 94 H ASN 94 -12.306 2.959 -6.533 672 HA ASN 94 HA ASN 94 -14.521 1.167 -5.945 673 HB2 ASN 94 1HB ASN 94 -11.848 0.471 -7.169 674 HB3 ASN 94 2HB ASN 94 -13.335 -0.468 -7.246 675 HD21 ASN 94 2HD2 ASN 94 -11.573 2.217 -8.491 676 HD22 ASN 94 1HD2 ASN 94 -12.633 2.568 -9.818 677 H GLU 95 H GLU 95 -14.638 -0.211 -4.291 678 HA GLU 95 HA GLU 95 -12.794 -0.174 -2.155 679 HB2 GLU 95 1HB GLU 95 -14.899 -2.246 -2.798 680 HB3 GLU 95 2HB GLU 95 -14.097 -2.045 -1.248 681 HG2 GLU 95 1HG GLU 95 -15.075 0.215 -1.081 682 HG3 GLU 95 2HG GLU 95 -15.951 -0.090 -2.582 683 H SER 96 H SER 96 -13.191 -2.242 -4.946 684 HA SER 96 HA SER 96 -11.482 -4.341 -4.257 685 HB2 SER 96 1HB SER 96 -11.964 -3.108 -6.985 686 HB3 SER 96 2HB SER 96 -11.287 -4.712 -6.685 687 HG SER 96 HG SER 96 -13.498 -4.661 -5.311 688 H ASN 97 H ASN 97 -10.821 -1.089 -5.225 689 HA ASN 97 HA ASN 97 -8.080 -1.613 -5.980 690 HB2 ASN 97 1HB ASN 97 -9.738 0.909 -5.838 691 HB3 ASN 97 2HB ASN 97 -8.038 0.901 -6.297 692 HD21 ASN 97 2HD2 ASN 97 -8.776 1.809 -8.315 693 HD22 ASN 97 1HD2 ASN 97 -9.386 0.750 -9.548 694 H ASN 98 H ASN 98 -9.770 -0.963 -3.120 695 HA ASN 98 HA ASN 98 -7.724 0.483 -1.734 696 HB2 ASN 98 1HB ASN 98 -10.163 -1.033 -0.816 697 HB3 ASN 98 2HB ASN 98 -9.015 -0.360 0.332 698 HD21 ASN 98 2HD2 ASN 98 -8.919 1.844 0.635 699 HD22 ASN 98 1HD2 ASN 98 -10.126 2.919 0.014 700 H THR 99 H THR 99 -7.886 -2.681 -2.803 701 HA THR 99 HA THR 99 -6.043 -3.579 -0.698 702 HB THR 99 HB THR 99 -7.141 -5.897 -1.096 703 HG1 THR 99 HG1 THR 99 -8.520 -4.741 -2.824 704 HG21 THR 99 3HG2 THR 99 -7.228 -4.689 1.021 705 HG22 THR 99 1HG2 THR 99 -8.778 -5.460 0.680 706 HG23 THR 99 2HG2 THR 99 -8.583 -3.725 0.430 707 H LEU 100 H LEU 100 -4.163 -4.198 -1.505 708 HA LEU 100 HA LEU 100 -4.122 -5.517 -4.137 709 HB2 LEU 100 1HB LEU 100 -2.587 -3.672 -4.083 710 HB3 LEU 100 2HB LEU 100 -1.918 -4.204 -2.551 711 HG LEU 100 HG LEU 100 -1.048 -6.246 -3.719 712 HD11 LEU 100 1HD1 LEU 100 -1.893 -4.743 -6.188 713 HD12 LEU 100 2HD1 LEU 100 -2.565 -6.271 -5.614 714 HD13 LEU 100 3HD1 LEU 100 -0.887 -6.191 -6.158 715 HD21 LEU 100 3HD2 LEU 100 -0.106 -3.584 -4.768 716 HD22 LEU 100 1HD2 LEU 100 0.815 -5.088 -4.789 717 HD23 LEU 100 2HD2 LEU 100 0.386 -4.338 -3.251 718 H THR 101 H THR 101 -4.569 -7.601 -3.713 719 HA THR 101 HA THR 101 -3.247 -8.990 -1.544 720 HB THR 101 HB THR 101 -4.911 -10.174 -3.778 721 HG1 THR 101 HG1 THR 101 -6.209 -8.693 -2.711 722 HG21 THR 101 3HG2 THR 101 -4.250 -11.178 -1.004 723 HG22 THR 101 1HG2 THR 101 -3.576 -11.792 -2.512 724 HG23 THR 101 2HG2 THR 101 -5.295 -11.988 -2.171 725 H ALA 102 H ALA 102 -1.079 -9.006 -1.948 726 HA ALA 102 HA ALA 102 -0.203 -10.124 -4.527 727 HB1 ALA 102 3HB ALA 102 0.574 -7.840 -4.120 728 HB2 ALA 102 1HB ALA 102 1.919 -8.980 -4.162 729 HB3 ALA 102 2HB ALA 102 1.333 -8.364 -2.617 730 H LEU 103 H LEU 103 0.476 -12.146 -4.435 731 HA LEU 103 HA LEU 103 1.220 -13.336 -1.919 732 HB2 LEU 103 1HB LEU 103 1.024 -14.414 -4.717 733 HB3 LEU 103 2HB LEU 103 1.670 -15.364 -3.392 734 HG LEU 103 HG LEU 103 -1.120 -14.239 -3.579 735 HD11 LEU 103 1HD1 LEU 103 -0.734 -16.143 -5.038 736 HD12 LEU 103 2HD1 LEU 103 -1.774 -16.595 -3.686 737 HD13 LEU 103 3HD1 LEU 103 -0.072 -17.059 -3.685 738 HD21 LEU 103 3HD2 LEU 103 -1.541 -15.469 -1.507 739 HD22 LEU 103 1HD2 LEU 103 -0.319 -14.219 -1.279 740 HD23 LEU 103 2HD2 LEU 103 0.165 -15.909 -1.422 741 H VAL 104 H VAL 104 3.128 -13.132 -1.119 742 HA VAL 104 HA VAL 104 5.411 -12.831 -2.949 743 HB VAL 104 HB VAL 104 6.657 -11.782 -1.139 744 HG11 VAL 104 1HG1 VAL 104 3.948 -10.512 -1.499 745 HG12 VAL 104 2HG1 VAL 104 5.337 -10.328 -2.571 746 HG13 VAL 104 3HG1 VAL 104 5.401 -9.694 -0.924 747 HG21 VAL 104 3HG2 VAL 104 4.162 -12.178 0.495 748 HG22 VAL 104 1HG2 VAL 104 5.512 -11.143 0.965 749 HG23 VAL 104 2HG2 VAL 104 5.753 -12.883 0.788 750 H GLY 105 H GLY 105 7.159 -14.173 -2.741 751 HA2 GLY 105 1HA GLY 105 6.725 -16.457 -0.920 752 HA3 GLY 105 2HA GLY 105 7.407 -16.619 -2.535 753 H THR 106 H THR 106 8.728 -17.595 -0.305 754 HA THR 106 HA THR 106 10.744 -15.747 0.507 755 HB THR 106 HB THR 106 11.960 -17.827 1.253 756 HG1 THR 106 HG1 THR 106 10.579 -19.759 1.216 757 HG21 THR 106 3HG2 THR 106 10.500 -16.609 2.772 758 HG22 THR 106 1HG2 THR 106 10.349 -18.345 3.049 759 HG23 THR 106 2HG2 THR 106 9.097 -17.480 2.154 760 H LEU 107 H LEU 107 12.729 -15.366 -0.372 761 HA LEU 107 HA LEU 107 13.033 -15.690 -3.135 762 HB2 LEU 107 1HB LEU 107 14.127 -13.905 -1.842 763 HB3 LEU 107 2HB LEU 107 15.164 -15.096 -1.077 764 HG LEU 107 HG LEU 107 16.195 -15.612 -3.241 765 HD11 LEU 107 1HD1 LEU 107 14.412 -13.429 -4.306 766 HD12 LEU 107 2HD1 LEU 107 14.301 -15.147 -4.686 767 HD13 LEU 107 3HD1 LEU 107 15.714 -14.222 -5.194 768 HD21 LEU 107 3HD2 LEU 107 16.162 -12.669 -2.589 769 HD22 LEU 107 1HD2 LEU 107 17.380 -13.494 -3.561 770 HD23 LEU 107 2HD2 LEU 107 17.201 -13.890 -1.852 771 H GLU 108 H GLU 108 14.393 -16.967 -4.371 772 HA GLU 108 HA GLU 108 14.479 -19.664 -3.702 773 HB2 GLU 108 1HB GLU 108 16.136 -18.205 -5.762 774 HB3 GLU 108 2HB GLU 108 15.895 -19.944 -5.691 775 HG2 GLU 108 1HG GLU 108 13.430 -19.488 -5.946 776 HG3 GLU 108 2HG GLU 108 13.873 -17.820 -6.313 777 H HIS 109 H HIS 109 16.868 -17.122 -3.336 778 HA HIS 109 HA HIS 109 18.798 -17.008 -2.135 779 HB2 HIS 109 1HB HIS 109 17.578 -18.139 -0.353 780 HB3 HIS 109 2HB HIS 109 17.869 -19.700 -1.099 781 HD1 HIS 109 HD1 HIS 109 19.836 -16.887 0.547 782 HD2 HIS 109 HD2 HIS 109 20.060 -20.981 -0.165 783 HE1 HIS 109 HE1 HIS 109 21.837 -17.699 1.845 784 HE2 HIS 109 HE2 HIS 109 21.807 -20.207 1.572 785 H HIS 110 H HIS 110 18.292 -18.545 -4.739 786 HA HIS 110 HA HIS 110 20.831 -20.026 -4.883 787 HB2 HIS 110 1HB HIS 110 18.540 -20.049 -6.869 788 HB3 HIS 110 2HB HIS 110 19.952 -21.098 -6.882 789 HD1 HIS 110 HD1 HIS 110 16.725 -21.741 -6.557 790 HD2 HIS 110 HD2 HIS 110 19.766 -22.138 -3.756 791 HE1 HIS 110 HE1 HIS 110 15.889 -23.423 -4.894 792 HE2 HIS 110 HE2 HIS 110 17.629 -23.427 -3.072 793 H HIS 111 H HIS 111 22.396 -19.389 -6.337 794 HA HIS 111 HA HIS 111 22.147 -16.687 -7.332 795 HB2 HIS 111 1HB HIS 111 24.378 -18.662 -7.142 796 HB3 HIS 111 2HB HIS 111 24.527 -17.326 -8.281 797 HD1 HIS 111 HD1 HIS 111 25.553 -15.291 -7.335 798 HD2 HIS 111 HD2 HIS 111 23.707 -17.598 -4.402 799 HE1 HIS 111 HE1 HIS 111 25.970 -14.092 -5.160 800 HE2 HIS 111 HE2 HIS 111 24.702 -15.415 -3.429 801 H HIS 112 H HIS 112 21.492 -19.765 -8.508 802 HA HIS 112 HA HIS 112 21.241 -18.677 -11.222 803 HB2 HIS 112 1HB HIS 112 21.245 -21.511 -10.188 804 HB3 HIS 112 2HB HIS 112 20.598 -21.116 -11.777 805 HD1 HIS 112 HD1 HIS 112 23.451 -22.608 -10.650 806 HD2 HIS 112 HD2 HIS 112 22.869 -19.177 -12.935 807 HE1 HIS 112 HE1 HIS 112 25.604 -22.237 -11.890 808 HE2 HIS 112 HE2 HIS 112 25.295 -20.050 -13.104 809 H HIS 113 H HIS 113 19.498 -17.397 -10.966 810 HA HIS 113 HA HIS 113 17.202 -18.221 -9.430 811 HB2 HIS 113 1HB HIS 113 18.104 -15.868 -9.509 812 HB3 HIS 113 2HB HIS 113 17.540 -15.768 -11.171 813 HD1 HIS 113 HD1 HIS 113 14.865 -15.920 -11.487 814 HD2 HIS 113 HD2 HIS 113 16.233 -15.309 -7.604 815 HE1 HIS 113 HE1 HIS 113 12.885 -15.070 -10.195 816 HE2 HIS 113 HE2 HIS 113 13.773 -14.571 -7.893 817 H HIS 114 H HIS 114 15.113 -18.555 -10.224 818 HA HIS 114 HA HIS 114 14.973 -19.283 -13.063 819 HB2 HIS 114 1HB HIS 114 13.096 -19.826 -10.753 820 HB3 HIS 114 2HB HIS 114 12.765 -20.291 -12.419 821 HD1 HIS 114 HD1 HIS 114 14.609 -21.320 -9.395 822 HD2 HIS 114 HD2 HIS 114 14.497 -22.327 -13.431 823 HE1 HIS 114 HE1 HIS 114 15.828 -23.516 -9.585 824 HE2 HIS 114 HE2 HIS 114 15.921 -23.994 -12.063 Start of MODEL 20 1 H1 MET 1 1H MET 1 -16.445 15.611 -8.463 2 H2 MET 1 2H MET 1 -16.045 15.700 -6.816 3 H3 MET 1 3H MET 1 -16.752 14.292 -7.441 4 HA MET 1 HA MET 1 -14.814 13.904 -8.821 5 HB2 MET 1 1HB MET 1 -13.655 16.250 -7.292 6 HB3 MET 1 2HB MET 1 -12.771 15.210 -8.401 7 HG2 MET 1 1HG MET 1 -14.309 15.956 -10.214 8 HG3 MET 1 2HG MET 1 -14.999 17.113 -9.076 9 HE1 MET 1 3HE MET 1 -11.815 19.330 -8.289 10 HE2 MET 1 1HE MET 1 -12.294 17.860 -7.437 11 HE3 MET 1 2HE MET 1 -13.512 19.050 -7.897 12 H ILE 2 H ILE 2 -14.218 12.049 -7.947 13 HA ILE 2 HA ILE 2 -13.619 11.992 -5.058 14 HB ILE 2 HB ILE 2 -15.644 10.707 -5.982 15 HG12 ILE 2 1HG1 ILE 2 -15.101 8.666 -4.564 16 HG13 ILE 2 2HG1 ILE 2 -13.512 9.384 -4.317 17 HG21 ILE 2 1HG2 ILE 2 -13.469 8.888 -6.987 18 HG22 ILE 2 2HG2 ILE 2 -14.633 9.780 -7.965 19 HG23 ILE 2 3HG2 ILE 2 -15.183 8.484 -6.904 20 HD11 ILE 2 3HD1 ILE 2 -16.148 10.625 -3.568 21 HD12 ILE 2 1HD1 ILE 2 -14.560 11.354 -3.329 22 HD13 ILE 2 2HD1 ILE 2 -14.992 9.878 -2.464 23 HA PRO 3 HA PRO 3 -9.529 10.594 -6.334 24 HB2 PRO 3 1HB PRO 3 -9.114 9.545 -3.653 25 HB3 PRO 3 2HB PRO 3 -8.351 10.937 -4.425 26 HG2 PRO 3 1HG PRO 3 -10.099 11.161 -2.357 27 HG3 PRO 3 2HG PRO 3 -9.902 12.408 -3.602 28 HD2 PRO 3 1HD PRO 3 -12.026 10.304 -3.348 29 HD3 PRO 3 2HD PRO 3 -12.184 12.008 -3.818 30 H ASP 4 H ASP 4 -8.397 8.590 -6.649 31 HA ASP 4 HA ASP 4 -9.787 6.167 -5.807 32 HB2 ASP 4 1HB ASP 4 -10.515 6.847 -8.163 33 HB3 ASP 4 2HB ASP 4 -8.850 6.560 -8.659 34 H LEU 5 H LEU 5 -8.196 5.329 -4.559 35 HA LEU 5 HA LEU 5 -5.423 5.773 -5.415 36 HB2 LEU 5 1HB LEU 5 -6.396 4.705 -2.763 37 HB3 LEU 5 2HB LEU 5 -4.810 5.355 -3.134 38 HG LEU 5 HG LEU 5 -7.349 6.992 -3.122 39 HD11 LEU 5 1HD1 LEU 5 -5.194 6.767 -1.025 40 HD12 LEU 5 2HD1 LEU 5 -6.846 6.168 -0.883 41 HD13 LEU 5 3HD1 LEU 5 -6.544 7.901 -1.005 42 HD21 LEU 5 3HD2 LEU 5 -4.455 7.825 -3.180 43 HD22 LEU 5 1HD2 LEU 5 -5.856 8.894 -3.181 44 HD23 LEU 5 2HD2 LEU 5 -5.548 7.844 -4.564 45 H VAL 6 H VAL 6 -4.246 4.105 -6.165 46 HA VAL 6 HA VAL 6 -5.400 1.419 -5.785 47 HB VAL 6 HB VAL 6 -3.976 2.332 -8.282 48 HG11 VAL 6 1HG1 VAL 6 -5.810 -0.000 -7.750 49 HG12 VAL 6 2HG1 VAL 6 -4.060 -0.069 -7.961 50 HG13 VAL 6 3HG1 VAL 6 -5.092 0.409 -9.308 51 HG21 VAL 6 3HG2 VAL 6 -6.960 2.299 -7.826 52 HG22 VAL 6 1HG2 VAL 6 -6.142 2.672 -9.343 53 HG23 VAL 6 2HG2 VAL 6 -5.962 3.750 -7.953 54 HA PRO 7 HA PRO 7 -1.071 0.365 -5.057 55 HB2 PRO 7 1HB PRO 7 -1.716 -2.172 -4.112 56 HB3 PRO 7 2HB PRO 7 -1.616 -0.714 -3.125 57 HG2 PRO 7 1HG PRO 7 -3.943 -2.234 -3.694 58 HG3 PRO 7 2HG PRO 7 -3.863 -0.673 -2.861 59 HD2 PRO 7 1HD PRO 7 -4.496 -1.272 -5.711 60 HD3 PRO 7 2HD PRO 7 -5.089 0.040 -4.668 61 H VAL 8 H VAL 8 0.022 -0.080 -6.879 62 HA VAL 8 HA VAL 8 -1.218 -1.779 -8.874 63 HB VAL 8 HB VAL 8 0.618 -0.989 -10.376 64 HG11 VAL 8 1HG1 VAL 8 -0.245 1.302 -10.566 65 HG12 VAL 8 2HG1 VAL 8 -1.008 1.138 -8.986 66 HG13 VAL 8 3HG1 VAL 8 -1.539 0.129 -10.331 67 HG21 VAL 8 3HG2 VAL 8 1.990 0.912 -9.640 68 HG22 VAL 8 1HG2 VAL 8 2.330 -0.537 -8.694 69 HG23 VAL 8 2HG2 VAL 8 1.337 0.748 -8.011 70 H SER 9 H SER 9 1.734 -1.778 -6.928 71 HA SER 9 HA SER 9 2.028 -4.612 -7.389 72 HB2 SER 9 1HB SER 9 4.209 -2.706 -8.281 73 HB3 SER 9 2HB SER 9 4.335 -4.463 -8.242 74 HG SER 9 HG SER 9 2.138 -3.794 -9.607 75 H LEU 10 H LEU 10 3.671 -5.578 -6.033 76 HA LEU 10 HA LEU 10 4.729 -3.814 -3.928 77 HB2 LEU 10 1HB LEU 10 2.992 -5.055 -2.886 78 HB3 LEU 10 2HB LEU 10 3.443 -6.529 -3.714 79 HG LEU 10 HG LEU 10 5.524 -6.608 -2.337 80 HD11 LEU 10 1HD1 LEU 10 5.714 -4.249 -1.785 81 HD12 LEU 10 2HD1 LEU 10 5.640 -5.234 -0.322 82 HD13 LEU 10 3HD1 LEU 10 4.218 -4.334 -0.853 83 HD21 LEU 10 3HD2 LEU 10 2.922 -6.530 -0.822 84 HD22 LEU 10 1HD2 LEU 10 4.399 -7.338 -0.296 85 HD23 LEU 10 2HD2 LEU 10 3.552 -7.901 -1.738 86 H THR 11 H THR 11 6.860 -3.868 -3.845 87 HA THR 11 HA THR 11 8.249 -6.279 -4.789 88 HB THR 11 HB THR 11 8.416 -4.072 -6.221 89 HG1 THR 11 HG1 THR 11 10.191 -4.983 -7.071 90 HG21 THR 11 3HG2 THR 11 10.403 -2.763 -5.665 91 HG22 THR 11 1HG2 THR 11 10.567 -3.661 -4.157 92 HG23 THR 11 2HG2 THR 11 9.165 -2.620 -4.416 93 HA PRO 12 HA PRO 12 9.881 -7.268 -4.654 94 HB2 PRO 12 1HB PRO 12 11.315 -9.133 -3.368 95 HB3 PRO 12 2HB PRO 12 12.015 -7.581 -3.836 96 HG2 PRO 12 1HG PRO 12 11.246 -8.567 -1.161 97 HG3 PRO 12 2HG PRO 12 12.429 -7.327 -1.604 98 HD2 PRO 12 1HD PRO 12 9.722 -6.966 -0.709 99 HD3 PRO 12 2HD PRO 12 10.909 -5.719 -1.139 100 H VAL 13 H VAL 13 8.778 -8.992 -5.344 101 HA VAL 13 HA VAL 13 6.650 -10.099 -3.843 102 HB VAL 13 HB VAL 13 6.371 -11.695 -5.690 103 HG11 VAL 13 1HG1 VAL 13 5.976 -10.061 -7.475 104 HG12 VAL 13 2HG1 VAL 13 6.946 -8.878 -6.598 105 HG13 VAL 13 3HG1 VAL 13 5.433 -9.463 -5.908 106 HG21 VAL 13 3HG2 VAL 13 8.928 -10.510 -6.764 107 HG22 VAL 13 1HG2 VAL 13 7.871 -11.623 -7.630 108 HG23 VAL 13 2HG2 VAL 13 8.712 -12.158 -6.174 109 H THR 14 H THR 14 9.971 -10.895 -3.985 110 HA THR 14 HA THR 14 9.453 -13.327 -2.418 111 HB THR 14 HB THR 14 12.037 -13.643 -3.246 112 HG1 THR 14 HG1 THR 14 10.560 -12.436 -5.361 113 HG21 THR 14 3HG2 THR 14 10.286 -15.362 -3.262 114 HG22 THR 14 1HG2 THR 14 11.162 -15.334 -4.793 115 HG23 THR 14 2HG2 THR 14 9.558 -14.609 -4.680 116 H VAL 15 H VAL 15 10.924 -13.683 -0.615 117 HA VAL 15 HA VAL 15 12.438 -11.314 0.221 118 HB VAL 15 HB VAL 15 11.365 -11.418 2.489 119 HG11 VAL 15 1HG1 VAL 15 10.748 -9.671 0.912 120 HG12 VAL 15 2HG1 VAL 15 9.349 -10.181 1.860 121 HG13 VAL 15 3HG1 VAL 15 9.535 -10.731 0.194 122 HG21 VAL 15 3HG2 VAL 15 9.163 -12.480 2.683 123 HG22 VAL 15 1HG2 VAL 15 10.428 -13.660 2.345 124 HG23 VAL 15 2HG2 VAL 15 9.343 -13.138 1.057 125 H VAL 16 H VAL 16 13.777 -11.691 2.101 126 HA VAL 16 HA VAL 16 14.793 -14.444 2.034 127 HB VAL 16 HB VAL 16 16.184 -12.005 3.138 128 HG11 VAL 16 1HG1 VAL 16 17.082 -14.143 3.875 129 HG12 VAL 16 2HG1 VAL 16 18.208 -13.323 2.794 130 HG13 VAL 16 3HG1 VAL 16 17.234 -14.667 2.199 131 HG21 VAL 16 3HG2 VAL 16 16.337 -13.140 0.348 132 HG22 VAL 16 1HG2 VAL 16 17.366 -11.863 0.995 133 HG23 VAL 16 2HG2 VAL 16 15.633 -11.588 0.806 134 HA PRO 17 HA PRO 17 13.366 -14.805 6.268 135 HB2 PRO 17 1HB PRO 17 14.462 -17.439 6.438 136 HB3 PRO 17 2HB PRO 17 12.786 -16.983 6.132 137 HG2 PRO 17 1HG PRO 17 14.459 -18.227 4.306 138 HG3 PRO 17 2HG PRO 17 12.988 -17.326 3.897 139 HD2 PRO 17 1HD PRO 17 15.844 -16.463 3.761 140 HD3 PRO 17 2HD PRO 17 14.493 -16.088 2.669 141 H ASN 18 H ASN 18 16.268 -13.952 5.505 142 HA ASN 18 HA ASN 18 17.657 -15.054 7.857 143 HB2 ASN 18 1HB ASN 18 18.870 -13.673 5.454 144 HB3 ASN 18 2HB ASN 18 19.750 -14.437 6.768 145 HD21 ASN 18 2HD2 ASN 18 19.903 -14.963 3.958 146 HD22 ASN 18 1HD2 ASN 18 19.497 -16.635 3.734 147 H THR 19 H THR 19 16.360 -12.169 6.539 148 HA THR 19 HA THR 19 17.483 -10.586 8.713 149 HB THR 19 HB THR 19 19.106 -10.335 6.871 150 HG1 THR 19 HG1 THR 19 18.048 -7.852 6.607 151 HG21 THR 19 3HG2 THR 19 17.632 -10.801 4.989 152 HG22 THR 19 1HG2 THR 19 18.446 -9.252 4.766 153 HG23 THR 19 2HG2 THR 19 16.759 -9.296 5.281 154 H VAL 20 H VAL 20 16.517 -8.227 8.471 155 HA VAL 20 HA VAL 20 13.676 -8.444 8.193 156 HB VAL 20 HB VAL 20 15.341 -5.927 8.441 157 HG11 VAL 20 1HG1 VAL 20 12.392 -6.418 8.893 158 HG12 VAL 20 2HG1 VAL 20 13.111 -5.466 7.592 159 HG13 VAL 20 3HG1 VAL 20 13.244 -4.917 9.262 160 HG21 VAL 20 3HG2 VAL 20 13.953 -7.545 10.569 161 HG22 VAL 20 1HG2 VAL 20 14.789 -6.012 10.816 162 HG23 VAL 20 2HG2 VAL 20 15.697 -7.442 10.321 163 H ASN 21 H ASN 21 12.381 -7.582 6.625 164 HA ASN 21 HA ASN 21 13.720 -7.175 4.045 165 HB2 ASN 21 1HB ASN 21 11.147 -8.630 4.671 166 HB3 ASN 21 2HB ASN 21 11.643 -8.190 3.038 167 HD21 ASN 21 2HD2 ASN 21 12.317 -10.182 5.791 168 HD22 ASN 21 1HD2 ASN 21 13.369 -11.297 4.987 169 H THR 22 H THR 22 13.134 -5.462 2.872 170 HA THR 22 HA THR 22 11.199 -3.668 4.160 171 HB THR 22 HB THR 22 13.396 -2.908 2.216 172 HG1 THR 22 HG1 THR 22 13.774 -2.151 4.817 173 HG21 THR 22 3HG2 THR 22 11.764 -1.261 4.153 174 HG22 THR 22 1HG2 THR 22 11.550 -1.301 2.404 175 HG23 THR 22 2HG2 THR 22 13.035 -0.650 3.096 176 H MET 23 H MET 23 9.423 -3.303 3.128 177 HA MET 23 HA MET 23 9.106 -4.579 0.503 178 HB2 MET 23 1HB MET 23 7.038 -4.167 2.673 179 HB3 MET 23 2HB MET 23 6.817 -5.068 1.180 180 HG2 MET 23 1HG MET 23 8.712 -5.795 3.399 181 HG3 MET 23 2HG MET 23 7.138 -6.532 3.104 182 HE1 MET 23 3HE MET 23 7.083 -6.682 -0.071 183 HE2 MET 23 1HE MET 23 6.576 -8.011 0.971 184 HE3 MET 23 2HE MET 23 7.720 -8.303 -0.340 185 H THR 24 H THR 24 8.508 -3.318 -1.134 186 HA THR 24 HA THR 24 7.634 -0.599 -0.437 187 HB THR 24 HB THR 24 9.016 -1.470 -2.983 188 HG1 THR 24 HG1 THR 24 10.211 -0.157 -0.735 189 HG21 THR 24 3HG2 THR 24 7.748 0.615 -3.152 190 HG22 THR 24 1HG2 THR 24 9.481 0.928 -3.228 191 HG23 THR 24 2HG2 THR 24 8.591 1.252 -1.740 192 H ALA 25 H ALA 25 5.741 -0.018 -1.038 193 HA ALA 25 HA ALA 25 4.247 -1.591 -3.014 194 HB1 ALA 25 3HB ALA 25 3.425 -1.985 -0.743 195 HB2 ALA 25 1HB ALA 25 2.233 -1.106 -1.700 196 HB3 ALA 25 2HB ALA 25 3.216 -0.249 -0.511 197 H THR 26 H THR 26 3.258 -0.438 -4.591 198 HA THR 26 HA THR 26 3.875 2.438 -4.540 199 HB THR 26 HB THR 26 3.546 0.676 -6.979 200 HG1 THR 26 HG1 THR 26 6.049 1.608 -6.039 201 HG21 THR 26 3HG2 THR 26 3.208 3.068 -7.379 202 HG22 THR 26 1HG2 THR 26 4.698 2.503 -8.135 203 HG23 THR 26 2HG2 THR 26 4.766 3.418 -6.629 204 H ILE 27 H ILE 27 2.257 3.752 -4.542 205 HA ILE 27 HA ILE 27 -0.443 2.742 -5.176 206 HB ILE 27 HB ILE 27 0.119 5.007 -3.273 207 HG12 ILE 27 1HG1 ILE 27 1.411 3.072 -2.446 208 HG13 ILE 27 2HG1 ILE 27 0.072 3.468 -1.380 209 HG21 ILE 27 1HG2 ILE 27 -2.045 4.375 -2.331 210 HG22 ILE 27 2HG2 ILE 27 -2.170 3.065 -3.507 211 HG23 ILE 27 3HG2 ILE 27 -2.159 4.743 -4.052 212 HD11 ILE 27 3HD1 ILE 27 0.406 1.048 -1.699 213 HD12 ILE 27 1HD1 ILE 27 0.039 1.250 -3.412 214 HD13 ILE 27 2HD1 ILE 27 -1.197 1.600 -2.199 215 H GLU 28 H GLU 28 -1.579 3.891 -6.645 216 HA GLU 28 HA GLU 28 -0.547 6.551 -7.395 217 HB2 GLU 28 1HB GLU 28 -1.891 4.551 -9.222 218 HB3 GLU 28 2HB GLU 28 -1.292 6.136 -9.686 219 HG2 GLU 28 1HG GLU 28 0.995 5.372 -9.045 220 HG3 GLU 28 2HG GLU 28 0.325 3.756 -8.820 221 H ASN 29 H ASN 29 -2.000 8.191 -7.519 222 HA ASN 29 HA ASN 29 -4.759 7.576 -6.783 223 HB2 ASN 29 1HB ASN 29 -3.678 9.373 -5.530 224 HB3 ASN 29 2HB ASN 29 -3.336 10.236 -7.028 225 HD21 ASN 29 2HD2 ASN 29 -4.475 12.036 -6.337 226 HD22 ASN 29 1HD2 ASN 29 -6.207 12.071 -6.279 227 H GLN 30 H GLN 30 -5.830 6.886 -8.518 228 HA GLN 30 HA GLN 30 -5.393 8.241 -11.086 229 HB2 GLN 30 1HB GLN 30 -6.735 5.582 -10.574 230 HB3 GLN 30 2HB GLN 30 -6.244 6.237 -12.131 231 HG2 GLN 30 1HG GLN 30 -3.888 6.148 -11.379 232 HG3 GLN 30 2HG GLN 30 -4.426 5.380 -9.888 233 HE21 GLN 30 2HE2 GLN 30 -2.614 4.339 -11.867 234 HE22 GLN 30 1HE2 GLN 30 -3.321 2.882 -12.474 235 H GLY 31 H GLY 31 -6.863 9.658 -9.337 236 HA2 GLY 31 1HA GLY 31 -9.463 9.693 -10.680 237 HA3 GLY 31 2HA GLY 31 -9.440 9.659 -8.917 238 H ASN 32 H ASN 32 -10.520 11.782 -10.521 239 HA ASN 32 HA ASN 32 -8.514 13.856 -10.664 240 HB2 ASN 32 1HB ASN 32 -10.475 13.480 -12.303 241 HB3 ASN 32 2HB ASN 32 -11.459 14.297 -11.093 242 HD21 ASN 32 2HD2 ASN 32 -11.164 16.497 -10.732 243 HD22 ASN 32 1HD2 ASN 32 -10.250 17.490 -11.812 244 H LYS 33 H LYS 33 -8.568 13.148 -8.112 245 HA LYS 33 HA LYS 33 -9.064 15.700 -6.922 246 HB2 LYS 33 1HB LYS 33 -11.270 14.598 -6.555 247 HB3 LYS 33 2HB LYS 33 -10.447 13.300 -5.697 248 HG2 LYS 33 1HG LYS 33 -9.628 14.947 -4.051 249 HG3 LYS 33 2HG LYS 33 -10.544 16.202 -4.888 250 HD2 LYS 33 1HD LYS 33 -12.619 14.984 -4.438 251 HD3 LYS 33 2HD LYS 33 -11.699 13.729 -3.606 252 HE2 LYS 33 1HE LYS 33 -10.922 15.405 -1.980 253 HE3 LYS 33 2HE LYS 33 -11.892 16.628 -2.797 254 HZ1 LYS 33 3HZ LYS 33 -13.031 15.772 -0.858 255 HZ2 LYS 33 1HZ LYS 33 -12.940 14.187 -1.462 256 HZ3 LYS 33 2HZ LYS 33 -13.879 15.352 -2.261 257 H ASP 34 H ASP 34 -7.601 16.061 -5.305 258 HA ASP 34 HA ASP 34 -5.481 14.108 -5.157 259 HB2 ASP 34 1HB ASP 34 -5.705 16.812 -3.818 260 HB3 ASP 34 2HB ASP 34 -4.246 15.834 -3.940 261 H SER 35 H SER 35 -4.946 12.839 -3.492 262 HA SER 35 HA SER 35 -6.777 12.792 -1.214 263 HB2 SER 35 1HB SER 35 -6.388 10.671 -2.427 264 HB3 SER 35 2HB SER 35 -4.666 10.789 -2.065 265 HG SER 35 HG SER 35 -5.325 9.597 -0.420 266 H THR 36 H THR 36 -6.070 13.034 0.884 267 HA THR 36 HA THR 36 -3.421 14.259 1.128 268 HB THR 36 HB THR 36 -5.511 14.317 3.292 269 HG1 THR 36 HG1 THR 36 -6.444 16.082 2.275 270 HG21 THR 36 3HG2 THR 36 -4.444 16.478 3.791 271 HG22 THR 36 1HG2 THR 36 -3.343 16.246 2.434 272 HG23 THR 36 2HG2 THR 36 -3.268 15.165 3.824 273 H SER 37 H SER 37 -4.221 13.469 4.214 274 HA SER 37 HA SER 37 -2.165 11.441 4.190 275 HB2 SER 37 1HB SER 37 -3.647 12.701 6.505 276 HB3 SER 37 2HB SER 37 -2.231 11.655 6.638 277 HG SER 37 HG SER 37 -1.650 13.575 4.900 278 H PHE 38 H PHE 38 -2.730 9.450 3.709 279 HA PHE 38 HA PHE 38 -5.037 8.301 5.134 280 HB2 PHE 38 1HB PHE 38 -5.373 6.757 3.244 281 HB3 PHE 38 2HB PHE 38 -5.566 8.434 2.760 282 HD1 PHE 38 HD1 PHE 38 -3.963 9.491 1.275 283 HD2 PHE 38 HD2 PHE 38 -3.545 5.415 2.421 284 HE1 PHE 38 HE1 PHE 38 -2.367 9.141 -0.564 285 HE2 PHE 38 HE2 PHE 38 -1.945 5.058 0.587 286 HZ PHE 38 HZ PHE 38 -1.354 6.924 -0.909 287 H ASN 39 H ASN 39 -4.819 6.193 5.904 288 HA ASN 39 HA ASN 39 -2.035 5.608 6.611 289 HB2 ASN 39 1HB ASN 39 -4.598 4.429 7.715 290 HB3 ASN 39 2HB ASN 39 -2.982 4.210 8.376 291 HD21 ASN 39 2HD2 ASN 39 -5.616 6.438 7.912 292 HD22 ASN 39 1HD2 ASN 39 -5.098 7.596 9.092 293 H VAL 40 H VAL 40 -0.987 4.200 5.313 294 HA VAL 40 HA VAL 40 -2.588 2.125 4.007 295 HB VAL 40 HB VAL 40 -0.714 3.796 2.936 296 HG11 VAL 40 1HG1 VAL 40 1.168 2.757 4.021 297 HG12 VAL 40 2HG1 VAL 40 1.223 2.443 2.286 298 HG13 VAL 40 3HG1 VAL 40 0.690 1.178 3.395 299 HG21 VAL 40 3HG2 VAL 40 -0.781 2.330 0.973 300 HG22 VAL 40 1HG2 VAL 40 -2.370 2.570 1.698 301 HG23 VAL 40 2HG2 VAL 40 -1.499 1.062 1.964 302 H SER 41 H SER 41 -2.437 0.045 4.589 303 HA SER 41 HA SER 41 -0.418 -0.609 6.631 304 HB2 SER 41 1HB SER 41 -3.255 -1.648 6.431 305 HB3 SER 41 2HB SER 41 -2.084 -2.070 7.681 306 HG SER 41 HG SER 41 -2.243 -0.075 8.534 307 H LEU 42 H LEU 42 0.670 -2.505 6.473 308 HA LEU 42 HA LEU 42 0.103 -4.173 4.129 309 HB2 LEU 42 1HB LEU 42 2.418 -3.368 4.420 310 HB3 LEU 42 2HB LEU 42 2.497 -4.182 5.972 311 HG LEU 42 HG LEU 42 2.181 -6.350 4.822 312 HD11 LEU 42 1HD1 LEU 42 0.975 -5.556 2.865 313 HD12 LEU 42 2HD1 LEU 42 2.415 -6.459 2.392 314 HD13 LEU 42 3HD1 LEU 42 2.414 -4.696 2.313 315 HD21 LEU 42 3HD2 LEU 42 4.408 -6.462 3.834 316 HD22 LEU 42 1HD2 LEU 42 4.419 -5.557 5.349 317 HD23 LEU 42 2HD2 LEU 42 4.488 -4.699 3.808 318 H LEU 43 H LEU 43 -1.236 -5.780 4.489 319 HA LEU 43 HA LEU 43 -1.337 -6.975 7.166 320 HB2 LEU 43 1HB LEU 43 -3.303 -7.210 4.884 321 HB3 LEU 43 2HB LEU 43 -3.502 -7.912 6.477 322 HG LEU 43 HG LEU 43 -3.323 -5.436 7.295 323 HD11 LEU 43 1HD1 LEU 43 -4.169 -5.059 4.436 324 HD12 LEU 43 2HD1 LEU 43 -2.683 -4.463 5.179 325 HD13 LEU 43 3HD1 LEU 43 -4.246 -3.834 5.704 326 HD21 LEU 43 3HD2 LEU 43 -5.297 -6.851 7.523 327 HD22 LEU 43 1HD2 LEU 43 -5.758 -6.481 5.861 328 HD23 LEU 43 2HD2 LEU 43 -5.744 -5.204 7.077 329 H VAL 44 H VAL 44 -0.470 -8.889 7.498 330 HA VAL 44 HA VAL 44 0.240 -10.581 5.221 331 HB VAL 44 HB VAL 44 0.929 -10.855 8.157 332 HG11 VAL 44 1HG1 VAL 44 1.871 -12.452 5.780 333 HG12 VAL 44 2HG1 VAL 44 0.838 -13.033 7.084 334 HG13 VAL 44 3HG1 VAL 44 2.510 -12.584 7.417 335 HG21 VAL 44 3HG2 VAL 44 2.025 -8.954 7.101 336 HG22 VAL 44 1HG2 VAL 44 2.601 -9.995 5.799 337 HG23 VAL 44 2HG2 VAL 44 3.191 -10.232 7.445 338 H ASP 45 H ASP 45 -1.615 -11.495 4.567 339 HA ASP 45 HA ASP 45 -3.342 -12.944 4.462 340 HB2 ASP 45 1HB ASP 45 -1.900 -14.086 6.841 341 HB3 ASP 45 2HB ASP 45 -3.408 -14.788 6.261 342 H GLY 46 H GLY 46 -3.220 -10.561 6.599 343 HA2 GLY 46 1HA GLY 46 -5.691 -9.853 6.957 344 HA3 GLY 46 2HA GLY 46 -5.704 -11.270 7.993 345 H ILE 47 H ILE 47 -2.999 -10.895 8.965 346 HA ILE 47 HA ILE 47 -3.624 -8.989 11.055 347 HB ILE 47 HB ILE 47 -1.000 -10.411 10.763 348 HG12 ILE 47 1HG1 ILE 47 -3.505 -11.543 12.033 349 HG13 ILE 47 2HG1 ILE 47 -2.833 -12.077 10.495 350 HG21 ILE 47 1HG2 ILE 47 -1.017 -10.320 13.213 351 HG22 ILE 47 2HG2 ILE 47 -2.570 -9.487 13.155 352 HG23 ILE 47 3HG2 ILE 47 -1.132 -8.718 12.484 353 HD11 ILE 47 3HD1 ILE 47 -0.815 -12.830 11.638 354 HD12 ILE 47 1HD1 ILE 47 -2.259 -13.601 12.297 355 HD13 ILE 47 2HD1 ILE 47 -1.483 -12.284 13.177 356 H VAL 48 H VAL 48 -2.351 -7.178 11.574 357 HA VAL 48 HA VAL 48 -1.092 -5.986 9.201 358 HB VAL 48 HB VAL 48 -2.009 -4.580 11.715 359 HG11 VAL 48 1HG1 VAL 48 -0.298 -3.367 10.483 360 HG12 VAL 48 2HG1 VAL 48 -1.858 -2.554 10.341 361 HG13 VAL 48 3HG1 VAL 48 -1.241 -3.518 8.999 362 HG21 VAL 48 3HG2 VAL 48 -3.918 -5.594 10.597 363 HG22 VAL 48 1HG2 VAL 48 -3.430 -4.863 9.069 364 HG23 VAL 48 2HG2 VAL 48 -3.948 -3.841 10.408 365 H VAL 49 H VAL 49 1.060 -5.883 9.131 366 HA VAL 49 HA VAL 49 2.540 -6.278 11.624 367 HB VAL 49 HB VAL 49 4.509 -6.697 10.155 368 HG11 VAL 49 1HG1 VAL 49 3.746 -8.899 9.388 369 HG12 VAL 49 2HG1 VAL 49 2.074 -8.402 9.644 370 HG13 VAL 49 3HG1 VAL 49 3.173 -8.536 11.016 371 HG21 VAL 49 3HG2 VAL 49 4.139 -7.080 7.765 372 HG22 VAL 49 1HG2 VAL 49 3.803 -5.406 8.207 373 HG23 VAL 49 2HG2 VAL 49 2.472 -6.530 7.934 374 H ASP 50 H ASP 50 1.979 -3.876 9.170 375 HA ASP 50 HA ASP 50 3.325 -1.879 10.726 376 HB2 ASP 50 1HB ASP 50 5.187 -3.042 9.437 377 HB3 ASP 50 2HB ASP 50 4.452 -2.405 7.971 378 H THR 51 H THR 51 2.487 0.092 10.333 379 HA THR 51 HA THR 51 0.799 0.425 7.940 380 HB THR 51 HB THR 51 0.227 1.459 10.728 381 HG1 THR 51 HG1 THR 51 -0.289 -0.712 10.613 382 HG21 THR 51 3HG2 THR 51 -0.524 3.013 8.986 383 HG22 THR 51 1HG2 THR 51 -1.891 2.251 9.799 384 HG23 THR 51 2HG2 THR 51 -1.401 1.703 8.195 385 H GLN 52 H GLN 52 1.410 2.068 6.714 386 HA GLN 52 HA GLN 52 3.083 4.183 7.912 387 HB2 GLN 52 1HB GLN 52 4.001 2.497 6.106 388 HB3 GLN 52 2HB GLN 52 3.115 3.519 4.987 389 HG2 GLN 52 1HG GLN 52 5.388 4.324 6.785 390 HG3 GLN 52 2HG GLN 52 5.401 4.208 5.029 391 HE21 GLN 52 2HE2 GLN 52 4.222 5.774 3.822 392 HE22 GLN 52 1HE2 GLN 52 3.872 7.325 4.501 393 H THR 53 H THR 53 2.047 6.070 8.010 394 HA THR 53 HA THR 53 -0.373 6.501 6.493 395 HB THR 53 HB THR 53 1.023 8.412 8.377 396 HG1 THR 53 HG1 THR 53 -1.200 7.016 9.271 397 HG21 THR 53 3HG2 THR 53 -0.676 9.443 6.942 398 HG22 THR 53 1HG2 THR 53 -1.215 9.393 8.621 399 HG23 THR 53 2HG2 THR 53 -1.851 8.233 7.454 400 H VAL 54 H VAL 54 -0.201 7.147 4.440 401 HA VAL 54 HA VAL 54 2.105 8.583 3.485 402 HB VAL 54 HB VAL 54 -0.501 7.974 2.070 403 HG11 VAL 54 1HG1 VAL 54 2.174 8.826 0.968 404 HG12 VAL 54 2HG1 VAL 54 0.714 9.815 1.034 405 HG13 VAL 54 3HG1 VAL 54 0.762 8.376 0.013 406 HG21 VAL 54 3HG2 VAL 54 2.128 6.493 2.027 407 HG22 VAL 54 1HG2 VAL 54 0.729 6.129 1.019 408 HG23 VAL 54 2HG2 VAL 54 0.629 5.933 2.769 409 H THR 55 H THR 55 2.355 10.699 3.456 410 HA THR 55 HA THR 55 0.651 12.389 4.866 411 HB THR 55 HB THR 55 2.742 13.226 2.856 412 HG1 THR 55 HG1 THR 55 4.143 13.136 4.713 413 HG21 THR 55 3HG2 THR 55 1.322 15.059 3.676 414 HG22 THR 55 1HG2 THR 55 2.969 15.197 4.290 415 HG23 THR 55 2HG2 THR 55 1.685 14.593 5.338 416 H SER 56 H SER 56 0.983 11.908 1.374 417 HA SER 56 HA SER 56 -1.664 12.717 0.832 418 HB2 SER 56 1HB SER 56 -0.796 14.969 1.294 419 HB3 SER 56 2HB SER 56 0.484 14.731 0.107 420 HG SER 56 HG SER 56 -2.186 14.404 -0.702 421 H LEU 57 H LEU 57 -2.271 12.143 -1.222 422 HA LEU 57 HA LEU 57 -0.122 11.402 -3.083 423 HB2 LEU 57 1HB LEU 57 -1.179 9.387 -2.066 424 HB3 LEU 57 2HB LEU 57 -2.719 9.900 -2.731 425 HG LEU 57 HG LEU 57 -1.918 9.593 -4.988 426 HD11 LEU 57 1HD1 LEU 57 0.324 8.754 -5.457 427 HD12 LEU 57 2HD1 LEU 57 0.724 8.847 -3.742 428 HD13 LEU 57 3HD1 LEU 57 0.389 10.320 -4.650 429 HD21 LEU 57 3HD2 LEU 57 -1.201 7.257 -3.221 430 HD22 LEU 57 1HD2 LEU 57 -1.478 7.176 -4.961 431 HD23 LEU 57 2HD2 LEU 57 -2.794 7.622 -3.881 432 H GLU 58 H GLU 58 -0.191 12.921 -4.546 433 HA GLU 58 HA GLU 58 -2.484 14.492 -5.124 434 HB2 GLU 58 1HB GLU 58 0.134 14.291 -6.620 435 HB3 GLU 58 2HB GLU 58 -1.036 15.600 -6.740 436 HG2 GLU 58 1HG GLU 58 -0.576 16.360 -4.574 437 HG3 GLU 58 2HG GLU 58 0.271 14.876 -4.142 438 H SER 59 H SER 59 -3.390 14.815 -7.263 439 HA SER 59 HA SER 59 -4.369 12.456 -8.426 440 HB2 SER 59 1HB SER 59 -4.263 15.189 -9.722 441 HB3 SER 59 2HB SER 59 -5.426 13.901 -10.038 442 HG SER 59 HG SER 59 -5.107 15.336 -7.600 443 H GLU 60 H GLU 60 -3.416 11.068 -9.728 444 HA GLU 60 HA GLU 60 -2.139 10.129 -11.333 445 HB2 GLU 60 1HB GLU 60 -2.970 12.026 -12.740 446 HB3 GLU 60 2HB GLU 60 -1.532 12.932 -12.292 447 HG2 GLU 60 1HG GLU 60 -0.118 11.485 -13.469 448 HG3 GLU 60 2HG GLU 60 -1.362 10.245 -13.609 449 H ASN 61 H ASN 61 -1.073 11.395 -8.724 450 HA ASN 61 HA ASN 61 1.785 11.172 -9.377 451 HB2 ASN 61 1HB ASN 61 1.044 13.122 -7.989 452 HB3 ASN 61 2HB ASN 61 0.506 11.991 -6.751 453 HD21 ASN 61 2HD2 ASN 61 1.931 12.805 -5.220 454 HD22 ASN 61 1HD2 ASN 61 3.636 12.524 -5.292 455 H SER 62 H SER 62 3.106 9.741 -7.987 456 HA SER 62 HA SER 62 1.532 7.502 -6.906 457 HB2 SER 62 1HB SER 62 2.452 6.943 -9.144 458 HB3 SER 62 2HB SER 62 4.072 7.254 -8.528 459 HG SER 62 HG SER 62 2.261 5.284 -7.585 460 H THR 63 H THR 63 2.332 6.509 -5.114 461 HA THR 63 HA THR 63 4.743 7.683 -3.896 462 HB THR 63 HB THR 63 2.151 6.954 -2.517 463 HG1 THR 63 HG1 THR 63 3.276 9.308 -3.440 464 HG21 THR 63 3HG2 THR 63 4.042 6.355 -1.106 465 HG22 THR 63 1HG2 THR 63 3.224 7.780 -0.463 466 HG23 THR 63 2HG2 THR 63 4.746 7.956 -1.341 467 H ASN 64 H ASN 64 6.225 6.272 -3.257 468 HA ASN 64 HA ASN 64 5.549 3.415 -3.249 469 HB2 ASN 64 1HB ASN 64 8.223 4.830 -3.375 470 HB3 ASN 64 2HB ASN 64 8.023 3.081 -3.329 471 HD21 ASN 64 2HD2 ASN 64 7.608 5.970 -5.226 472 HD22 ASN 64 1HD2 ASN 64 7.356 5.178 -6.749 473 H VAL 65 H VAL 65 5.215 2.470 -1.386 474 HA VAL 65 HA VAL 65 6.080 3.817 1.082 475 HB VAL 65 HB VAL 65 4.105 1.557 0.922 476 HG11 VAL 65 1HG1 VAL 65 4.924 2.135 3.121 477 HG12 VAL 65 2HG1 VAL 65 3.225 2.585 2.965 478 HG13 VAL 65 3HG1 VAL 65 4.479 3.823 2.870 479 HG21 VAL 65 3HG2 VAL 65 2.300 3.248 0.817 480 HG22 VAL 65 1HG2 VAL 65 3.276 3.172 -0.652 481 HG23 VAL 65 2HG2 VAL 65 3.518 4.484 0.504 482 H ASP 66 H ASP 66 7.687 2.930 2.259 483 HA ASP 66 HA ASP 66 8.443 0.144 1.708 484 HB2 ASP 66 1HB ASP 66 9.998 2.318 3.126 485 HB3 ASP 66 2HB ASP 66 10.581 0.689 2.811 486 H PHE 67 H PHE 67 7.595 -1.287 3.024 487 HA PHE 67 HA PHE 67 6.878 -0.577 5.759 488 HB2 PHE 67 1HB PHE 67 6.429 -3.132 4.205 489 HB3 PHE 67 2HB PHE 67 5.814 -2.808 5.820 490 HD1 PHE 67 HD1 PHE 67 4.100 -1.018 6.135 491 HD2 PHE 67 HD2 PHE 67 5.328 -2.356 2.287 492 HE1 PHE 67 HE1 PHE 67 2.065 -0.047 5.152 493 HE2 PHE 67 HE2 PHE 67 3.297 -1.385 1.297 494 HZ PHE 67 HZ PHE 67 1.662 -0.231 2.730 495 H HIS 68 H HIS 68 7.447 -1.983 7.538 496 HA HIS 68 HA HIS 68 10.185 -3.069 7.254 497 HB2 HIS 68 1HB HIS 68 8.818 -2.270 9.833 498 HB3 HIS 68 2HB HIS 68 10.535 -2.542 9.563 499 HD1 HIS 68 HD1 HIS 68 7.799 -0.059 8.730 500 HD2 HIS 68 HD2 HIS 68 11.960 -0.295 8.845 501 HE1 HIS 68 HE1 HIS 68 8.627 2.288 8.360 502 HE2 HIS 68 HE2 HIS 68 11.138 2.140 8.483 503 H TRP 69 H TRP 69 10.158 -5.230 7.070 504 HA TRP 69 HA TRP 69 8.297 -6.725 8.775 505 HB2 TRP 69 1HB TRP 69 7.264 -6.705 6.608 506 HB3 TRP 69 2HB TRP 69 8.775 -7.145 5.820 507 HD1 TRP 69 HD1 TRP 69 7.652 -9.017 8.956 508 HE1 TRP 69 HE1 TRP 69 7.086 -11.443 8.308 509 HE3 TRP 69 HE3 TRP 69 7.930 -8.577 3.869 510 HZ2 TRP 69 HZ2 TRP 69 6.801 -12.964 5.945 511 HZ3 TRP 69 HZ3 TRP 69 7.489 -10.564 2.491 512 HH2 TRP 69 HH2 TRP 69 6.932 -12.709 3.508 513 H THR 70 H THR 70 9.585 -7.693 10.165 514 HA THR 70 HA THR 70 12.132 -8.839 9.383 515 HB THR 70 HB THR 70 10.722 -9.210 12.027 516 HG1 THR 70 HG1 THR 70 10.790 -6.971 11.579 517 HG21 THR 70 3HG2 THR 70 13.642 -9.107 11.256 518 HG22 THR 70 1HG2 THR 70 12.727 -10.561 11.655 519 HG23 THR 70 2HG2 THR 70 13.018 -9.336 12.890 520 H LEU 71 H LEU 71 12.334 -10.876 8.603 521 HA LEU 71 HA LEU 71 10.033 -12.544 8.360 522 HB2 LEU 71 1HB LEU 71 12.572 -12.390 7.139 523 HB3 LEU 71 2HB LEU 71 12.452 -13.993 7.840 524 HG LEU 71 HG LEU 71 11.689 -14.149 5.592 525 HD11 LEU 71 1HD1 LEU 71 10.380 -15.440 7.167 526 HD12 LEU 71 2HD1 LEU 71 9.367 -14.860 5.846 527 HD13 LEU 71 3HD1 LEU 71 9.302 -14.068 7.421 528 HD21 LEU 71 3HD2 LEU 71 11.282 -11.801 5.180 529 HD22 LEU 71 1HD2 LEU 71 9.850 -11.851 6.211 530 HD23 LEU 71 2HD2 LEU 71 9.885 -12.767 4.703 531 H ASP 72 H ASP 72 9.268 -13.915 9.750 532 HA ASP 72 HA ASP 72 10.839 -14.709 12.063 533 HB2 ASP 72 1HB ASP 72 8.715 -15.567 12.938 534 HB3 ASP 72 2HB ASP 72 8.544 -13.901 12.403 535 H GLY 73 H GLY 73 9.131 -16.194 9.335 536 HA2 GLY 73 1HA GLY 73 10.098 -18.011 8.133 537 HA3 GLY 73 2HA GLY 73 10.964 -18.475 9.586 538 H THR 74 H THR 74 7.589 -17.700 9.854 539 HA THR 74 HA THR 74 6.985 -20.362 10.716 540 HB THR 74 HB THR 74 5.131 -18.029 10.190 541 HG1 THR 74 HG1 THR 74 6.140 -17.373 11.954 542 HG21 THR 74 3HG2 THR 74 4.633 -20.621 11.665 543 HG22 THR 74 1HG2 THR 74 3.915 -20.149 10.125 544 HG23 THR 74 2HG2 THR 74 3.521 -19.253 11.593 545 H ALA 75 H ALA 75 6.280 -18.428 7.851 546 HA ALA 75 HA ALA 75 5.522 -20.915 6.466 547 HB1 ALA 75 3HB ALA 75 3.878 -19.669 5.163 548 HB2 ALA 75 1HB ALA 75 4.255 -18.204 6.068 549 HB3 ALA 75 2HB ALA 75 3.512 -19.579 6.884 550 H ASN 76 H ASN 76 5.819 -20.770 4.090 551 HA ASN 76 HA ASN 76 8.267 -19.256 3.493 552 HB2 ASN 76 1HB ASN 76 7.042 -21.662 2.124 553 HB3 ASN 76 2HB ASN 76 8.481 -20.826 1.553 554 HD21 ASN 76 2HD2 ASN 76 10.387 -20.989 2.717 555 HD22 ASN 76 1HD2 ASN 76 10.639 -22.223 3.912 556 H SER 77 H SER 77 5.001 -19.126 3.053 557 HA SER 77 HA SER 77 5.304 -17.106 0.989 558 HB2 SER 77 1HB SER 77 4.772 -19.234 -0.218 559 HB3 SER 77 2HB SER 77 3.280 -19.349 0.714 560 HG SER 77 HG SER 77 3.883 -17.042 -0.795 561 H TYR 78 H TYR 78 4.491 -15.393 1.950 562 HA TYR 78 HA TYR 78 2.100 -15.706 3.643 563 HB2 TYR 78 1HB TYR 78 4.170 -13.508 3.513 564 HB3 TYR 78 2HB TYR 78 2.695 -13.403 4.464 565 HD1 TYR 78 HD2 TYR 78 2.330 -15.210 6.261 566 HD2 TYR 78 HD1 TYR 78 6.090 -14.458 4.427 567 HE1 TYR 78 HE2 TYR 78 3.464 -16.272 8.163 568 HE2 TYR 78 HE1 TYR 78 7.235 -15.520 6.322 569 HH TYR 78 HH TYR 78 6.629 -15.906 8.868 570 H THR 79 H THR 79 0.325 -14.309 3.360 571 HA THR 79 HA THR 79 0.092 -13.277 0.631 572 HB THR 79 HB THR 79 -2.085 -13.392 2.724 573 HG1 THR 79 HG1 THR 79 -1.862 -15.490 2.525 574 HG21 THR 79 3HG2 THR 79 -2.164 -13.334 -0.297 575 HG22 THR 79 1HG2 THR 79 -2.546 -11.985 0.772 576 HG23 THR 79 2HG2 THR 79 -3.566 -13.423 0.769 577 H LEU 80 H LEU 80 1.357 -11.402 0.812 578 HA LEU 80 HA LEU 80 0.773 -9.510 2.908 579 HB2 LEU 80 1HB LEU 80 2.849 -9.823 0.857 580 HB3 LEU 80 2HB LEU 80 2.398 -8.161 1.185 581 HG LEU 80 HG LEU 80 2.894 -8.499 3.575 582 HD11 LEU 80 1HD1 LEU 80 3.833 -11.232 2.718 583 HD12 LEU 80 2HD1 LEU 80 2.450 -10.881 3.752 584 HD13 LEU 80 3HD1 LEU 80 4.081 -10.511 4.307 585 HD21 LEU 80 3HD2 LEU 80 5.138 -9.233 1.703 586 HD22 LEU 80 1HD2 LEU 80 5.330 -8.638 3.353 587 HD23 LEU 80 2HD2 LEU 80 4.608 -7.603 2.120 588 H THR 81 H THR 81 -0.825 -8.191 2.833 589 HA THR 81 HA THR 81 -1.921 -7.406 0.216 590 HB THR 81 HB THR 81 -3.479 -7.618 2.793 591 HG1 THR 81 HG1 THR 81 -2.487 -9.662 1.949 592 HG21 THR 81 3HG2 THR 81 -4.478 -6.231 1.037 593 HG22 THR 81 1HG2 THR 81 -5.408 -7.710 1.281 594 HG23 THR 81 2HG2 THR 81 -4.329 -7.565 -0.108 595 H VAL 82 H VAL 82 -1.590 -5.330 -0.189 596 HA VAL 82 HA VAL 82 -1.146 -3.425 1.962 597 HB VAL 82 HB VAL 82 -1.268 -2.929 -1.020 598 HG11 VAL 82 1HG1 VAL 82 -1.620 -0.919 0.314 599 HG12 VAL 82 2HG1 VAL 82 -0.054 -0.869 -0.496 600 HG13 VAL 82 3HG1 VAL 82 -0.147 -1.251 1.224 601 HG21 VAL 82 3HG2 VAL 82 1.183 -2.964 -0.955 602 HG22 VAL 82 1HG2 VAL 82 0.499 -4.521 -0.487 603 HG23 VAL 82 2HG2 VAL 82 1.129 -3.427 0.746 604 H ASN 83 H ASN 83 -2.915 -2.770 3.017 605 HA ASN 83 HA ASN 83 -5.346 -2.269 1.435 606 HB2 ASN 83 1HB ASN 83 -5.522 -3.734 3.473 607 HB3 ASN 83 2HB ASN 83 -5.100 -2.327 4.446 608 HD21 ASN 83 2HD2 ASN 83 -6.591 -0.634 4.643 609 HD22 ASN 83 1HD2 ASN 83 -8.264 -0.833 4.229 610 H VAL 84 H VAL 84 -5.692 -0.297 0.814 611 HA VAL 84 HA VAL 84 -4.174 1.880 1.936 612 HB VAL 84 HB VAL 84 -6.191 1.872 -0.310 613 HG11 VAL 84 1HG1 VAL 84 -5.929 4.083 0.681 614 HG12 VAL 84 2HG1 VAL 84 -5.205 4.022 -0.928 615 HG13 VAL 84 3HG1 VAL 84 -4.177 3.962 0.505 616 HG21 VAL 84 3HG2 VAL 84 -4.245 0.440 -0.733 617 HG22 VAL 84 1HG2 VAL 84 -3.175 1.797 -0.375 618 HG23 VAL 84 2HG2 VAL 84 -4.243 1.864 -1.778 619 H ASP 85 H ASP 85 -4.818 2.579 3.788 620 HA ASP 85 HA ASP 85 -5.972 3.466 5.481 621 HB2 ASP 85 1HB ASP 85 -6.241 5.223 3.621 622 HB3 ASP 85 2HB ASP 85 -7.908 4.662 3.524 623 HA PRO 86 HA PRO 86 -9.018 0.099 5.815 624 HB2 PRO 86 1HB PRO 86 -8.203 0.394 8.642 625 HB3 PRO 86 2HB PRO 86 -8.252 -1.053 7.631 626 HG2 PRO 86 1HG PRO 86 -5.930 0.085 8.320 627 HG3 PRO 86 2HG PRO 86 -6.165 -0.653 6.724 628 HD2 PRO 86 1HD PRO 86 -6.186 2.238 7.500 629 HD3 PRO 86 2HD PRO 86 -5.498 1.464 6.055 630 H GLU 87 H GLU 87 -8.636 3.132 7.492 631 HA GLU 87 HA GLU 87 -11.212 3.100 8.751 632 HB2 GLU 87 1HB GLU 87 -9.312 5.386 8.178 633 HB3 GLU 87 2HB GLU 87 -10.745 5.494 9.191 634 HG2 GLU 87 1HG GLU 87 -8.367 3.725 9.721 635 HG3 GLU 87 2HG GLU 87 -8.679 5.280 10.493 636 H ASN 88 H ASN 88 -9.880 3.999 5.719 637 HA ASN 88 HA ASN 88 -10.631 4.960 3.835 638 HB2 ASN 88 1HB ASN 88 -12.292 2.982 4.192 639 HB3 ASN 88 2HB ASN 88 -13.453 4.251 4.575 640 HD21 ASN 88 2HD2 ASN 88 -11.301 3.003 2.130 641 HD22 ASN 88 1HD2 ASN 88 -12.066 3.748 0.768 642 H ALA 89 H ALA 89 -10.061 6.755 5.570 643 HA ALA 89 HA ALA 89 -12.201 8.554 6.221 644 HB1 ALA 89 3HB ALA 89 -10.120 8.446 7.531 645 HB2 ALA 89 1HB ALA 89 -10.426 10.072 6.917 646 HB3 ALA 89 2HB ALA 89 -9.223 9.046 6.137 647 H VAL 90 H VAL 90 -10.098 8.014 3.550 648 HA VAL 90 HA VAL 90 -11.214 10.351 2.155 649 HB VAL 90 HB VAL 90 -8.909 8.634 1.226 650 HG11 VAL 90 1HG1 VAL 90 -10.006 9.914 -0.519 651 HG12 VAL 90 2HG1 VAL 90 -8.395 10.557 -0.201 652 HG13 VAL 90 3HG1 VAL 90 -9.816 11.393 0.423 653 HG21 VAL 90 3HG2 VAL 90 -8.783 11.197 2.812 654 HG22 VAL 90 1HG2 VAL 90 -7.408 10.414 2.032 655 HG23 VAL 90 2HG2 VAL 90 -8.257 9.599 3.346 656 H ASN 91 H ASN 91 -13.176 9.563 1.444 657 HA ASN 91 HA ASN 91 -13.642 6.933 0.574 658 HB2 ASN 91 1HB ASN 91 -15.426 8.579 1.206 659 HB3 ASN 91 2HB ASN 91 -15.147 9.400 -0.327 660 HD21 ASN 91 2HD2 ASN 91 -15.121 5.921 0.258 661 HD22 ASN 91 1HD2 ASN 91 -16.488 5.563 -0.738 662 H GLU 92 H GLU 92 -13.419 5.928 -1.334 663 HA GLU 92 HA GLU 92 -12.124 7.453 -3.485 664 HB2 GLU 92 1HB GLU 92 -11.979 4.492 -2.921 665 HB3 GLU 92 2HB GLU 92 -11.051 5.377 -4.124 666 HG2 GLU 92 1HG GLU 92 -9.551 6.084 -2.630 667 HG3 GLU 92 2HG GLU 92 -10.776 6.400 -1.398 668 H GLY 93 H GLY 93 -12.489 6.609 -5.668 669 HA2 GLY 93 1HA GLY 93 -15.162 6.381 -6.438 670 HA3 GLY 93 2HA GLY 93 -13.783 5.936 -7.431 671 H ASN 94 H ASN 94 -13.306 3.845 -7.739 672 HA ASN 94 HA ASN 94 -15.317 1.897 -7.190 673 HB2 ASN 94 1HB ASN 94 -14.032 1.778 -9.241 674 HB3 ASN 94 2HB ASN 94 -12.526 1.666 -8.336 675 HD21 ASN 94 2HD2 ASN 94 -11.905 -0.260 -9.198 676 HD22 ASN 94 1HD2 ASN 94 -12.720 -1.758 -8.887 677 H GLU 95 H GLU 95 -15.568 1.358 -5.069 678 HA GLU 95 HA GLU 95 -13.361 1.154 -3.261 679 HB2 GLU 95 1HB GLU 95 -16.287 0.487 -2.961 680 HB3 GLU 95 2HB GLU 95 -15.121 0.327 -1.655 681 HG2 GLU 95 1HG GLU 95 -14.622 2.726 -1.833 682 HG3 GLU 95 2HG GLU 95 -15.842 2.870 -3.097 683 H SER 96 H SER 96 -12.658 -0.514 -5.162 684 HA SER 96 HA SER 96 -12.677 -3.092 -3.753 685 HB2 SER 96 1HB SER 96 -14.215 -3.172 -5.779 686 HB3 SER 96 2HB SER 96 -12.798 -2.854 -6.778 687 HG SER 96 HG SER 96 -12.671 -4.966 -4.938 688 H ASN 97 H ASN 97 -11.072 -0.612 -4.141 689 HA ASN 97 HA ASN 97 -8.710 -1.498 -5.620 690 HB2 ASN 97 1HB ASN 97 -8.061 0.903 -5.421 691 HB3 ASN 97 2HB ASN 97 -9.618 0.679 -6.215 692 HD21 ASN 97 2HD2 ASN 97 -8.398 2.920 -4.628 693 HD22 ASN 97 1HD2 ASN 97 -9.568 3.290 -3.405 694 H ASN 98 H ASN 98 -9.835 -0.882 -2.409 695 HA ASN 98 HA ASN 98 -7.589 0.161 -1.192 696 HB2 ASN 98 1HB ASN 98 -9.637 -1.646 0.098 697 HB3 ASN 98 2HB ASN 98 -8.558 -0.534 0.934 698 HD21 ASN 98 2HD2 ASN 98 -8.866 1.719 0.659 699 HD22 ASN 98 1HD2 ASN 98 -10.386 2.363 0.119 700 H THR 99 H THR 99 -8.266 -3.212 -1.905 701 HA THR 99 HA THR 99 -5.908 -3.956 -0.328 702 HB THR 99 HB THR 99 -6.936 -6.332 -0.741 703 HG1 THR 99 HG1 THR 99 -9.366 -5.904 -0.625 704 HG21 THR 99 3HG2 THR 99 -8.243 -6.083 1.326 705 HG22 THR 99 1HG2 THR 99 -8.127 -4.330 1.178 706 HG23 THR 99 2HG2 THR 99 -6.672 -5.290 1.443 707 H LEU 100 H LEU 100 -4.107 -4.367 -1.371 708 HA LEU 100 HA LEU 100 -4.231 -5.594 -4.046 709 HB2 LEU 100 1HB LEU 100 -2.838 -3.633 -4.058 710 HB3 LEU 100 2HB LEU 100 -2.003 -4.148 -2.604 711 HG LEU 100 HG LEU 100 -1.081 -6.083 -3.922 712 HD11 LEU 100 1HD1 LEU 100 -2.725 -6.146 -5.705 713 HD12 LEU 100 2HD1 LEU 100 -1.108 -5.900 -6.364 714 HD13 LEU 100 3HD1 LEU 100 -2.227 -4.543 -6.243 715 HD21 LEU 100 3HD2 LEU 100 -0.415 -3.304 -4.879 716 HD22 LEU 100 1HD2 LEU 100 0.607 -4.729 -5.069 717 HD23 LEU 100 2HD2 LEU 100 0.251 -4.107 -3.458 718 H THR 101 H THR 101 -4.307 -7.723 -3.855 719 HA THR 101 HA THR 101 -3.026 -9.042 -1.598 720 HB THR 101 HB THR 101 -4.699 -10.249 -3.811 721 HG1 THR 101 HG1 THR 101 -5.353 -8.862 -1.485 722 HG21 THR 101 3HG2 THR 101 -3.324 -11.884 -2.620 723 HG22 THR 101 1HG2 THR 101 -5.027 -12.088 -2.211 724 HG23 THR 101 2HG2 THR 101 -3.938 -11.291 -1.077 725 H ALA 102 H ALA 102 -0.873 -9.236 -1.905 726 HA ALA 102 HA ALA 102 0.008 -10.497 -4.418 727 HB1 ALA 102 3HB ALA 102 1.566 -8.580 -2.684 728 HB2 ALA 102 1HB ALA 102 0.808 -8.189 -4.228 729 HB3 ALA 102 2HB ALA 102 2.142 -9.342 -4.168 730 H LEU 103 H LEU 103 0.555 -12.536 -4.090 731 HA LEU 103 HA LEU 103 1.311 -13.536 -1.519 732 HB2 LEU 103 1HB LEU 103 1.283 -14.750 -4.270 733 HB3 LEU 103 2HB LEU 103 1.898 -15.616 -2.876 734 HG LEU 103 HG LEU 103 -0.920 -14.587 -3.196 735 HD11 LEU 103 1HD1 LEU 103 -0.426 -16.475 -4.651 736 HD12 LEU 103 2HD1 LEU 103 -1.500 -16.960 -3.338 737 HD13 LEU 103 3HD1 LEU 103 0.213 -17.376 -3.276 738 HD21 LEU 103 3HD2 LEU 103 -0.206 -14.563 -0.873 739 HD22 LEU 103 1HD2 LEU 103 0.360 -16.225 -1.014 740 HD23 LEU 103 2HD2 LEU 103 -1.360 -15.866 -1.149 741 H VAL 104 H VAL 104 3.216 -13.348 -0.638 742 HA VAL 104 HA VAL 104 5.547 -13.061 -2.411 743 HB VAL 104 HB VAL 104 6.709 -11.896 -0.562 744 HG11 VAL 104 1HG1 VAL 104 5.514 -9.768 -0.745 745 HG12 VAL 104 2HG1 VAL 104 4.107 -10.616 -1.388 746 HG13 VAL 104 3HG1 VAL 104 5.617 -10.595 -2.302 747 HG21 VAL 104 3HG2 VAL 104 5.506 -12.773 1.338 748 HG22 VAL 104 1HG2 VAL 104 4.022 -11.990 0.795 749 HG23 VAL 104 2HG2 VAL 104 5.392 -11.012 1.319 750 H GLY 105 H GLY 105 7.203 -14.437 -2.182 751 HA2 GLY 105 1HA GLY 105 6.884 -16.499 -0.091 752 HA3 GLY 105 2HA GLY 105 7.353 -16.882 -1.742 753 H THR 106 H THR 106 8.903 -17.712 0.353 754 HA THR 106 HA THR 106 11.027 -15.911 0.883 755 HB THR 106 HB THR 106 12.250 -17.926 1.680 756 HG1 THR 106 HG1 THR 106 11.637 -19.804 0.949 757 HG21 THR 106 3HG2 THR 106 10.784 -16.734 3.201 758 HG22 THR 106 1HG2 THR 106 10.668 -18.468 3.506 759 HG23 THR 106 2HG2 THR 106 9.388 -17.640 2.613 760 H LEU 107 H LEU 107 13.112 -15.882 0.003 761 HA LEU 107 HA LEU 107 13.134 -15.701 -2.744 762 HB2 LEU 107 1HB LEU 107 14.682 -14.478 -1.361 763 HB3 LEU 107 2HB LEU 107 15.458 -15.965 -0.849 764 HG LEU 107 HG LEU 107 16.250 -16.345 -3.148 765 HD11 LEU 107 1HD1 LEU 107 15.021 -13.653 -3.725 766 HD12 LEU 107 2HD1 LEU 107 14.472 -15.206 -4.358 767 HD13 LEU 107 3HD1 LEU 107 16.053 -14.574 -4.819 768 HD21 LEU 107 3HD2 LEU 107 17.906 -14.550 -3.200 769 HD22 LEU 107 1HD2 LEU 107 17.674 -15.164 -1.563 770 HD23 LEU 107 2HD2 LEU 107 16.946 -13.629 -2.042 771 H GLU 108 H GLU 108 12.642 -17.390 -3.978 772 HA GLU 108 HA GLU 108 14.066 -19.896 -3.789 773 HB2 GLU 108 1HB GLU 108 11.645 -19.476 -4.658 774 HB3 GLU 108 2HB GLU 108 12.428 -18.968 -6.144 775 HG2 GLU 108 1HG GLU 108 12.920 -21.653 -4.897 776 HG3 GLU 108 2HG GLU 108 11.603 -21.354 -6.028 777 H HIS 109 H HIS 109 15.928 -20.365 -4.847 778 HA HIS 109 HA HIS 109 17.458 -18.089 -5.630 779 HB2 HIS 109 1HB HIS 109 18.154 -20.278 -4.374 780 HB3 HIS 109 2HB HIS 109 18.422 -20.899 -5.997 781 HD1 HIS 109 HD1 HIS 109 20.192 -19.373 -3.348 782 HD2 HIS 109 HD2 HIS 109 20.234 -18.932 -7.481 783 HE1 HIS 109 HE1 HIS 109 22.395 -18.296 -3.889 784 HE2 HIS 109 HE2 HIS 109 22.302 -17.846 -6.368 785 H HIS 110 H HIS 110 15.671 -20.463 -7.429 786 HA HIS 110 HA HIS 110 17.253 -20.062 -9.835 787 HB2 HIS 110 1HB HIS 110 14.711 -21.641 -9.408 788 HB3 HIS 110 2HB HIS 110 15.642 -21.609 -10.900 789 HD1 HIS 110 HD1 HIS 110 15.609 -23.027 -7.465 790 HD2 HIS 110 HD2 HIS 110 18.050 -23.077 -10.829 791 HE1 HIS 110 HE1 HIS 110 17.271 -24.879 -7.074 792 HE2 HIS 110 HE2 HIS 110 18.886 -24.703 -9.003 793 H HIS 111 H HIS 111 13.724 -19.844 -9.303 794 HA HIS 111 HA HIS 111 13.596 -18.013 -11.562 795 HB2 HIS 111 1HB HIS 111 11.505 -19.476 -9.970 796 HB3 HIS 111 2HB HIS 111 11.069 -18.198 -11.099 797 HD1 HIS 111 HD1 HIS 111 9.782 -20.016 -12.499 798 HD2 HIS 111 HD2 HIS 111 13.898 -20.560 -12.259 799 HE1 HIS 111 HE1 HIS 111 10.356 -21.664 -14.304 800 HE2 HIS 111 HE2 HIS 111 12.873 -21.790 -14.288 801 H HIS 112 H HIS 112 13.608 -15.924 -11.376 802 HA HIS 112 HA HIS 112 12.627 -14.704 -8.872 803 HB2 HIS 112 1HB HIS 112 14.642 -13.580 -10.839 804 HB3 HIS 112 2HB HIS 112 14.078 -12.779 -9.379 805 HD1 HIS 112 HD1 HIS 112 14.386 -15.801 -7.896 806 HD2 HIS 112 HD2 HIS 112 17.247 -13.365 -9.681 807 HE1 HIS 112 HE1 HIS 112 16.578 -16.455 -6.857 808 HE2 HIS 112 HE2 HIS 112 18.308 -15.008 -7.983 809 H HIS 113 H HIS 113 11.618 -12.530 -9.211 810 HA HIS 113 HA HIS 113 10.236 -12.413 -11.800 811 HB2 HIS 113 1HB HIS 113 8.837 -12.430 -9.695 812 HB3 HIS 113 2HB HIS 113 9.543 -10.873 -9.283 813 HD1 HIS 113 HD1 HIS 113 6.863 -12.436 -11.261 814 HD2 HIS 113 HD2 HIS 113 8.788 -8.745 -11.105 815 HE1 HIS 113 HE1 HIS 113 5.380 -10.835 -12.514 816 HE2 HIS 113 HE2 HIS 113 6.655 -8.665 -12.573 817 H HIS 114 H HIS 114 12.244 -11.677 -12.704 818 HA HIS 114 HA HIS 114 12.468 -8.873 -12.938 819 HB2 HIS 114 1HB HIS 114 13.521 -9.096 -10.706 820 HB3 HIS 114 2HB HIS 114 14.679 -10.238 -11.373 821 HD1 HIS 114 HD1 HIS 114 13.811 -6.585 -11.343 822 HD2 HIS 114 HD2 HIS 114 16.817 -9.098 -12.747 823 HE1 HIS 114 HE1 HIS 114 15.695 -5.071 -12.041 824 HE2 HIS 114 HE2 HIS 114 17.573 -6.621 -12.693
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